----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:40:48]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.774975840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.427279199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058130339999999 Atomic positions (fractional): *1 O 0.99218040644869 0.62076186306562 0.72481326031802 15.999 2 O 0.49218040644869 0.87923813693438 0.77518673968198 15.999 3 O 0.50781959355131 0.37923813693438 0.22481326031802 15.999 4 O 0.00781959355131 0.12076186306562 0.27518673968198 15.999 5 O 0.00781959355131 0.37923813693438 0.27518673968198 15.999 6 O 0.50781959355131 0.12076186306562 0.22481326031802 15.999 7 O 0.49218040644869 0.62076186306562 0.77518673968198 15.999 8 O 0.99218040644869 0.87923813693438 0.72481326031802 15.999 *9 O 0.34423404651420 0.25000000000000 0.60825585748629 15.999 10 O 0.65576595348580 0.75000000000000 0.39174414251371 15.999 11 O 0.15576595348580 0.75000000000000 0.10825585748629 15.999 12 O 0.84423404651420 0.25000000000000 0.89174414251371 15.999 *13 K 0.23364445490523 0.41217319795668 0.88707819716919 39.098 14 K 0.76635554509477 0.58782680204332 0.11292180283081 39.098 15 K 0.23364445490523 0.08782680204332 0.88707819716919 39.098 16 K 0.73364445490523 0.41217319795668 0.61292180283081 39.098 17 K 0.26635554509477 0.58782680204332 0.38707819716919 39.098 18 K 0.76635554509477 0.91217319795668 0.11292180283081 39.098 19 K 0.73364445490523 0.08782680204332 0.61292180283081 39.098 20 K 0.26635554509477 0.91217319795668 0.38707819716919 39.098 *21 Sn 0.73064357855487 0.75000000000000 0.65978730579922 118.710 22 Sn 0.23064357855487 0.75000000000000 0.84021269420078 118.710 23 Sn 0.76935642144513 0.25000000000000 0.15978730579922 118.710 24 Sn 0.26935642144513 0.25000000000000 0.34021269420078 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.774975840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.427279199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058130339999999 Atomic positions (fractional): *1 O 0.99218040644869 0.62076186306562 0.72481326031802 15.999 > 1 2 O 0.49218040644869 0.87923813693438 0.77518673968198 15.999 > 2 3 O 0.50781959355131 0.37923813693438 0.22481326031802 15.999 > 3 4 O 0.00781959355131 0.12076186306562 0.27518673968198 15.999 > 4 5 O 0.00781959355131 0.37923813693438 0.27518673968198 15.999 > 5 6 O 0.50781959355131 0.12076186306562 0.22481326031802 15.999 > 6 7 O 0.49218040644869 0.62076186306562 0.77518673968198 15.999 > 7 8 O 0.99218040644869 0.87923813693438 0.72481326031802 15.999 > 8 *9 O 0.34423404651420 0.25000000000000 0.60825585748629 15.999 > 9 10 O 0.65576595348580 0.75000000000000 0.39174414251371 15.999 > 10 11 O 0.15576595348580 0.75000000000000 0.10825585748629 15.999 > 11 12 O 0.84423404651420 0.25000000000000 0.89174414251371 15.999 > 12 *13 K 0.23364445490523 0.41217319795668 0.88707819716919 39.098 > 13 14 K 0.76635554509477 0.58782680204332 0.11292180283081 39.098 > 14 15 K 0.23364445490523 0.08782680204332 0.88707819716919 39.098 > 15 16 K 0.73364445490523 0.41217319795668 0.61292180283081 39.098 > 16 17 K 0.26635554509477 0.58782680204332 0.38707819716919 39.098 > 17 18 K 0.76635554509477 0.91217319795668 0.11292180283081 39.098 > 18 19 K 0.73364445490523 0.08782680204332 0.61292180283081 39.098 > 19 20 K 0.26635554509477 0.91217319795668 0.38707819716919 39.098 > 20 *21 Sn 0.73064357855487 0.75000000000000 0.65978730579922 118.710 > 21 22 Sn 0.23064357855487 0.75000000000000 0.84021269420078 118.710 > 22 23 Sn 0.76935642144513 0.25000000000000 0.15978730579922 118.710 > 23 24 Sn 0.26935642144513 0.25000000000000 0.34021269420078 118.710 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.549951679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.427279199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116260679999998 Atomic positions (fractional): *1 O 0.49609020322434 0.62076186306562 0.36240663015901 15.999 > 1 2 O 0.99609020322434 0.62076186306562 0.36240663015901 15.999 > 1 3 O 0.49609020322434 0.62076186306562 0.86240663015901 15.999 > 1 4 O 0.99609020322434 0.62076186306562 0.86240663015901 15.999 > 1 5 O 0.24609020322434 0.87923813693438 0.38759336984099 15.999 > 2 6 O 0.74609020322434 0.87923813693438 0.38759336984099 15.999 > 2 7 O 0.24609020322434 0.87923813693438 0.88759336984099 15.999 > 2 8 O 0.74609020322434 0.87923813693438 0.88759336984099 15.999 > 2 9 O 0.25390979677566 0.37923813693438 0.11240663015901 15.999 > 3 10 O 0.75390979677566 0.37923813693438 0.11240663015901 15.999 > 3 11 O 0.25390979677566 0.37923813693438 0.61240663015901 15.999 > 3 12 O 0.75390979677566 0.37923813693438 0.61240663015901 15.999 > 3 13 O 0.00390979677566 0.12076186306562 0.13759336984099 15.999 > 4 14 O 0.50390979677566 0.12076186306562 0.13759336984099 15.999 > 4 15 O 0.00390979677566 0.12076186306562 0.63759336984099 15.999 > 4 16 O 0.50390979677566 0.12076186306562 0.63759336984099 15.999 > 4 17 O 0.00390979677566 0.37923813693438 0.13759336984099 15.999 > 5 18 O 0.50390979677566 0.37923813693438 0.13759336984099 15.999 > 5 19 O 0.00390979677566 0.37923813693438 0.63759336984099 15.999 > 5 20 O 0.50390979677566 0.37923813693438 0.63759336984099 15.999 > 5 21 O 0.25390979677566 0.12076186306562 0.11240663015901 15.999 > 6 22 O 0.75390979677566 0.12076186306562 0.11240663015901 15.999 > 6 23 O 0.25390979677566 0.12076186306562 0.61240663015901 15.999 > 6 24 O 0.75390979677566 0.12076186306562 0.61240663015901 15.999 > 6 25 O 0.24609020322434 0.62076186306562 0.38759336984099 15.999 > 7 26 O 0.74609020322434 0.62076186306562 0.38759336984099 15.999 > 7 27 O 0.24609020322434 0.62076186306562 0.88759336984099 15.999 > 7 28 O 0.74609020322434 0.62076186306562 0.88759336984099 15.999 > 7 29 O 0.49609020322434 0.87923813693438 0.36240663015901 15.999 > 8 30 O 0.99609020322434 0.87923813693438 0.36240663015901 15.999 > 8 31 O 0.49609020322434 0.87923813693438 0.86240663015901 15.999 > 8 32 O 0.99609020322434 0.87923813693438 0.86240663015901 15.999 > 8 *33 O 0.17211702325710 0.25000000000000 0.30412792874314 15.999 > 9 34 O 0.67211702325710 0.25000000000000 0.30412792874314 15.999 > 9 35 O 0.17211702325710 0.25000000000000 0.80412792874314 15.999 > 9 36 O 0.67211702325710 0.25000000000000 0.80412792874314 15.999 > 9 37 O 0.32788297674290 0.75000000000000 0.19587207125686 15.999 > 10 38 O 0.82788297674290 0.75000000000000 0.19587207125686 15.999 > 10 39 O 0.32788297674290 0.75000000000000 0.69587207125686 15.999 > 10 40 O 0.82788297674290 0.75000000000000 0.69587207125686 15.999 > 10 41 O 0.07788297674290 0.75000000000000 0.05412792874314 15.999 > 11 42 O 0.57788297674290 0.75000000000000 0.05412792874314 15.999 > 11 43 O 0.07788297674290 0.75000000000000 0.55412792874314 15.999 > 11 44 O 0.57788297674290 0.75000000000000 0.55412792874314 15.999 > 11 45 O 0.42211702325710 0.25000000000000 0.44587207125686 15.999 > 12 46 O 0.92211702325710 0.25000000000000 0.44587207125686 15.999 > 12 47 O 0.42211702325710 0.25000000000000 0.94587207125686 15.999 > 12 48 O 0.92211702325710 0.25000000000000 0.94587207125686 15.999 > 12 *49 K 0.11682222745261 0.41217319795668 0.44353909858459 39.098 > 13 50 K 0.61682222745261 0.41217319795668 0.44353909858459 39.098 > 13 51 K 0.11682222745261 0.41217319795668 0.94353909858459 39.098 > 13 52 K 0.61682222745261 0.41217319795668 0.94353909858459 39.098 > 13 53 K 0.38317777254739 0.58782680204332 0.05646090141541 39.098 > 14 54 K 0.88317777254739 0.58782680204332 0.05646090141541 39.098 > 14 55 K 0.38317777254739 0.58782680204332 0.55646090141541 39.098 > 14 56 K 0.88317777254739 0.58782680204332 0.55646090141541 39.098 > 14 57 K 0.11682222745261 0.08782680204332 0.44353909858459 39.098 > 15 58 K 0.61682222745261 0.08782680204332 0.44353909858459 39.098 > 15 59 K 0.11682222745261 0.08782680204332 0.94353909858459 39.098 > 15 60 K 0.61682222745261 0.08782680204332 0.94353909858459 39.098 > 15 61 K 0.36682222745261 0.41217319795668 0.30646090141541 39.098 > 16 62 K 0.86682222745261 0.41217319795668 0.30646090141541 39.098 > 16 63 K 0.36682222745261 0.41217319795668 0.80646090141541 39.098 > 16 64 K 0.86682222745261 0.41217319795668 0.80646090141541 39.098 > 16 65 K 0.13317777254739 0.58782680204332 0.19353909858459 39.098 > 17 66 K 0.63317777254739 0.58782680204332 0.19353909858459 39.098 > 17 67 K 0.13317777254739 0.58782680204332 0.69353909858459 39.098 > 17 68 K 0.63317777254739 0.58782680204332 0.69353909858459 39.098 > 17 69 K 0.38317777254739 0.91217319795668 0.05646090141541 39.098 > 18 70 K 0.88317777254739 0.91217319795668 0.05646090141541 39.098 > 18 71 K 0.38317777254739 0.91217319795668 0.55646090141541 39.098 > 18 72 K 0.88317777254739 0.91217319795668 0.55646090141541 39.098 > 18 73 K 0.36682222745261 0.08782680204332 0.30646090141541 39.098 > 19 74 K 0.86682222745261 0.08782680204332 0.30646090141541 39.098 > 19 75 K 0.36682222745261 0.08782680204332 0.80646090141541 39.098 > 19 76 K 0.86682222745261 0.08782680204332 0.80646090141541 39.098 > 19 77 K 0.13317777254739 0.91217319795668 0.19353909858459 39.098 > 20 78 K 0.63317777254739 0.91217319795668 0.19353909858459 39.098 > 20 79 K 0.13317777254739 0.91217319795668 0.69353909858459 39.098 > 20 80 K 0.63317777254739 0.91217319795668 0.69353909858459 39.098 > 20 *81 Sn 0.36532178927744 0.75000000000000 0.32989365289961 118.710 > 21 82 Sn 0.86532178927744 0.75000000000000 0.32989365289961 118.710 > 21 83 Sn 0.36532178927744 0.75000000000000 0.82989365289961 118.710 > 21 84 Sn 0.86532178927744 0.75000000000000 0.82989365289961 118.710 > 21 85 Sn 0.11532178927744 0.75000000000000 0.42010634710039 118.710 > 22 86 Sn 0.61532178927744 0.75000000000000 0.42010634710039 118.710 > 22 87 Sn 0.11532178927744 0.75000000000000 0.92010634710039 118.710 > 22 88 Sn 0.61532178927744 0.75000000000000 0.92010634710039 118.710 > 22 89 Sn 0.38467821072256 0.25000000000000 0.07989365289961 118.710 > 23 90 Sn 0.88467821072256 0.25000000000000 0.07989365289961 118.710 > 23 91 Sn 0.38467821072256 0.25000000000000 0.57989365289961 118.710 > 23 92 Sn 0.88467821072256 0.25000000000000 0.57989365289961 118.710 > 23 93 Sn 0.13467821072256 0.25000000000000 0.17010634710039 118.710 > 24 94 Sn 0.63467821072256 0.25000000000000 0.17010634710039 118.710 > 24 95 Sn 0.13467821072256 0.25000000000000 0.67010634710039 118.710 > 24 96 Sn 0.63467821072256 0.25000000000000 0.67010634710039 118.710 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5572178 0.0000000 0.0000000 0.0000000 2.9703913 0.0000000 0.0000000 0.0000000 3.0487958 -------------------------- Born effective charges -------------------------- 1 O -2.3828744 0.0271325 -0.4315396 0.0327751 -1.7053965 -0.0727293 -0.3212245 -0.0723960 -1.4246254 2 O -2.3828744 -0.0271325 0.4315396 -0.0327751 -1.7053965 -0.0727293 0.3212245 -0.0723960 -1.4246254 3 O -2.3828744 0.0271325 0.4315396 0.0327751 -1.7053965 0.0727293 0.3212245 0.0723960 -1.4246254 4 O -2.3828744 -0.0271325 -0.4315396 -0.0327751 -1.7053965 0.0727293 -0.3212245 0.0723960 -1.4246254 5 O -2.3828744 0.0271325 -0.4315396 0.0327751 -1.7053965 -0.0727293 -0.3212245 -0.0723960 -1.4246254 6 O -2.3828744 -0.0271325 0.4315396 -0.0327751 -1.7053965 -0.0727293 0.3212245 -0.0723960 -1.4246254 7 O -2.3828744 0.0271325 0.4315396 0.0327751 -1.7053965 0.0727293 0.3212245 0.0723960 -1.4246254 8 O -2.3828744 -0.0271325 -0.4315396 -0.0327751 -1.7053965 0.0727293 -0.3212245 0.0723960 -1.4246254 9 O -1.5849659 -0.0000000 0.0447105 0.0000000 -1.4182811 0.0000000 -0.1065087 0.0000000 -2.2280128 10 O -1.5849659 -0.0000000 0.0447105 0.0000000 -1.4182811 0.0000000 -0.1065087 0.0000000 -2.2280128 11 O -1.5849659 -0.0000000 -0.0447105 0.0000000 -1.4182811 0.0000000 0.1065087 0.0000000 -2.2280128 12 O -1.5849659 -0.0000000 -0.0447105 0.0000000 -1.4182811 0.0000000 0.1065087 0.0000000 -2.2280128 13 K 1.1153696 0.0428967 0.0321868 0.0465463 1.2705649 -0.1126756 -0.0755948 -0.0402441 1.2082264 14 K 1.1153696 0.0428967 0.0321868 0.0465463 1.2705649 -0.1126756 -0.0755948 -0.0402441 1.2082264 15 K 1.1153696 -0.0428967 0.0321868 -0.0465463 1.2705649 0.1126756 -0.0755948 0.0402441 1.2082264 16 K 1.1153696 0.0428967 -0.0321868 0.0465463 1.2705649 0.1126756 0.0755948 0.0402441 1.2082264 17 K 1.1153696 0.0428967 -0.0321868 0.0465463 1.2705649 0.1126756 0.0755948 0.0402441 1.2082264 18 K 1.1153696 -0.0428967 0.0321868 -0.0465463 1.2705649 0.1126756 -0.0755948 0.0402441 1.2082264 19 K 1.1153696 -0.0428967 -0.0321868 -0.0465463 1.2705649 -0.1126756 0.0755948 -0.0402441 1.2082264 20 K 1.1153696 -0.0428967 -0.0321868 -0.0465463 1.2705649 -0.1126756 0.0755948 -0.0402441 1.2082264 21 Sn 4.1199754 -0.0000000 -0.1852548 0.0000000 2.2879443 0.0000000 0.0772226 0.0000000 2.6608107 22 Sn 4.1199754 -0.0000000 0.1852548 0.0000000 2.2879443 0.0000000 -0.0772226 0.0000000 2.6608107 23 Sn 4.1199754 -0.0000000 0.1852548 0.0000000 2.2879443 0.0000000 -0.0772226 0.0000000 2.6608107 24 Sn 4.1199754 -0.0000000 -0.1852548 0.0000000 2.2879443 0.0000000 0.0772226 0.0000000 2.6608107 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 1384 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.544 Solver_block: 200 / 400 - Time: 1.539 Solver_block: 300 / 400 - Time: 1.535 Solver_block: 400 / 400 - Time: 2.224 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.090 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 1384 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:41:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:41:18]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.774975840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.427279199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058130339999999 Atomic positions (fractional): 1 O 0.99218040644869 0.62076186306562 0.72481326031802 15.999 2 O 0.49218040644869 0.87923813693438 0.77518673968198 15.999 3 O 0.50781959355131 0.37923813693438 0.22481326031802 15.999 4 O 0.00781959355131 0.12076186306562 0.27518673968198 15.999 5 O 0.00781959355131 0.37923813693438 0.27518673968198 15.999 6 O 0.50781959355131 0.12076186306562 0.22481326031802 15.999 7 O 0.49218040644869 0.62076186306562 0.77518673968198 15.999 8 O 0.99218040644869 0.87923813693438 0.72481326031802 15.999 9 O 0.34423404651420 0.25000000000000 0.60825585748629 15.999 10 O 0.65576595348580 0.75000000000000 0.39174414251371 15.999 11 O 0.15576595348580 0.75000000000000 0.10825585748629 15.999 12 O 0.84423404651420 0.25000000000000 0.89174414251371 15.999 13 K 0.23364445490523 0.41217319795668 0.88707819716919 39.098 14 K 0.76635554509477 0.58782680204332 0.11292180283081 39.098 15 K 0.23364445490523 0.08782680204332 0.88707819716919 39.098 16 K 0.73364445490523 0.41217319795668 0.61292180283081 39.098 17 K 0.26635554509477 0.58782680204332 0.38707819716919 39.098 18 K 0.76635554509477 0.91217319795668 0.11292180283081 39.098 19 K 0.73364445490523 0.08782680204332 0.61292180283081 39.098 20 K 0.26635554509477 0.91217319795668 0.38707819716919 39.098 21 Sn 0.73064357855487 0.75000000000000 0.65978730579922 118.710 22 Sn 0.23064357855487 0.75000000000000 0.84021269420078 118.710 23 Sn 0.76935642144513 0.25000000000000 0.15978730579922 118.710 24 Sn 0.26935642144513 0.25000000000000 0.34021269420078 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.549951679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.427279199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116260679999998 Atomic positions (fractional): 1 O 0.49609020322434 0.62076186306562 0.36240663015901 15.999 > 1 2 O 0.99609020322434 0.62076186306562 0.36240663015901 15.999 > 1 3 O 0.49609020322434 0.62076186306562 0.86240663015901 15.999 > 1 4 O 0.99609020322434 0.62076186306562 0.86240663015901 15.999 > 1 5 O 0.24609020322434 0.87923813693438 0.38759336984099 15.999 > 5 6 O 0.74609020322434 0.87923813693438 0.38759336984099 15.999 > 5 7 O 0.24609020322434 0.87923813693438 0.88759336984099 15.999 > 5 8 O 0.74609020322434 0.87923813693438 0.88759336984099 15.999 > 5 9 O 0.25390979677566 0.37923813693438 0.11240663015901 15.999 > 9 10 O 0.75390979677566 0.37923813693438 0.11240663015901 15.999 > 9 11 O 0.25390979677566 0.37923813693438 0.61240663015901 15.999 > 9 12 O 0.75390979677566 0.37923813693438 0.61240663015901 15.999 > 9 13 O 0.00390979677566 0.12076186306562 0.13759336984099 15.999 > 13 14 O 0.50390979677566 0.12076186306562 0.13759336984099 15.999 > 13 15 O 0.00390979677566 0.12076186306562 0.63759336984099 15.999 > 13 16 O 0.50390979677566 0.12076186306562 0.63759336984099 15.999 > 13 17 O 0.00390979677566 0.37923813693438 0.13759336984099 15.999 > 17 18 O 0.50390979677566 0.37923813693438 0.13759336984099 15.999 > 17 19 O 0.00390979677566 0.37923813693438 0.63759336984099 15.999 > 17 20 O 0.50390979677566 0.37923813693438 0.63759336984099 15.999 > 17 21 O 0.25390979677566 0.12076186306562 0.11240663015901 15.999 > 21 22 O 0.75390979677566 0.12076186306562 0.11240663015901 15.999 > 21 23 O 0.25390979677566 0.12076186306562 0.61240663015901 15.999 > 21 24 O 0.75390979677566 0.12076186306562 0.61240663015901 15.999 > 21 25 O 0.24609020322434 0.62076186306562 0.38759336984099 15.999 > 25 26 O 0.74609020322434 0.62076186306562 0.38759336984099 15.999 > 25 27 O 0.24609020322434 0.62076186306562 0.88759336984099 15.999 > 25 28 O 0.74609020322434 0.62076186306562 0.88759336984099 15.999 > 25 29 O 0.49609020322434 0.87923813693438 0.36240663015901 15.999 > 29 30 O 0.99609020322434 0.87923813693438 0.36240663015901 15.999 > 29 31 O 0.49609020322434 0.87923813693438 0.86240663015901 15.999 > 29 32 O 0.99609020322434 0.87923813693438 0.86240663015901 15.999 > 29 33 O 0.17211702325710 0.25000000000000 0.30412792874314 15.999 > 33 34 O 0.67211702325710 0.25000000000000 0.30412792874314 15.999 > 33 35 O 0.17211702325710 0.25000000000000 0.80412792874314 15.999 > 33 36 O 0.67211702325710 0.25000000000000 0.80412792874314 15.999 > 33 37 O 0.32788297674290 0.75000000000000 0.19587207125686 15.999 > 37 38 O 0.82788297674290 0.75000000000000 0.19587207125686 15.999 > 37 39 O 0.32788297674290 0.75000000000000 0.69587207125686 15.999 > 37 40 O 0.82788297674290 0.75000000000000 0.69587207125686 15.999 > 37 41 O 0.07788297674290 0.75000000000000 0.05412792874314 15.999 > 41 42 O 0.57788297674290 0.75000000000000 0.05412792874314 15.999 > 41 43 O 0.07788297674290 0.75000000000000 0.55412792874314 15.999 > 41 44 O 0.57788297674290 0.75000000000000 0.55412792874314 15.999 > 41 45 O 0.42211702325710 0.25000000000000 0.44587207125686 15.999 > 45 46 O 0.92211702325710 0.25000000000000 0.44587207125686 15.999 > 45 47 O 0.42211702325710 0.25000000000000 0.94587207125686 15.999 > 45 48 O 0.92211702325710 0.25000000000000 0.94587207125686 15.999 > 45 49 K 0.11682222745261 0.41217319795668 0.44353909858459 39.098 > 49 50 K 0.61682222745261 0.41217319795668 0.44353909858459 39.098 > 49 51 K 0.11682222745261 0.41217319795668 0.94353909858459 39.098 > 49 52 K 0.61682222745261 0.41217319795668 0.94353909858459 39.098 > 49 53 K 0.38317777254739 0.58782680204332 0.05646090141541 39.098 > 53 54 K 0.88317777254739 0.58782680204332 0.05646090141541 39.098 > 53 55 K 0.38317777254739 0.58782680204332 0.55646090141541 39.098 > 53 56 K 0.88317777254739 0.58782680204332 0.55646090141541 39.098 > 53 57 K 0.11682222745261 0.08782680204332 0.44353909858459 39.098 > 57 58 K 0.61682222745261 0.08782680204332 0.44353909858459 39.098 > 57 59 K 0.11682222745261 0.08782680204332 0.94353909858459 39.098 > 57 60 K 0.61682222745261 0.08782680204332 0.94353909858459 39.098 > 57 61 K 0.36682222745261 0.41217319795668 0.30646090141541 39.098 > 61 62 K 0.86682222745261 0.41217319795668 0.30646090141541 39.098 > 61 63 K 0.36682222745261 0.41217319795668 0.80646090141541 39.098 > 61 64 K 0.86682222745261 0.41217319795668 0.80646090141541 39.098 > 61 65 K 0.13317777254739 0.58782680204332 0.19353909858459 39.098 > 65 66 K 0.63317777254739 0.58782680204332 0.19353909858459 39.098 > 65 67 K 0.13317777254739 0.58782680204332 0.69353909858459 39.098 > 65 68 K 0.63317777254739 0.58782680204332 0.69353909858459 39.098 > 65 69 K 0.38317777254739 0.91217319795668 0.05646090141541 39.098 > 69 70 K 0.88317777254739 0.91217319795668 0.05646090141541 39.098 > 69 71 K 0.38317777254739 0.91217319795668 0.55646090141541 39.098 > 69 72 K 0.88317777254739 0.91217319795668 0.55646090141541 39.098 > 69 73 K 0.36682222745261 0.08782680204332 0.30646090141541 39.098 > 73 74 K 0.86682222745261 0.08782680204332 0.30646090141541 39.098 > 73 75 K 0.36682222745261 0.08782680204332 0.80646090141541 39.098 > 73 76 K 0.86682222745261 0.08782680204332 0.80646090141541 39.098 > 73 77 K 0.13317777254739 0.91217319795668 0.19353909858459 39.098 > 77 78 K 0.63317777254739 0.91217319795668 0.19353909858459 39.098 > 77 79 K 0.13317777254739 0.91217319795668 0.69353909858459 39.098 > 77 80 K 0.63317777254739 0.91217319795668 0.69353909858459 39.098 > 77 81 Sn 0.36532178927744 0.75000000000000 0.32989365289961 118.710 > 81 82 Sn 0.86532178927744 0.75000000000000 0.32989365289961 118.710 > 81 83 Sn 0.36532178927744 0.75000000000000 0.82989365289961 118.710 > 81 84 Sn 0.86532178927744 0.75000000000000 0.82989365289961 118.710 > 81 85 Sn 0.11532178927744 0.75000000000000 0.42010634710039 118.710 > 85 86 Sn 0.61532178927744 0.75000000000000 0.42010634710039 118.710 > 85 87 Sn 0.11532178927744 0.75000000000000 0.92010634710039 118.710 > 85 88 Sn 0.61532178927744 0.75000000000000 0.92010634710039 118.710 > 85 89 Sn 0.38467821072256 0.25000000000000 0.07989365289961 118.710 > 89 90 Sn 0.88467821072256 0.25000000000000 0.07989365289961 118.710 > 89 91 Sn 0.38467821072256 0.25000000000000 0.57989365289961 118.710 > 89 92 Sn 0.88467821072256 0.25000000000000 0.57989365289961 118.710 > 89 93 Sn 0.13467821072256 0.25000000000000 0.17010634710039 118.710 > 93 94 Sn 0.63467821072256 0.25000000000000 0.17010634710039 118.710 > 93 95 Sn 0.13467821072256 0.25000000000000 0.67010634710039 118.710 > 93 96 Sn 0.63467821072256 0.25000000000000 0.67010634710039 118.710 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5572178 0.0000000 0.0000000 0.0000000 2.9703913 0.0000000 0.0000000 0.0000000 3.0487958 -------------------------- Born effective charges -------------------------- 1 O -2.3828744 0.0271325 -0.4315396 0.0327751 -1.7053965 -0.0727293 -0.3212245 -0.0723960 -1.4246254 2 O -2.3828744 -0.0271325 0.4315396 -0.0327751 -1.7053965 -0.0727293 0.3212245 -0.0723960 -1.4246254 3 O -2.3828744 0.0271325 0.4315396 0.0327751 -1.7053965 0.0727293 0.3212245 0.0723960 -1.4246254 4 O -2.3828744 -0.0271325 -0.4315396 -0.0327751 -1.7053965 0.0727293 -0.3212245 0.0723960 -1.4246254 5 O -2.3828744 0.0271325 -0.4315396 0.0327751 -1.7053965 -0.0727293 -0.3212245 -0.0723960 -1.4246254 6 O -2.3828744 -0.0271325 0.4315396 -0.0327751 -1.7053965 -0.0727293 0.3212245 -0.0723960 -1.4246254 7 O -2.3828744 0.0271325 0.4315396 0.0327751 -1.7053965 0.0727293 0.3212245 0.0723960 -1.4246254 8 O -2.3828744 -0.0271325 -0.4315396 -0.0327751 -1.7053965 0.0727293 -0.3212245 0.0723960 -1.4246254 9 O -1.5849659 -0.0000000 0.0447105 0.0000000 -1.4182811 0.0000000 -0.1065087 0.0000000 -2.2280128 10 O -1.5849659 -0.0000000 0.0447105 0.0000000 -1.4182811 0.0000000 -0.1065087 0.0000000 -2.2280128 11 O -1.5849659 -0.0000000 -0.0447105 0.0000000 -1.4182811 0.0000000 0.1065087 0.0000000 -2.2280128 12 O -1.5849659 -0.0000000 -0.0447105 0.0000000 -1.4182811 0.0000000 0.1065087 0.0000000 -2.2280128 13 K 1.1153696 0.0428967 0.0321868 0.0465463 1.2705649 -0.1126756 -0.0755948 -0.0402441 1.2082264 14 K 1.1153696 0.0428967 0.0321868 0.0465463 1.2705649 -0.1126756 -0.0755948 -0.0402441 1.2082264 15 K 1.1153696 -0.0428967 0.0321868 -0.0465463 1.2705649 0.1126756 -0.0755948 0.0402441 1.2082264 16 K 1.1153696 0.0428967 -0.0321868 0.0465463 1.2705649 0.1126756 0.0755948 0.0402441 1.2082264 17 K 1.1153696 0.0428967 -0.0321868 0.0465463 1.2705649 0.1126756 0.0755948 0.0402441 1.2082264 18 K 1.1153696 -0.0428967 0.0321868 -0.0465463 1.2705649 0.1126756 -0.0755948 0.0402441 1.2082264 19 K 1.1153696 -0.0428967 -0.0321868 -0.0465463 1.2705649 -0.1126756 0.0755948 -0.0402441 1.2082264 20 K 1.1153696 -0.0428967 -0.0321868 -0.0465463 1.2705649 -0.1126756 0.0755948 -0.0402441 1.2082264 21 Sn 4.1199754 -0.0000000 -0.1852548 0.0000000 2.2879443 0.0000000 0.0772226 0.0000000 2.6608107 22 Sn 4.1199754 -0.0000000 0.1852548 0.0000000 2.2879443 0.0000000 -0.0772226 0.0000000 2.6608107 23 Sn 4.1199754 -0.0000000 0.1852548 0.0000000 2.2879443 0.0000000 -0.0772226 0.0000000 2.6608107 24 Sn 4.1199754 -0.0000000 -0.1852548 0.0000000 2.2879443 0.0000000 0.0772226 0.0000000 2.6608107 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:41:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:41:33]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.774975840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.427279199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058130339999999 Atomic positions (fractional): 1 O 0.99218040644869 0.62076186306562 0.72481326031802 15.999 2 O 0.49218040644869 0.87923813693438 0.77518673968198 15.999 3 O 0.50781959355131 0.37923813693438 0.22481326031802 15.999 4 O 0.00781959355131 0.12076186306562 0.27518673968198 15.999 5 O 0.00781959355131 0.37923813693438 0.27518673968198 15.999 6 O 0.50781959355131 0.12076186306562 0.22481326031802 15.999 7 O 0.49218040644869 0.62076186306562 0.77518673968198 15.999 8 O 0.99218040644869 0.87923813693438 0.72481326031802 15.999 9 O 0.34423404651420 0.25000000000000 0.60825585748629 15.999 10 O 0.65576595348580 0.75000000000000 0.39174414251371 15.999 11 O 0.15576595348580 0.75000000000000 0.10825585748629 15.999 12 O 0.84423404651420 0.25000000000000 0.89174414251371 15.999 13 K 0.23364445490523 0.41217319795668 0.88707819716919 39.098 14 K 0.76635554509477 0.58782680204332 0.11292180283081 39.098 15 K 0.23364445490523 0.08782680204332 0.88707819716919 39.098 16 K 0.73364445490523 0.41217319795668 0.61292180283081 39.098 17 K 0.26635554509477 0.58782680204332 0.38707819716919 39.098 18 K 0.76635554509477 0.91217319795668 0.11292180283081 39.098 19 K 0.73364445490523 0.08782680204332 0.61292180283081 39.098 20 K 0.26635554509477 0.91217319795668 0.38707819716919 39.098 21 Sn 0.73064357855487 0.75000000000000 0.65978730579922 118.710 22 Sn 0.23064357855487 0.75000000000000 0.84021269420078 118.710 23 Sn 0.76935642144513 0.25000000000000 0.15978730579922 118.710 24 Sn 0.26935642144513 0.25000000000000 0.34021269420078 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.549951679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.427279199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116260679999998 Atomic positions (fractional): 1 O 0.49609020322434 0.62076186306562 0.36240663015901 15.999 > 1 2 O 0.99609020322434 0.62076186306562 0.36240663015901 15.999 > 1 3 O 0.49609020322434 0.62076186306562 0.86240663015901 15.999 > 1 4 O 0.99609020322434 0.62076186306562 0.86240663015901 15.999 > 1 5 O 0.24609020322434 0.87923813693438 0.38759336984099 15.999 > 5 6 O 0.74609020322434 0.87923813693438 0.38759336984099 15.999 > 5 7 O 0.24609020322434 0.87923813693438 0.88759336984099 15.999 > 5 8 O 0.74609020322434 0.87923813693438 0.88759336984099 15.999 > 5 9 O 0.25390979677566 0.37923813693438 0.11240663015901 15.999 > 9 10 O 0.75390979677566 0.37923813693438 0.11240663015901 15.999 > 9 11 O 0.25390979677566 0.37923813693438 0.61240663015901 15.999 > 9 12 O 0.75390979677566 0.37923813693438 0.61240663015901 15.999 > 9 13 O 0.00390979677566 0.12076186306562 0.13759336984099 15.999 > 13 14 O 0.50390979677566 0.12076186306562 0.13759336984099 15.999 > 13 15 O 0.00390979677566 0.12076186306562 0.63759336984099 15.999 > 13 16 O 0.50390979677566 0.12076186306562 0.63759336984099 15.999 > 13 17 O 0.00390979677566 0.37923813693438 0.13759336984099 15.999 > 17 18 O 0.50390979677566 0.37923813693438 0.13759336984099 15.999 > 17 19 O 0.00390979677566 0.37923813693438 0.63759336984099 15.999 > 17 20 O 0.50390979677566 0.37923813693438 0.63759336984099 15.999 > 17 21 O 0.25390979677566 0.12076186306562 0.11240663015901 15.999 > 21 22 O 0.75390979677566 0.12076186306562 0.11240663015901 15.999 > 21 23 O 0.25390979677566 0.12076186306562 0.61240663015901 15.999 > 21 24 O 0.75390979677566 0.12076186306562 0.61240663015901 15.999 > 21 25 O 0.24609020322434 0.62076186306562 0.38759336984099 15.999 > 25 26 O 0.74609020322434 0.62076186306562 0.38759336984099 15.999 > 25 27 O 0.24609020322434 0.62076186306562 0.88759336984099 15.999 > 25 28 O 0.74609020322434 0.62076186306562 0.88759336984099 15.999 > 25 29 O 0.49609020322434 0.87923813693438 0.36240663015901 15.999 > 29 30 O 0.99609020322434 0.87923813693438 0.36240663015901 15.999 > 29 31 O 0.49609020322434 0.87923813693438 0.86240663015901 15.999 > 29 32 O 0.99609020322434 0.87923813693438 0.86240663015901 15.999 > 29 33 O 0.17211702325710 0.25000000000000 0.30412792874314 15.999 > 33 34 O 0.67211702325710 0.25000000000000 0.30412792874314 15.999 > 33 35 O 0.17211702325710 0.25000000000000 0.80412792874314 15.999 > 33 36 O 0.67211702325710 0.25000000000000 0.80412792874314 15.999 > 33 37 O 0.32788297674290 0.75000000000000 0.19587207125686 15.999 > 37 38 O 0.82788297674290 0.75000000000000 0.19587207125686 15.999 > 37 39 O 0.32788297674290 0.75000000000000 0.69587207125686 15.999 > 37 40 O 0.82788297674290 0.75000000000000 0.69587207125686 15.999 > 37 41 O 0.07788297674290 0.75000000000000 0.05412792874314 15.999 > 41 42 O 0.57788297674290 0.75000000000000 0.05412792874314 15.999 > 41 43 O 0.07788297674290 0.75000000000000 0.55412792874314 15.999 > 41 44 O 0.57788297674290 0.75000000000000 0.55412792874314 15.999 > 41 45 O 0.42211702325710 0.25000000000000 0.44587207125686 15.999 > 45 46 O 0.92211702325710 0.25000000000000 0.44587207125686 15.999 > 45 47 O 0.42211702325710 0.25000000000000 0.94587207125686 15.999 > 45 48 O 0.92211702325710 0.25000000000000 0.94587207125686 15.999 > 45 49 K 0.11682222745261 0.41217319795668 0.44353909858459 39.098 > 49 50 K 0.61682222745261 0.41217319795668 0.44353909858459 39.098 > 49 51 K 0.11682222745261 0.41217319795668 0.94353909858459 39.098 > 49 52 K 0.61682222745261 0.41217319795668 0.94353909858459 39.098 > 49 53 K 0.38317777254739 0.58782680204332 0.05646090141541 39.098 > 53 54 K 0.88317777254739 0.58782680204332 0.05646090141541 39.098 > 53 55 K 0.38317777254739 0.58782680204332 0.55646090141541 39.098 > 53 56 K 0.88317777254739 0.58782680204332 0.55646090141541 39.098 > 53 57 K 0.11682222745261 0.08782680204332 0.44353909858459 39.098 > 57 58 K 0.61682222745261 0.08782680204332 0.44353909858459 39.098 > 57 59 K 0.11682222745261 0.08782680204332 0.94353909858459 39.098 > 57 60 K 0.61682222745261 0.08782680204332 0.94353909858459 39.098 > 57 61 K 0.36682222745261 0.41217319795668 0.30646090141541 39.098 > 61 62 K 0.86682222745261 0.41217319795668 0.30646090141541 39.098 > 61 63 K 0.36682222745261 0.41217319795668 0.80646090141541 39.098 > 61 64 K 0.86682222745261 0.41217319795668 0.80646090141541 39.098 > 61 65 K 0.13317777254739 0.58782680204332 0.19353909858459 39.098 > 65 66 K 0.63317777254739 0.58782680204332 0.19353909858459 39.098 > 65 67 K 0.13317777254739 0.58782680204332 0.69353909858459 39.098 > 65 68 K 0.63317777254739 0.58782680204332 0.69353909858459 39.098 > 65 69 K 0.38317777254739 0.91217319795668 0.05646090141541 39.098 > 69 70 K 0.88317777254739 0.91217319795668 0.05646090141541 39.098 > 69 71 K 0.38317777254739 0.91217319795668 0.55646090141541 39.098 > 69 72 K 0.88317777254739 0.91217319795668 0.55646090141541 39.098 > 69 73 K 0.36682222745261 0.08782680204332 0.30646090141541 39.098 > 73 74 K 0.86682222745261 0.08782680204332 0.30646090141541 39.098 > 73 75 K 0.36682222745261 0.08782680204332 0.80646090141541 39.098 > 73 76 K 0.86682222745261 0.08782680204332 0.80646090141541 39.098 > 73 77 K 0.13317777254739 0.91217319795668 0.19353909858459 39.098 > 77 78 K 0.63317777254739 0.91217319795668 0.19353909858459 39.098 > 77 79 K 0.13317777254739 0.91217319795668 0.69353909858459 39.098 > 77 80 K 0.63317777254739 0.91217319795668 0.69353909858459 39.098 > 77 81 Sn 0.36532178927744 0.75000000000000 0.32989365289961 118.710 > 81 82 Sn 0.86532178927744 0.75000000000000 0.32989365289961 118.710 > 81 83 Sn 0.36532178927744 0.75000000000000 0.82989365289961 118.710 > 81 84 Sn 0.86532178927744 0.75000000000000 0.82989365289961 118.710 > 81 85 Sn 0.11532178927744 0.75000000000000 0.42010634710039 118.710 > 85 86 Sn 0.61532178927744 0.75000000000000 0.42010634710039 118.710 > 85 87 Sn 0.11532178927744 0.75000000000000 0.92010634710039 118.710 > 85 88 Sn 0.61532178927744 0.75000000000000 0.92010634710039 118.710 > 85 89 Sn 0.38467821072256 0.25000000000000 0.07989365289961 118.710 > 89 90 Sn 0.88467821072256 0.25000000000000 0.07989365289961 118.710 > 89 91 Sn 0.38467821072256 0.25000000000000 0.57989365289961 118.710 > 89 92 Sn 0.88467821072256 0.25000000000000 0.57989365289961 118.710 > 89 93 Sn 0.13467821072256 0.25000000000000 0.17010634710039 118.710 > 93 94 Sn 0.63467821072256 0.25000000000000 0.17010634710039 118.710 > 93 95 Sn 0.13467821072256 0.25000000000000 0.67010634710039 118.710 > 93 96 Sn 0.63467821072256 0.25000000000000 0.67010634710039 118.710 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5572178 0.0000000 0.0000000 0.0000000 2.9703913 0.0000000 0.0000000 0.0000000 3.0487958 -------------------------- Born effective charges -------------------------- 1 O -2.3828744 0.0271325 -0.4315396 0.0327751 -1.7053965 -0.0727293 -0.3212245 -0.0723960 -1.4246254 2 O -2.3828744 -0.0271325 0.4315396 -0.0327751 -1.7053965 -0.0727293 0.3212245 -0.0723960 -1.4246254 3 O -2.3828744 0.0271325 0.4315396 0.0327751 -1.7053965 0.0727293 0.3212245 0.0723960 -1.4246254 4 O -2.3828744 -0.0271325 -0.4315396 -0.0327751 -1.7053965 0.0727293 -0.3212245 0.0723960 -1.4246254 5 O -2.3828744 0.0271325 -0.4315396 0.0327751 -1.7053965 -0.0727293 -0.3212245 -0.0723960 -1.4246254 6 O -2.3828744 -0.0271325 0.4315396 -0.0327751 -1.7053965 -0.0727293 0.3212245 -0.0723960 -1.4246254 7 O -2.3828744 0.0271325 0.4315396 0.0327751 -1.7053965 0.0727293 0.3212245 0.0723960 -1.4246254 8 O -2.3828744 -0.0271325 -0.4315396 -0.0327751 -1.7053965 0.0727293 -0.3212245 0.0723960 -1.4246254 9 O -1.5849659 -0.0000000 0.0447105 0.0000000 -1.4182811 0.0000000 -0.1065087 0.0000000 -2.2280128 10 O -1.5849659 -0.0000000 0.0447105 0.0000000 -1.4182811 0.0000000 -0.1065087 0.0000000 -2.2280128 11 O -1.5849659 -0.0000000 -0.0447105 0.0000000 -1.4182811 0.0000000 0.1065087 0.0000000 -2.2280128 12 O -1.5849659 -0.0000000 -0.0447105 0.0000000 -1.4182811 0.0000000 0.1065087 0.0000000 -2.2280128 13 K 1.1153696 0.0428967 0.0321868 0.0465463 1.2705649 -0.1126756 -0.0755948 -0.0402441 1.2082264 14 K 1.1153696 0.0428967 0.0321868 0.0465463 1.2705649 -0.1126756 -0.0755948 -0.0402441 1.2082264 15 K 1.1153696 -0.0428967 0.0321868 -0.0465463 1.2705649 0.1126756 -0.0755948 0.0402441 1.2082264 16 K 1.1153696 0.0428967 -0.0321868 0.0465463 1.2705649 0.1126756 0.0755948 0.0402441 1.2082264 17 K 1.1153696 0.0428967 -0.0321868 0.0465463 1.2705649 0.1126756 0.0755948 0.0402441 1.2082264 18 K 1.1153696 -0.0428967 0.0321868 -0.0465463 1.2705649 0.1126756 -0.0755948 0.0402441 1.2082264 19 K 1.1153696 -0.0428967 -0.0321868 -0.0465463 1.2705649 -0.1126756 0.0755948 -0.0402441 1.2082264 20 K 1.1153696 -0.0428967 -0.0321868 -0.0465463 1.2705649 -0.1126756 0.0755948 -0.0402441 1.2082264 21 Sn 4.1199754 -0.0000000 -0.1852548 0.0000000 2.2879443 0.0000000 0.0772226 0.0000000 2.6608107 22 Sn 4.1199754 -0.0000000 0.1852548 0.0000000 2.2879443 0.0000000 -0.0772226 0.0000000 2.6608107 23 Sn 4.1199754 -0.0000000 0.1852548 0.0000000 2.2879443 0.0000000 -0.0772226 0.0000000 2.6608107 24 Sn 4.1199754 -0.0000000 -0.1852548 0.0000000 2.2879443 0.0000000 0.0772226 0.0000000 2.6608107 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 7 ] 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: 0.55, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 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 1.660 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.117 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 14.273 ( 0.000 0.000 0.000) 0.000 15.645 ( 0.000 0.000 0.000) 0.000 15.713 ( 0.000 0.000 0.000) 0.000 15.795 ( 0.000 0.000 0.000) 0.000 15.836 ( 0.000 0.000 0.000) 0.000 15.916 ( 0.000 0.000 0.000) 0.000 16.424 ( 0.000 0.000 0.000) 0.000 16.744 ( 0.000 0.000 0.000) 0.000 16.796 ( 0.000 0.000 0.000) 0.000 16.881 ( 0.000 0.000 0.000) 0.000 19.269 ( 0.000 0.000 0.000) 0.000 19.293 ( 0.000 0.000 0.000) 0.000 19.859 ( 0.000 0.000 0.000) 0.000 20.041 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 17.470 0.000 0.000) 17.470 0.529 ( 27.279 0.000 0.000) 27.279 1.133 ( 52.580 0.000 0.000) 52.580 1.785 ( 4.994 0.000 0.000) 4.994 1.902 ( 12.227 0.000 0.000) 12.227 1.906 ( -0.029 0.000 0.000) 0.029 2.011 ( 29.827 0.000 0.000) 29.827 2.133 ( 13.379 0.000 0.000) 13.379 2.547 ( -3.634 0.000 0.000) 3.634 2.741 ( -2.469 0.000 0.000) 2.469 2.790 ( -4.637 0.000 0.000) 4.637 2.957 ( -1.009 0.000 0.000) 1.009 3.019 ( 13.805 0.000 0.000) 13.805 3.151 ( -1.096 0.000 0.000) 1.096 3.155 ( 15.714 0.000 0.000) 15.714 3.360 ( 10.928 0.000 0.000) 10.928 3.372 ( -0.307 0.000 0.000) 0.307 3.546 ( -1.970 0.000 0.000) 1.970 3.576 ( -9.865 0.000 0.000) 9.865 3.582 ( 2.828 0.000 0.000) 2.828 3.675 ( 3.528 0.000 0.000) 3.528 3.742 ( -10.852 0.000 0.000) 10.852 3.922 ( -9.371 0.000 0.000) 9.371 4.041 ( -0.505 0.000 0.000) 0.505 4.222 ( -0.501 0.000 0.000) 0.501 4.292 ( 6.481 0.000 0.000) 6.481 4.304 ( 9.520 0.000 0.000) 9.520 4.370 ( 0.274 0.000 0.000) 0.274 4.485 ( 3.146 0.000 0.000) 3.146 4.494 ( -3.195 0.000 0.000) 3.195 4.527 ( -5.859 0.000 0.000) 5.859 4.656 ( -1.686 0.000 0.000) 1.686 4.850 ( 6.215 0.000 0.000) 6.215 4.857 ( -0.895 0.000 0.000) 0.895 4.974 ( 4.727 0.000 0.000) 4.727 5.196 ( -0.849 0.000 0.000) 0.849 5.470 ( 1.660 0.000 0.000) 1.660 5.551 ( -1.854 0.000 0.000) 1.854 5.569 ( -5.267 0.000 0.000) 5.267 5.762 ( 5.716 0.000 0.000) 5.716 6.285 ( -2.159 0.000 0.000) 2.159 6.327 ( -0.655 0.000 0.000) 0.655 7.061 ( -4.100 0.000 0.000) 4.100 7.098 ( -3.218 0.000 0.000) 3.218 7.583 ( -3.135 0.000 0.000) 3.135 7.593 ( -7.881 0.000 0.000) 7.881 7.706 ( 21.216 0.000 0.000) 21.216 8.289 ( -15.822 0.000 0.000) 15.822 8.418 ( -16.263 0.000 0.000) 16.263 8.675 ( 4.295 0.000 0.000) 4.295 9.215 ( 5.085 0.000 0.000) 5.085 9.565 ( 1.702 0.000 0.000) 1.702 11.311 ( 21.467 0.000 0.000) 21.467 11.374 ( 24.418 0.000 0.000) 24.418 11.769 ( 9.558 0.000 0.000) 9.558 12.060 ( 12.445 0.000 0.000) 12.445 13.313 ( 26.219 0.000 0.000) 26.219 14.211 ( -6.332 0.000 0.000) 6.332 15.572 ( -7.517 0.000 0.000) 7.517 15.648 ( -6.859 0.000 0.000) 6.859 15.681 ( -11.574 0.000 0.000) 11.574 15.852 ( 1.683 0.000 0.000) 1.683 15.925 ( 0.945 0.000 0.000) 0.945 16.357 ( -2.181 0.000 0.000) 2.181 16.437 ( 0.474 0.000 0.000) 0.474 16.785 ( -1.288 0.000 0.000) 1.288 16.842 ( -1.902 0.000 0.000) 1.902 16.884 ( 0.264 0.000 0.000) 0.264 19.287 ( 1.871 0.000 0.000) 1.871 19.314 ( 2.201 0.000 0.000) 2.201 19.842 ( -1.820 0.000 0.000) 1.820 20.062 ( -2.806 0.000 0.000) 2.806 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 18.908 0.000 0.000) 18.908 1.044 ( 26.013 0.000 0.000) 26.013 1.832 ( 17.327 0.000 0.000) 17.327 1.915 ( 0.920 0.000 0.000) 0.920 1.917 ( 8.486 0.000 0.000) 8.486 2.151 ( 11.962 0.000 0.000) 11.962 2.392 ( 12.701 0.000 0.000) 12.701 2.445 ( 7.219 0.000 0.000) 7.219 2.449 ( -6.270 0.000 0.000) 6.270 2.698 ( -0.943 0.000 0.000) 0.943 2.950 ( 25.615 0.000 0.000) 25.615 3.101 ( -4.362 0.000 0.000) 4.362 3.106 ( -2.627 0.000 0.000) 2.627 3.142 ( 20.410 0.000 0.000) 20.410 3.272 ( -18.484 0.000 0.000) 18.484 3.402 ( -6.968 0.000 0.000) 6.968 3.473 ( -5.958 0.000 0.000) 5.958 3.478 ( 10.372 0.000 0.000) 10.372 3.578 ( -8.266 0.000 0.000) 8.266 3.637 ( 3.406 0.000 0.000) 3.406 3.640 ( -8.191 0.000 0.000) 8.191 3.680 ( 32.811 0.000 0.000) 32.811 3.890 ( 6.525 0.000 0.000) 6.525 4.084 ( 5.648 0.000 0.000) 5.648 4.194 ( -1.792 0.000 0.000) 1.792 4.270 ( -8.491 0.000 0.000) 8.491 4.473 ( 10.086 0.000 0.000) 10.086 4.490 ( 2.885 0.000 0.000) 2.885 4.498 ( 9.253 0.000 0.000) 9.253 4.499 ( -1.555 0.000 0.000) 1.555 4.534 ( 10.182 0.000 0.000) 10.182 4.649 ( 0.919 0.000 0.000) 0.919 4.848 ( 0.916 0.000 0.000) 0.916 4.975 ( 5.847 0.000 0.000) 5.847 5.016 ( -0.158 0.000 0.000) 0.158 5.182 ( -0.378 0.000 0.000) 0.378 5.347 ( -6.816 0.000 0.000) 6.816 5.501 ( -3.337 0.000 0.000) 3.337 5.714 ( 13.742 0.000 0.000) 13.742 5.916 ( 9.986 0.000 0.000) 9.986 6.221 ( -4.601 0.000 0.000) 4.601 6.297 ( -2.771 0.000 0.000) 2.771 6.956 ( -6.388 0.000 0.000) 6.388 7.011 ( -5.698 0.000 0.000) 5.698 7.416 ( -9.571 0.000 0.000) 9.571 7.492 ( -6.277 0.000 0.000) 6.277 7.892 ( -24.500 0.000 0.000) 24.500 8.021 ( -24.280 0.000 0.000) 24.280 8.172 ( 25.023 0.000 0.000) 25.023 8.790 ( 7.372 0.000 0.000) 7.372 9.287 ( 1.799 0.000 0.000) 1.799 9.574 ( -1.375 0.000 0.000) 1.375 11.887 ( 36.768 0.000 0.000) 36.768 11.984 ( 36.900 0.000 0.000) 36.900 12.028 ( 16.895 0.000 0.000) 16.895 12.394 ( 21.490 0.000 0.000) 21.490 13.985 ( 41.161 0.000 0.000) 41.161 14.036 ( -11.540 0.000 0.000) 11.540 15.356 ( -15.001 0.000 0.000) 15.001 15.372 ( -19.776 0.000 0.000) 19.776 15.443 ( -14.505 0.000 0.000) 14.505 15.900 ( 3.265 0.000 0.000) 3.265 15.950 ( 1.560 0.000 0.000) 1.560 16.310 ( -2.633 0.000 0.000) 2.633 16.418 ( -2.791 0.000 0.000) 2.791 16.731 ( -4.989 0.000 0.000) 4.989 16.814 ( -0.472 0.000 0.000) 0.472 16.890 ( 0.451 0.000 0.000) 0.451 19.339 ( 3.484 0.000 0.000) 3.484 19.377 ( 4.273 0.000 0.000) 4.273 19.791 ( -3.425 0.000 0.000) 3.425 19.984 ( -5.103 0.000 0.000) 5.103 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 20.335 0.000 0.000) 20.335 1.517 ( 22.627 0.000 0.000) 22.627 1.917 ( -2.291 0.000 0.000) 2.291 1.970 ( 2.172 0.000 0.000) 2.172 2.096 ( 9.629 0.000 0.000) 9.629 2.324 ( 5.241 0.000 0.000) 5.241 2.330 ( -4.843 0.000 0.000) 4.843 2.446 ( -2.397 0.000 0.000) 2.397 2.564 ( 5.446 0.000 0.000) 5.446 2.792 ( 11.158 0.000 0.000) 11.158 2.941 ( -14.609 0.000 0.000) 14.609 2.984 ( -7.479 0.000 0.000) 7.479 3.033 ( -3.251 0.000 0.000) 3.251 3.173 ( -14.461 0.000 0.000) 14.461 3.311 ( -3.196 0.000 0.000) 3.196 3.313 ( -10.215 0.000 0.000) 10.215 3.401 ( -9.644 0.000 0.000) 9.644 3.474 ( -8.542 0.000 0.000) 8.542 3.547 ( 26.253 0.000 0.000) 26.253 3.641 ( 5.966 0.000 0.000) 5.966 3.879 ( 20.630 0.000 0.000) 20.630 3.961 ( -4.250 0.000 0.000) 4.250 4.164 ( -1.541 0.000 0.000) 1.541 4.179 ( 4.254 0.000 0.000) 4.254 4.215 ( 12.720 0.000 0.000) 12.720 4.330 ( 26.850 0.000 0.000) 26.850 4.442 ( -4.160 0.000 0.000) 4.160 4.536 ( 1.054 0.000 0.000) 1.054 4.587 ( -0.606 0.000 0.000) 0.606 4.681 ( 2.242 0.000 0.000) 2.242 4.686 ( 9.629 0.000 0.000) 9.629 4.889 ( 20.734 0.000 0.000) 20.734 4.951 ( 9.889 0.000 0.000) 9.889 5.016 ( 4.783 0.000 0.000) 4.783 5.049 ( 1.491 0.000 0.000) 1.491 5.176 ( -0.886 0.000 0.000) 0.886 5.330 ( 7.417 0.000 0.000) 7.417 5.419 ( -5.300 0.000 0.000) 5.300 6.016 ( 17.010 0.000 0.000) 17.010 6.100 ( -8.304 0.000 0.000) 8.304 6.142 ( 13.793 0.000 0.000) 13.793 6.208 ( -6.929 0.000 0.000) 6.929 6.835 ( -5.604 0.000 0.000) 5.604 6.891 ( -6.308 0.000 0.000) 6.308 7.255 ( -6.553 0.000 0.000) 6.553 7.353 ( -7.633 0.000 0.000) 7.633 7.371 ( -29.027 0.000 0.000) 29.027 7.509 ( -28.277 0.000 0.000) 28.277 8.623 ( 21.305 0.000 0.000) 21.305 8.948 ( 8.889 0.000 0.000) 8.889 9.278 ( -2.732 0.000 0.000) 2.732 9.501 ( -6.353 0.000 0.000) 6.353 12.396 ( 20.726 0.000 0.000) 20.726 12.640 ( 38.098 0.000 0.000) 38.098 12.716 ( 37.217 0.000 0.000) 37.217 12.850 ( 24.751 0.000 0.000) 24.751 13.795 ( -11.689 0.000 0.000) 11.689 14.804 ( 41.792 0.000 0.000) 41.792 14.957 ( -22.104 0.000 0.000) 22.104 14.987 ( -23.597 0.000 0.000) 23.597 15.098 ( -20.667 0.000 0.000) 20.667 15.970 ( 2.265 0.000 0.000) 2.265 15.985 ( 3.294 0.000 0.000) 3.294 16.259 ( -2.650 0.000 0.000) 2.650 16.332 ( -5.719 0.000 0.000) 5.719 16.575 ( -11.332 0.000 0.000) 11.332 16.829 ( 1.782 0.000 0.000) 1.782 16.899 ( 0.261 0.000 0.000) 0.261 19.418 ( 4.653 0.000 0.000) 4.653 19.476 ( 5.925 0.000 0.000) 5.925 19.713 ( -4.613 0.000 0.000) 4.613 19.871 ( -6.576 0.000 0.000) 6.576 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 19.196 0.000 0.000) 19.196 1.767 ( -13.275 0.000 0.000) 13.275 1.873 ( 12.781 0.000 0.000) 12.781 1.988 ( -0.756 0.000 0.000) 0.756 2.270 ( 7.975 0.000 0.000) 7.975 2.306 ( 1.911 0.000 0.000) 1.911 2.350 ( -1.506 0.000 0.000) 1.506 2.389 ( -4.172 0.000 0.000) 4.172 2.689 ( 7.390 0.000 0.000) 7.390 2.767 ( -1.750 0.000 0.000) 1.750 2.833 ( -7.752 0.000 0.000) 7.752 2.891 ( -12.920 0.000 0.000) 12.920 2.975 ( 4.867 0.000 0.000) 4.867 3.081 ( 10.667 0.000 0.000) 10.667 3.112 ( -9.722 0.000 0.000) 9.722 3.215 ( -3.114 0.000 0.000) 3.114 3.242 ( -5.738 0.000 0.000) 5.738 3.296 ( -10.293 0.000 0.000) 10.293 3.733 ( 4.395 0.000 0.000) 4.395 3.833 ( -6.352 0.000 0.000) 6.352 3.934 ( 13.993 0.000 0.000) 13.993 4.110 ( -5.021 0.000 0.000) 5.021 4.195 ( 11.055 0.000 0.000) 11.055 4.323 ( 7.439 0.000 0.000) 7.439 4.345 ( -5.891 0.000 0.000) 5.891 4.374 ( 4.124 0.000 0.000) 4.124 4.528 ( -1.647 0.000 0.000) 1.647 4.529 ( -3.373 0.000 0.000) 3.373 4.732 ( 2.796 0.000 0.000) 2.796 4.769 ( -0.162 0.000 0.000) 0.162 4.814 ( 20.760 0.000 0.000) 20.760 4.984 ( 1.981 0.000 0.000) 1.981 5.035 ( -2.474 0.000 0.000) 2.474 5.100 ( -8.682 0.000 0.000) 8.682 5.153 ( 9.464 0.000 0.000) 9.464 5.301 ( -6.589 0.000 0.000) 6.589 5.477 ( 27.050 0.000 0.000) 27.050 5.635 ( 21.131 0.000 0.000) 21.131 5.880 ( -15.248 0.000 0.000) 15.248 6.006 ( -14.912 0.000 0.000) 14.912 6.356 ( 19.164 0.000 0.000) 19.164 6.479 ( 21.760 0.000 0.000) 21.760 6.763 ( -1.373 0.000 0.000) 1.373 6.788 ( -3.794 0.000 0.000) 3.794 6.809 ( -27.904 0.000 0.000) 27.904 6.962 ( -27.681 0.000 0.000) 27.681 7.181 ( -0.859 0.000 0.000) 0.859 7.224 ( -5.071 0.000 0.000) 5.071 8.975 ( 14.786 0.000 0.000) 14.786 9.129 ( 10.081 0.000 0.000) 10.081 9.182 ( -7.316 0.000 0.000) 7.316 9.335 ( -10.477 0.000 0.000) 10.477 12.797 ( 20.054 0.000 0.000) 20.054 13.076 ( -2.046 0.000 0.000) 2.046 13.276 ( 16.202 0.000 0.000) 16.202 13.286 ( 17.566 0.000 0.000) 17.566 13.835 ( 24.124 0.000 0.000) 24.124 14.445 ( -32.263 0.000 0.000) 32.263 14.609 ( -9.882 0.000 0.000) 9.882 14.705 ( -17.354 0.000 0.000) 17.354 15.525 ( 31.525 0.000 0.000) 31.525 15.930 ( -8.796 0.000 0.000) 8.796 16.082 ( 5.805 0.000 0.000) 5.805 16.196 ( -5.327 0.000 0.000) 5.327 16.239 ( -1.422 0.000 0.000) 1.422 16.326 ( -11.556 0.000 0.000) 11.556 16.868 ( 1.900 0.000 0.000) 1.900 16.895 ( -0.787 0.000 0.000) 0.787 19.515 ( 5.260 0.000 0.000) 5.260 19.600 ( 6.915 0.000 0.000) 6.915 19.617 ( -5.245 0.000 0.000) 5.245 19.737 ( -7.157 0.000 0.000) 7.157 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 18.899 0.000) 18.899 0.403 ( 0.000 21.295 0.000) 21.295 0.890 ( 0.000 43.059 0.000) 43.059 1.441 ( 0.000 -12.466 0.000) 12.466 1.573 ( 0.000 -14.691 0.000) 14.691 1.988 ( 0.000 11.424 0.000) 11.424 1.994 ( 0.000 7.448 0.000) 7.448 2.094 ( 0.000 10.237 0.000) 10.237 2.523 ( 0.000 -5.994 0.000) 5.994 2.767 ( 0.000 -3.067 0.000) 3.067 2.801 ( 0.000 0.055 0.000) 0.055 2.893 ( 0.000 4.562 0.000) 4.562 3.006 ( 0.000 1.081 0.000) 1.081 3.032 ( 0.000 -0.934 0.000) 0.934 3.168 ( 0.000 -0.006 0.000) 0.006 3.174 ( 0.000 -12.878 0.000) 12.878 3.236 ( 0.000 7.274 0.000) 7.274 3.366 ( 0.000 -2.538 0.000) 2.538 3.599 ( 0.000 3.481 0.000) 3.481 3.630 ( 0.000 -0.722 0.000) 0.722 3.687 ( 0.000 2.600 0.000) 2.600 3.852 ( 0.000 -3.018 0.000) 3.018 4.037 ( 0.000 -10.335 0.000) 10.335 4.099 ( 0.000 -3.542 0.000) 3.542 4.179 ( 0.000 5.171 0.000) 5.171 4.203 ( 0.000 2.304 0.000) 2.304 4.221 ( 0.000 1.278 0.000) 1.278 4.317 ( 0.000 1.034 0.000) 1.034 4.381 ( 0.000 -0.667 0.000) 0.667 4.450 ( 0.000 1.681 0.000) 1.681 4.569 ( 0.000 -2.260 0.000) 2.260 4.654 ( 0.000 -3.351 0.000) 3.351 4.705 ( 0.000 -5.947 0.000) 5.947 4.756 ( 0.000 -13.389 0.000) 13.389 5.274 ( 0.000 5.859 0.000) 5.859 5.395 ( 0.000 0.667 0.000) 0.667 5.551 ( 0.000 -1.994 0.000) 1.994 5.663 ( 0.000 -3.240 0.000) 3.240 5.740 ( 0.000 6.275 0.000) 6.275 5.786 ( 0.000 8.181 0.000) 8.181 6.309 ( 0.000 0.391 0.000) 0.391 6.331 ( 0.000 -0.119 0.000) 0.119 7.164 ( 0.000 3.550 0.000) 3.550 7.383 ( 0.000 0.471 0.000) 0.471 7.462 ( 0.000 -1.208 0.000) 1.208 7.552 ( 0.000 -5.924 0.000) 5.924 7.709 ( 0.000 3.128 0.000) 3.128 7.918 ( 0.000 -2.071 0.000) 2.071 8.465 ( 0.000 1.365 0.000) 1.365 8.580 ( 0.000 -1.373 0.000) 1.373 9.194 ( 0.000 4.668 0.000) 4.668 9.510 ( 0.000 -3.186 0.000) 3.186 11.111 ( 0.000 0.074 0.000) 0.074 11.117 ( 0.000 -0.065 0.000) 0.065 11.702 ( 0.000 2.695 0.000) 2.695 11.914 ( 0.000 -2.381 0.000) 2.381 13.051 ( 0.000 0.016 0.000) 0.016 13.052 ( 0.000 -0.024 0.000) 0.024 15.652 ( 0.000 0.769 0.000) 0.769 15.708 ( 0.000 -0.543 0.000) 0.543 15.830 ( 0.000 3.568 0.000) 3.568 15.844 ( 0.000 0.745 0.000) 0.745 15.908 ( 0.000 -0.783 0.000) 0.783 16.242 ( 0.000 -8.827 0.000) 8.827 16.545 ( 0.000 6.164 0.000) 6.164 16.735 ( 0.000 -0.967 0.000) 0.967 16.803 ( 0.000 0.704 0.000) 0.704 16.872 ( 0.000 -0.919 0.000) 0.919 19.271 ( 0.000 0.181 0.000) 0.181 19.290 ( 0.000 -0.277 0.000) 0.277 19.877 ( 0.000 1.727 0.000) 1.727 20.024 ( 0.000 -1.774 0.000) 1.774 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 21.285 12.439 0.000) 24.654 0.879 ( 11.314 33.127 0.000) 35.006 1.226 ( 43.013 12.391 0.000) 44.762 1.634 ( 6.141 -13.679 0.000) 14.994 1.750 ( 25.427 -10.016 0.000) 27.329 1.988 ( -0.388 7.353 0.000) 7.363 2.156 ( 15.532 11.646 0.000) 19.413 2.264 ( 14.979 9.008 0.000) 17.479 2.502 ( -2.345 -4.933 0.000) 5.462 2.760 ( -1.254 0.640 0.000) 1.408 2.777 ( -3.260 -0.520 0.000) 3.302 2.892 ( -1.196 -4.457 0.000) 4.615 3.057 ( 14.846 2.007 0.000) 14.981 3.148 ( 7.132 -2.100 0.000) 7.435 3.190 ( 6.653 -11.640 0.000) 13.407 3.219 ( -1.957 6.364 0.000) 6.658 3.345 ( 11.976 -1.548 0.000) 12.076 3.551 ( 9.179 -2.299 0.000) 9.462 3.572 ( -5.781 2.663 0.000) 6.365 3.593 ( -4.149 0.427 0.000) 4.171 3.670 ( -6.141 -1.092 0.000) 6.238 3.749 ( -2.026 2.142 0.000) 2.949 3.922 ( -9.684 -0.350 0.000) 9.691 3.988 ( -1.057 -6.437 0.000) 6.523 4.211 ( 0.747 -0.626 0.000) 0.975 4.288 ( 6.015 -0.657 0.000) 6.051 4.327 ( 4.311 2.751 0.000) 5.114 4.358 ( 1.032 -2.480 0.000) 2.686 4.392 ( 4.241 -1.846 0.000) 4.625 4.460 ( -1.980 -3.784 0.000) 4.271 4.507 ( -3.131 -0.282 0.000) 3.144 4.643 ( -0.368 -1.127 0.000) 1.185 4.779 ( 6.516 -5.882 0.000) 8.778 4.804 ( 1.827 -13.134 0.000) 13.261 5.192 ( -12.046 15.829 0.000) 19.891 5.268 ( -0.419 6.070 0.000) 6.084 5.535 ( -1.600 -1.743 0.000) 2.365 5.555 ( -9.469 4.705 0.000) 10.574 5.612 ( -0.025 5.824 0.000) 5.824 5.764 ( 5.001 0.831 0.000) 5.070 6.292 ( -1.893 0.656 0.000) 2.003 6.326 ( -0.697 -0.173 0.000) 0.718 7.132 ( -3.255 3.522 0.000) 4.796 7.177 ( -7.576 9.263 0.000) 11.967 7.521 ( -3.240 -6.015 0.000) 6.832 7.551 ( -3.106 -3.599 0.000) 4.754 7.771 ( 16.255 5.770 0.000) 17.249 8.304 ( -15.672 1.503 0.000) 15.743 8.411 ( -15.898 -0.842 0.000) 15.920 8.421 ( 18.600 -18.743 0.000) 26.406 9.254 ( 4.441 3.810 0.000) 5.852 9.535 ( 1.809 -3.037 0.000) 3.535 11.325 ( 22.208 1.172 0.000) 22.239 11.382 ( 24.203 0.311 0.000) 24.205 11.799 ( 9.859 2.996 0.000) 10.304 12.034 ( 12.192 -2.637 0.000) 12.474 13.322 ( 27.011 1.123 0.000) 27.034 13.806 ( 32.081 -24.915 0.000) 40.620 15.580 ( -7.449 0.848 0.000) 7.497 15.642 ( -6.912 -0.615 0.000) 6.939 15.718 ( -11.198 3.891 0.000) 11.854 15.859 ( 1.630 0.694 0.000) 1.771 15.918 ( 1.032 -0.705 0.000) 1.249 16.240 ( 0.387 -13.314 0.000) 13.320 16.450 ( -5.151 5.749 0.000) 7.719 16.733 ( -1.934 -5.068 0.000) 5.425 16.793 ( -1.163 0.821 0.000) 1.423 16.873 ( 0.092 -1.067 0.000) 1.071 19.289 ( 1.901 0.209 0.000) 1.913 19.311 ( 2.168 -0.307 0.000) 2.190 19.858 ( -1.878 1.672 0.000) 2.514 20.020 ( -1.557 -2.976 0.000) 3.358 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 10.834 31.749 0.000) 33.546 1.105 ( 23.820 6.364 0.000) 24.656 1.795 ( 10.003 -11.350 0.000) 15.129 1.857 ( 17.377 3.280 0.000) 17.684 1.988 ( 0.528 7.064 0.000) 7.084 2.174 ( 16.152 -4.584 0.000) 16.790 2.370 ( 4.229 6.789 0.000) 7.998 2.432 ( -4.807 -2.584 0.000) 5.457 2.519 ( 6.288 2.500 0.000) 6.766 2.738 ( 0.612 3.418 0.000) 3.472 2.961 ( 23.216 0.357 0.000) 23.219 3.005 ( 6.393 -8.845 0.000) 10.914 3.148 ( 12.051 1.431 0.000) 12.136 3.155 ( -4.949 5.025 0.000) 7.053 3.292 ( -17.509 2.576 0.000) 17.697 3.351 ( 0.923 -2.438 0.000) 2.607 3.473 ( 10.572 -2.011 0.000) 10.762 3.512 ( -6.931 0.491 0.000) 6.949 3.541 ( -7.776 -1.669 0.000) 7.953 3.624 ( 14.898 -1.084 0.000) 14.937 3.639 ( -8.419 1.114 0.000) 8.493 3.691 ( 19.594 0.195 0.000) 19.595 3.918 ( 6.005 1.746 0.000) 6.254 4.021 ( 4.346 -6.902 0.000) 8.156 4.183 ( -3.432 -0.895 0.000) 3.547 4.282 ( -7.464 1.424 0.000) 7.599 4.410 ( -0.055 -5.797 0.000) 5.797 4.414 ( 7.978 -3.832 0.000) 8.851 4.460 ( 11.720 -2.080 0.000) 11.903 4.495 ( -0.867 -2.809 0.000) 2.940 4.562 ( 12.846 0.922 0.000) 12.879 4.666 ( 2.658 2.222 0.000) 3.465 4.808 ( 1.365 -5.748 0.000) 5.908 4.908 ( 5.799 -5.091 0.000) 7.717 5.089 ( -2.423 8.102 0.000) 8.456 5.264 ( 0.029 6.272 0.000) 6.272 5.362 ( -8.128 0.886 0.000) 8.176 5.492 ( -2.828 -1.042 0.000) 3.014 5.750 ( 12.095 3.588 0.000) 12.616 5.910 ( 9.660 -0.590 0.000) 9.678 6.233 ( -4.317 1.207 0.000) 4.482 6.295 ( -2.840 -0.299 0.000) 2.856 7.038 ( -7.307 7.502 0.000) 10.472 7.043 ( -5.829 3.374 0.000) 6.736 7.398 ( -9.392 -2.026 0.000) 9.608 7.427 ( -6.512 -6.201 0.000) 8.992 7.910 ( -24.244 1.835 0.000) 24.313 8.020 ( -23.939 -0.371 0.000) 23.942 8.202 ( 24.064 3.237 0.000) 24.281 8.682 ( 11.388 -9.839 0.000) 15.049 9.314 ( 1.288 2.783 0.000) 3.067 9.547 ( -1.247 -2.783 0.000) 3.049 11.906 ( 36.568 1.734 0.000) 36.609 11.987 ( 36.651 0.072 0.000) 36.651 12.066 ( 17.378 3.774 0.000) 17.783 12.362 ( 21.087 -3.304 0.000) 21.345 13.979 ( 32.344 -0.070 0.000) 32.344 14.040 ( 3.855 -0.096 0.000) 3.856 15.366 ( -14.927 0.985 0.000) 14.960 15.431 ( -17.178 6.205 0.000) 18.265 15.437 ( -14.521 -0.688 0.000) 14.538 15.906 ( 3.146 0.524 0.000) 3.190 15.946 ( 1.766 -0.433 0.000) 1.818 16.256 ( 0.487 -11.827 0.000) 11.837 16.379 ( -2.802 1.075 0.000) 3.001 16.684 ( -1.906 -9.141 0.000) 9.337 16.743 ( -4.557 1.323 0.000) 4.745 16.873 ( -0.148 -1.745 0.000) 1.752 19.342 ( 3.556 0.308 0.000) 3.569 19.373 ( 4.195 -0.412 0.000) 4.215 19.806 ( -3.513 1.528 0.000) 3.831 19.958 ( -4.586 -2.415 0.000) 5.183 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 13.910 22.518 0.000) 26.468 1.545 ( 21.017 3.093 0.000) 21.243 1.949 ( 1.199 -1.597 0.000) 1.997 2.010 ( 2.627 4.476 0.000) 5.190 2.044 ( 8.559 0.078 0.000) 8.559 2.319 ( -1.296 -9.072 0.000) 9.164 2.337 ( -3.891 -0.221 0.000) 3.897 2.434 ( 6.031 8.410 0.000) 10.349 2.619 ( 4.706 2.319 0.000) 5.246 2.810 ( 6.008 -2.910 0.000) 6.675 2.965 ( -13.901 2.912 0.000) 14.203 2.977 ( 0.704 -0.160 0.000) 0.722 3.043 ( -7.825 5.464 0.000) 9.544 3.180 ( -13.227 0.628 0.000) 13.242 3.254 ( -3.249 -4.494 0.000) 5.546 3.323 ( -11.324 -1.679 0.000) 11.447 3.358 ( -10.555 -2.324 0.000) 10.808 3.503 ( -6.940 3.564 0.000) 7.802 3.555 ( 24.933 0.888 0.000) 24.948 3.673 ( 6.443 2.451 0.000) 6.894 3.896 ( 20.301 1.568 0.000) 20.362 3.947 ( -5.313 -2.662 0.000) 5.943 4.138 ( -0.777 -0.741 0.000) 1.074 4.149 ( 9.852 -7.396 0.000) 12.320 4.215 ( 2.860 2.663 0.000) 3.908 4.224 ( 22.090 -11.247 0.000) 24.788 4.403 ( -0.954 -4.151 0.000) 4.259 4.458 ( -2.682 -6.136 0.000) 6.697 4.556 ( 6.052 2.016 0.000) 6.379 4.722 ( 2.518 3.532 0.000) 4.338 4.764 ( 15.456 3.913 0.000) 15.943 4.885 ( 17.043 -1.515 0.000) 17.110 4.918 ( 11.363 -1.089 0.000) 11.415 4.979 ( 1.493 -4.877 0.000) 5.100 5.071 ( 4.207 4.586 0.000) 6.223 5.261 ( -0.878 6.009 0.000) 6.073 5.318 ( 6.379 -1.481 0.000) 6.549 5.424 ( -4.389 0.218 0.000) 4.394 6.030 ( 16.271 1.455 0.000) 16.336 6.116 ( -8.240 1.563 0.000) 8.387 6.129 ( 13.233 -1.183 0.000) 13.286 6.203 ( -7.092 -0.520 0.000) 7.111 6.905 ( -5.935 6.565 0.000) 8.850 6.918 ( -6.812 2.870 0.000) 7.392 7.237 ( -6.688 -2.002 0.000) 6.981 7.269 ( -11.180 -6.632 0.000) 12.999 7.404 ( -26.677 2.395 0.000) 26.784 7.523 ( -26.157 0.525 0.000) 26.163 8.637 ( 20.576 1.518 0.000) 20.632 8.894 ( 10.778 -5.110 0.000) 11.928 9.295 ( -3.260 1.835 0.000) 3.741 9.476 ( -6.182 -2.459 0.000) 6.653 12.443 ( 21.202 4.728 0.000) 21.723 12.651 ( 37.707 1.082 0.000) 37.722 12.715 ( 36.908 -0.241 0.000) 36.909 12.810 ( 24.444 -4.062 0.000) 24.779 13.878 ( -9.917 8.188 0.000) 12.860 14.591 ( 12.613 -13.389 0.000) 18.394 15.000 ( -23.340 1.236 0.000) 23.372 15.090 ( -20.957 -0.874 0.000) 20.976 15.217 ( 5.663 18.304 0.000) 19.160 15.973 ( 2.516 0.332 0.000) 2.538 15.985 ( 3.310 0.016 0.000) 3.310 16.239 ( -2.120 -4.571 0.000) 5.039 16.317 ( -3.893 0.169 0.000) 3.897 16.601 ( -10.445 2.662 0.000) 10.779 16.692 ( 2.701 -12.379 0.000) 12.671 16.863 ( -1.001 -3.521 0.000) 3.661 19.423 ( 4.768 0.492 0.000) 4.794 19.470 ( 5.796 -0.612 0.000) 5.828 19.725 ( -4.740 1.308 0.000) 4.917 19.852 ( -6.257 -1.799 0.000) 6.511 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 13.932 12.693 0.000) 18.847 1.794 ( -3.771 2.692 0.000) 4.633 1.939 ( 6.172 5.507 0.000) 8.271 2.026 ( -1.024 3.748 0.000) 3.885 2.212 ( 6.076 -3.793 0.000) 7.163 2.282 ( -2.038 -5.232 0.000) 5.615 2.345 ( 5.614 2.210 0.000) 6.034 2.464 ( -3.769 5.798 0.000) 6.915 2.728 ( 5.845 2.482 0.000) 6.350 2.780 ( -3.983 2.074 0.000) 4.491 2.881 ( -1.352 -3.089 0.000) 3.372 2.898 ( -6.633 5.735 0.000) 8.768 2.938 ( -2.798 -1.319 0.000) 3.093 3.096 ( -11.741 -2.098 0.000) 11.927 3.122 ( 9.576 5.386 0.000) 10.987 3.166 ( -1.508 -4.513 0.000) 4.758 3.188 ( -5.902 -4.504 0.000) 7.424 3.341 ( -10.074 4.394 0.000) 10.991 3.757 ( 3.502 1.715 0.000) 3.899 3.834 ( -4.964 -0.973 0.000) 5.059 3.908 ( 12.388 -2.473 0.000) 12.633 4.072 ( -5.537 -3.107 0.000) 6.349 4.208 ( 10.841 0.472 0.000) 10.851 4.317 ( 7.106 -7.072 0.000) 10.025 4.334 ( 5.062 0.412 0.000) 5.078 4.354 ( -3.541 0.760 0.000) 3.621 4.409 ( -2.281 -9.709 0.000) 9.973 4.421 ( -0.151 -8.535 0.000) 8.536 4.706 ( 6.187 1.959 0.000) 6.490 4.749 ( 0.113 2.073 0.000) 2.076 4.919 ( 4.404 2.276 0.000) 4.958 4.973 ( -1.677 -4.035 0.000) 4.369 5.039 ( 5.990 5.139 0.000) 7.892 5.145 ( 11.954 -0.368 0.000) 11.960 5.194 ( -6.903 6.151 0.000) 9.246 5.320 ( -6.607 1.395 0.000) 6.753 5.490 ( 26.835 1.252 0.000) 26.864 5.623 ( 21.467 -1.407 0.000) 21.513 5.896 ( -15.412 1.479 0.000) 15.483 5.998 ( -15.135 -0.924 0.000) 15.163 6.361 ( 18.672 0.519 0.000) 18.680 6.449 ( 20.571 -2.368 0.000) 20.707 6.758 ( -15.585 -0.667 0.000) 15.599 6.833 ( -0.878 6.306 0.000) 6.366 6.855 ( -20.713 0.926 0.000) 20.734 6.966 ( -20.908 1.872 0.000) 20.991 7.159 ( -1.018 -2.305 0.000) 2.519 7.207 ( -6.379 -1.871 0.000) 6.648 8.979 ( 14.582 0.491 0.000) 14.591 9.101 ( 10.904 -2.655 0.000) 11.222 9.190 ( -7.796 0.841 0.000) 7.841 9.313 ( -10.423 -2.127 0.000) 10.638 12.851 ( 20.043 5.280 0.000) 20.727 13.107 ( 0.665 2.980 0.000) 3.054 13.237 ( 16.887 -3.994 0.000) 17.353 13.273 ( 16.394 -1.340 0.000) 16.449 13.899 ( 20.585 6.522 0.000) 21.593 14.468 ( -31.255 2.377 0.000) 31.345 14.514 ( -4.762 -8.994 0.000) 10.177 14.679 ( -19.321 -2.650 0.000) 19.502 15.643 ( 25.520 11.166 0.000) 27.856 15.958 ( -5.787 2.660 0.000) 6.370 16.076 ( 5.274 -0.645 0.000) 5.313 16.176 ( -4.593 -2.289 0.000) 5.132 16.259 ( -0.656 2.132 0.000) 2.231 16.363 ( -11.981 4.000 0.000) 12.631 16.763 ( 3.997 -10.297 0.000) 11.045 16.829 ( -2.662 -6.554 0.000) 7.074 19.522 ( 5.402 0.746 0.000) 5.453 19.591 ( 6.734 -0.908 0.000) 6.795 19.627 ( -5.391 1.032 0.000) 5.489 19.724 ( -6.917 -1.302 0.000) 7.039 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 18.462 0.000) 18.462 0.817 ( 0.000 21.749 0.000) 21.749 1.059 ( 0.000 -15.934 0.000) 15.934 1.227 ( 0.000 -20.438 0.000) 20.438 1.802 ( 0.000 39.913 0.000) 39.913 2.169 ( 0.000 10.320 0.000) 10.320 2.174 ( 0.000 7.610 0.000) 7.610 2.223 ( 0.000 0.932 0.000) 0.932 2.367 ( 0.000 -9.778 0.000) 9.778 2.518 ( 0.000 -28.757 0.000) 28.757 2.804 ( 0.000 0.318 0.000) 0.318 2.828 ( 0.000 -3.664 0.000) 3.664 3.013 ( 0.000 1.887 0.000) 1.887 3.024 ( 0.000 0.494 0.000) 0.494 3.177 ( 0.000 1.044 0.000) 1.044 3.177 ( 0.000 4.061 0.000) 4.061 3.385 ( 0.000 10.495 0.000) 10.495 3.398 ( 0.000 8.862 0.000) 8.862 3.555 ( 0.000 -6.918 0.000) 6.918 3.675 ( 0.000 3.676 0.000) 3.676 3.716 ( 0.000 -0.271 0.000) 0.271 3.739 ( 0.000 -20.016 0.000) 20.016 3.877 ( 0.000 5.397 0.000) 5.397 4.001 ( 0.000 -6.387 0.000) 6.387 4.250 ( 0.000 1.500 0.000) 1.500 4.255 ( 0.000 1.847 0.000) 1.847 4.285 ( 0.000 5.733 0.000) 5.733 4.348 ( 0.000 2.755 0.000) 2.755 4.357 ( 0.000 -1.909 0.000) 1.909 4.490 ( 0.000 -12.009 0.000) 12.009 4.502 ( 0.000 3.742 0.000) 3.742 4.534 ( 0.000 -0.218 0.000) 0.218 4.577 ( 0.000 -3.964 0.000) 3.964 4.591 ( 0.000 -5.440 0.000) 5.440 5.392 ( 0.000 5.976 0.000) 5.976 5.465 ( 0.000 5.522 0.000) 5.522 5.491 ( 0.000 -4.194 0.000) 4.194 5.576 ( 0.000 -5.534 0.000) 5.534 5.857 ( 0.000 4.652 0.000) 4.652 5.888 ( 0.000 1.855 0.000) 1.855 6.319 ( 0.000 0.502 0.000) 0.502 6.327 ( 0.000 -0.326 0.000) 0.326 7.264 ( 0.000 6.729 0.000) 6.729 7.401 ( 0.000 1.357 0.000) 1.357 7.411 ( 0.000 -8.123 0.000) 8.123 7.432 ( 0.000 -1.756 0.000) 1.756 7.784 ( 0.000 4.276 0.000) 4.276 7.862 ( 0.000 -3.679 0.000) 3.679 8.501 ( 0.000 2.210 0.000) 2.210 8.544 ( 0.000 -2.215 0.000) 2.215 9.306 ( 0.000 6.437 0.000) 6.437 9.424 ( 0.000 -5.591 0.000) 5.591 11.113 ( 0.000 0.115 0.000) 0.115 11.115 ( 0.000 -0.110 0.000) 0.110 11.770 ( 0.000 4.178 0.000) 4.178 11.851 ( 0.000 -3.986 0.000) 3.986 13.051 ( 0.000 0.030 0.000) 0.030 13.052 ( 0.000 -0.035 0.000) 0.035 15.671 ( 0.000 1.143 0.000) 1.143 15.693 ( 0.000 -1.003 0.000) 1.003 15.863 ( 0.000 1.227 0.000) 1.227 15.888 ( 0.000 -1.251 0.000) 1.251 15.928 ( 0.000 6.548 0.000) 6.548 16.074 ( 0.000 -8.411 0.000) 8.411 16.643 ( 0.000 4.128 0.000) 4.128 16.704 ( 0.000 -2.304 0.000) 2.304 16.822 ( 0.000 1.259 0.000) 1.259 16.848 ( 0.000 -1.392 0.000) 1.392 19.276 ( 0.000 0.339 0.000) 0.339 19.283 ( 0.000 -0.397 0.000) 0.397 19.922 ( 0.000 2.819 0.000) 2.819 19.978 ( 0.000 -2.848 0.000) 2.848 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 13.527 17.846 0.000) 22.393 1.246 ( 35.476 11.578 0.000) 37.317 1.315 ( 8.760 -18.493 0.000) 20.463 1.447 ( 29.852 -7.317 0.000) 30.736 1.867 ( 7.928 32.024 0.000) 32.991 2.164 ( -0.398 10.395 0.000) 10.403 2.347 ( 11.432 0.191 0.000) 11.433 2.360 ( -0.815 -9.375 0.000) 9.410 2.365 ( 13.277 3.282 0.000) 13.677 2.561 ( 6.199 -21.244 0.000) 22.130 2.785 ( -3.053 0.011 0.000) 3.053 2.801 ( -3.215 -1.863 0.000) 3.716 3.054 ( 12.444 1.601 0.000) 12.547 3.088 ( 14.313 -1.185 0.000) 14.362 3.224 ( 1.876 8.556 0.000) 8.759 3.325 ( 8.308 -1.389 0.000) 8.423 3.364 ( -3.336 8.174 0.000) 8.829 3.514 ( -4.035 -6.993 0.000) 8.074 3.542 ( 11.146 3.753 0.000) 11.761 3.642 ( -7.628 3.755 0.000) 8.502 3.682 ( -5.457 0.231 0.000) 5.462 3.765 ( 2.998 -15.778 0.000) 16.061 3.814 ( -1.937 4.272 0.000) 4.690 3.892 ( -5.954 -3.090 0.000) 6.708 4.223 ( -0.390 2.538 0.000) 2.567 4.298 ( 0.927 1.305 0.000) 1.601 4.308 ( -0.087 -5.295 0.000) 5.295 4.320 ( -0.101 -1.108 0.000) 1.113 4.411 ( 5.661 3.645 0.000) 6.733 4.443 ( -4.599 3.471 0.000) 5.761 4.501 ( -4.308 -1.384 0.000) 4.524 4.552 ( 5.181 -11.035 0.000) 12.191 4.627 ( 4.326 0.103 0.000) 4.328 4.671 ( 7.812 -4.526 0.000) 9.029 5.387 ( -0.461 5.817 0.000) 5.835 5.408 ( -6.825 8.322 0.000) 10.763 5.481 ( -1.000 -3.866 0.000) 3.993 5.534 ( -7.109 -4.671 0.000) 8.506 5.757 ( -3.961 5.372 0.000) 6.674 5.793 ( -0.854 0.966 0.000) 1.290 6.307 ( -1.339 0.805 0.000) 1.563 6.319 ( -0.894 -0.501 0.000) 1.025 7.232 ( -3.331 6.709 0.000) 7.490 7.343 ( -5.956 7.521 0.000) 9.594 7.379 ( -3.350 -8.165 0.000) 8.826 7.465 ( -2.942 -5.353 0.000) 6.108 7.911 ( 16.047 8.714 0.000) 18.261 8.114 ( 19.515 -12.874 0.000) 23.379 8.342 ( -15.410 2.278 0.000) 15.578 8.384 ( -15.423 -1.944 0.000) 15.545 9.348 ( 3.189 5.625 0.000) 6.466 9.455 ( 2.244 -5.156 0.000) 5.623 11.350 ( 23.566 1.410 0.000) 23.609 11.375 ( 24.378 -0.991 0.000) 24.398 11.875 ( 10.619 4.640 0.000) 11.589 11.964 ( 11.508 -4.421 0.000) 12.328 13.366 ( 29.727 3.788 0.000) 29.967 13.488 ( 34.749 -9.839 0.000) 36.115 15.602 ( -7.273 1.271 0.000) 7.383 15.625 ( -7.066 -1.126 0.000) 7.155 15.828 ( -9.768 7.567 0.000) 12.356 15.877 ( 1.474 1.126 0.000) 1.854 15.900 ( 1.244 -1.133 0.000) 1.683 16.005 ( -6.132 -10.756 0.000) 12.381 16.563 ( -6.369 5.454 0.000) 8.385 16.654 ( -4.871 -4.049 0.000) 6.334 16.816 ( -0.813 1.463 0.000) 1.674 16.846 ( -0.333 -1.615 0.000) 1.649 19.295 ( 1.982 0.385 0.000) 2.019 19.303 ( 2.084 -0.445 0.000) 2.131 19.903 ( -1.963 2.840 0.000) 3.452 19.961 ( -1.863 -3.134 0.000) 3.646 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 18.799 11.765 0.000) 22.177 1.538 ( 13.640 -14.257 0.000) 19.730 1.661 ( 9.417 25.337 0.000) 27.031 1.936 ( 18.496 -2.279 0.000) 18.635 2.081 ( 8.391 6.011 0.000) 10.321 2.158 ( -0.176 9.817 0.000) 9.818 2.333 ( -2.090 -7.637 0.000) 7.918 2.421 ( 1.630 -16.694 0.000) 16.774 2.528 ( 1.365 6.598 0.000) 6.738 2.647 ( -0.489 -8.181 0.000) 8.196 2.993 ( 19.735 6.223 0.000) 20.693 3.013 ( 26.378 2.179 0.000) 26.468 3.223 ( 3.843 8.186 0.000) 9.043 3.269 ( -7.068 6.444 0.000) 9.565 3.324 ( 1.569 -1.077 0.000) 1.903 3.355 ( -13.305 1.038 0.000) 13.346 3.426 ( 14.374 -0.781 0.000) 14.395 3.445 ( -8.787 -1.798 0.000) 8.969 3.505 ( -11.223 -4.168 0.000) 11.972 3.547 ( 22.353 -8.722 0.000) 23.994 3.710 ( 8.583 2.986 0.000) 9.087 3.745 ( -4.589 8.498 0.000) 9.658 3.832 ( 3.821 -10.232 0.000) 10.923 3.893 ( 0.674 -5.324 0.000) 5.366 4.195 ( -2.234 3.045 0.000) 3.777 4.287 ( -0.182 -5.684 0.000) 5.687 4.335 ( -5.835 3.298 0.000) 6.703 4.383 ( 9.845 0.515 0.000) 9.859 4.414 ( 11.790 -2.316 0.000) 12.015 4.417 ( -3.885 -4.632 0.000) 6.045 4.595 ( 13.021 2.924 0.000) 13.346 4.681 ( 8.885 -6.069 0.000) 10.760 4.728 ( 5.101 3.948 0.000) 6.450 4.812 ( 6.016 -4.734 0.000) 7.655 5.252 ( -7.503 7.397 0.000) 10.536 5.350 ( -9.076 -2.679 0.000) 9.463 5.378 ( -0.511 5.168 0.000) 5.193 5.455 ( -1.666 -2.905 0.000) 3.349 5.830 ( 9.430 4.040 0.000) 10.259 5.888 ( 8.928 -1.947 0.000) 9.138 6.261 ( -3.689 1.451 0.000) 3.964 6.284 ( -3.126 -0.891 0.000) 3.250 7.139 ( -6.164 6.510 0.000) 8.965 7.197 ( -8.315 8.187 0.000) 11.669 7.283 ( -6.508 -8.099 0.000) 10.390 7.329 ( -8.885 -5.291 0.000) 10.341 7.955 ( -23.832 2.559 0.000) 23.969 7.999 ( -23.649 -1.820 0.000) 23.719 8.301 ( 21.399 7.134 0.000) 22.557 8.474 ( 17.331 -10.654 0.000) 20.344 9.386 ( 0.188 4.464 0.000) 4.468 9.475 ( -0.760 -4.455 0.000) 4.520 11.944 ( 36.439 2.060 0.000) 36.498 11.977 ( 36.436 -1.171 0.000) 36.454 12.161 ( 18.591 5.831 0.000) 19.485 12.274 ( 20.003 -5.545 0.000) 20.757 13.993 ( 26.899 1.444 0.000) 26.938 14.024 ( 18.954 -1.464 0.000) 19.011 15.390 ( -14.758 1.467 0.000) 14.831 15.418 ( -14.600 -1.285 0.000) 14.656 15.613 ( -9.675 12.921 0.000) 16.142 15.919 ( 2.792 0.801 0.000) 2.905 15.922 ( -0.066 -18.698 0.000) 18.698 15.934 ( 2.264 -0.743 0.000) 2.382 16.449 ( -5.230 4.786 0.000) 7.089 16.548 ( -5.360 -5.625 0.000) 7.770 16.780 ( -3.332 2.367 0.000) 4.087 16.829 ( -1.643 -2.629 0.000) 3.100 19.351 ( 3.749 0.548 0.000) 3.789 19.362 ( 3.993 -0.612 0.000) 4.039 19.847 ( -3.762 2.680 0.000) 4.619 19.904 ( -4.083 -3.065 0.000) 5.105 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 17.373 6.950 0.000) 18.712 1.775 ( 4.076 22.632 0.000) 22.996 1.803 ( 12.565 -9.362 0.000) 15.669 2.094 ( -2.738 -9.328 0.000) 9.721 2.162 ( 1.003 7.962 0.000) 8.025 2.186 ( 7.923 9.657 0.000) 12.491 2.291 ( -1.374 -4.808 0.000) 5.001 2.506 ( 4.790 -16.414 0.000) 17.098 2.587 ( 5.836 3.918 0.000) 7.029 2.656 ( 2.700 -3.208 0.000) 4.193 3.058 ( -12.522 6.327 0.000) 14.029 3.126 ( -4.226 5.698 0.000) 7.094 3.145 ( -8.925 1.845 0.000) 9.114 3.177 ( -7.080 -2.150 0.000) 7.399 3.243 ( -11.233 -1.975 0.000) 11.405 3.274 ( -0.054 13.184 0.000) 13.184 3.309 ( -10.463 -4.264 0.000) 11.298 3.533 ( 15.520 -6.412 0.000) 16.792 3.633 ( -6.955 9.382 0.000) 11.679 3.716 ( 12.716 2.829 0.000) 13.027 3.825 ( -6.350 -9.453 0.000) 11.387 3.867 ( 11.272 -14.233 0.000) 18.156 3.959 ( 18.931 3.524 0.000) 19.256 4.065 ( 17.163 -6.404 0.000) 18.319 4.168 ( -3.057 3.714 0.000) 4.810 4.253 ( -1.579 -2.297 0.000) 2.788 4.310 ( 1.984 -0.576 0.000) 2.066 4.367 ( -0.617 -3.872 0.000) 3.921 4.647 ( 14.013 5.963 0.000) 15.229 4.754 ( 19.379 -4.506 0.000) 19.896 4.799 ( 2.043 4.378 0.000) 4.831 4.884 ( 11.867 1.665 0.000) 11.984 4.887 ( 1.717 -4.707 0.000) 5.010 4.908 ( 16.690 -0.712 0.000) 16.706 5.172 ( 2.821 5.534 0.000) 6.212 5.266 ( 4.027 -3.943 0.000) 5.636 5.362 ( -1.574 4.097 0.000) 4.389 5.414 ( -2.794 -1.445 0.000) 3.145 6.066 ( 14.411 2.013 0.000) 14.551 6.101 ( 13.048 -1.642 0.000) 13.151 6.152 ( -7.975 1.996 0.000) 8.220 6.185 ( -7.514 -1.352 0.000) 7.635 7.001 ( -8.142 5.680 0.000) 9.927 7.049 ( -6.541 7.520 0.000) 9.966 7.129 ( -9.879 -7.403 0.000) 12.345 7.171 ( -6.816 -4.976 0.000) 8.439 7.459 ( -26.396 3.087 0.000) 26.576 7.510 ( -25.716 -1.887 0.000) 25.785 8.686 ( 18.333 3.768 0.000) 18.716 8.781 ( 14.727 -5.908 0.000) 15.868 9.346 ( -4.451 3.284 0.000) 5.532 9.415 ( -5.562 -3.656 0.000) 6.656 12.563 ( 22.344 7.255 0.000) 23.492 12.677 ( 36.985 1.506 0.000) 37.015 12.703 ( 23.597 -6.839 0.000) 24.568 12.703 ( 36.595 -1.076 0.000) 36.611 14.083 ( -4.907 12.487 0.000) 13.417 14.334 ( 2.486 -13.354 0.000) 13.584 15.031 ( -22.636 1.856 0.000) 22.712 15.066 ( -21.719 -1.636 0.000) 21.781 15.606 ( 10.845 21.734 0.000) 24.290 15.980 ( 2.983 0.330 0.000) 3.001 15.984 ( 3.262 -0.115 0.000) 3.264 16.011 ( 7.122 -18.607 0.000) 19.923 16.363 ( -3.643 3.961 0.000) 5.381 16.473 ( -1.533 -8.326 0.000) 8.466 16.674 ( -7.841 4.805 0.000) 9.196 16.775 ( -4.194 -5.332 0.000) 6.784 19.437 ( 5.075 0.853 0.000) 5.146 19.454 ( 5.467 -0.927 0.000) 5.545 19.761 ( -5.111 2.282 0.000) 5.597 19.808 ( -5.655 -2.552 0.000) 6.204 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 3.350 12.672 0.000) 13.108 1.869 ( 3.607 5.050 0.000) 6.206 1.968 ( 5.104 -3.874 0.000) 6.408 2.034 ( -2.722 -6.234 0.000) 6.802 2.228 ( 5.686 6.083 0.000) 8.327 2.288 ( 1.611 9.249 0.000) 9.388 2.339 ( 7.247 -3.551 0.000) 8.071 2.491 ( -5.906 -6.480 0.000) 8.767 2.742 ( 7.261 0.386 0.000) 7.271 2.784 ( 10.735 -3.629 0.000) 11.332 2.861 ( -7.433 6.259 0.000) 9.717 2.976 ( -5.446 3.535 0.000) 6.493 2.989 ( -7.713 -3.271 0.000) 8.378 3.032 ( -10.346 1.795 0.000) 10.501 3.059 ( -3.229 -5.173 0.000) 6.098 3.108 ( -8.383 -3.709 0.000) 9.167 3.341 ( 6.188 16.369 0.000) 17.499 3.485 ( -8.106 10.906 0.000) 13.589 3.664 ( 2.678 -13.742 0.000) 14.001 3.720 ( -3.923 -11.294 0.000) 11.956 3.922 ( 8.950 5.329 0.000) 10.417 4.067 ( -6.441 3.780 0.000) 7.468 4.072 ( 8.412 -10.343 0.000) 13.332 4.196 ( -4.780 -9.106 0.000) 10.284 4.267 ( 10.906 1.971 0.000) 11.082 4.320 ( 8.073 -3.475 0.000) 8.789 4.366 ( 1.712 0.850 0.000) 1.912 4.371 ( -0.445 0.399 0.000) 0.598 4.795 ( 1.713 5.838 0.000) 6.084 4.809 ( -0.578 3.990 0.000) 4.031 4.892 ( -0.426 -4.411 0.000) 4.431 4.895 ( -0.501 -3.944 0.000) 3.976 5.124 ( 10.849 2.929 0.000) 11.238 5.147 ( 12.217 0.123 0.000) 12.218 5.292 ( -6.249 3.721 0.000) 7.273 5.332 ( -6.398 -0.513 0.000) 6.418 5.526 ( 25.625 2.511 0.000) 25.748 5.581 ( 23.135 -2.842 0.000) 23.309 5.932 ( -15.729 2.124 0.000) 15.872 5.971 ( -15.593 -1.821 0.000) 15.699 6.377 ( 18.390 1.178 0.000) 18.428 6.406 ( 19.236 -1.917 0.000) 19.331 6.771 ( -19.039 1.950 0.000) 19.139 6.823 ( -22.131 -2.993 0.000) 22.332 6.969 ( -1.123 7.151 0.000) 7.239 7.049 ( -12.149 5.546 0.000) 13.355 7.089 ( -1.259 -5.091 0.000) 5.244 7.148 ( -8.851 -4.329 0.000) 9.853 8.998 ( 13.898 1.623 0.000) 13.992 9.043 ( 12.572 -2.935 0.000) 12.910 9.217 ( -8.929 1.970 0.000) 9.143 9.263 ( -9.973 -2.748 0.000) 10.345 12.982 ( 19.622 7.798 0.000) 21.115 13.128 ( 18.392 -7.014 0.000) 19.684 13.174 ( 6.926 3.556 0.000) 7.785 13.234 ( 12.808 -2.642 0.000) 13.078 14.073 ( 12.331 11.154 0.000) 16.627 14.303 ( 3.558 -12.172 0.000) 12.681 14.531 ( -28.273 3.969 0.000) 28.550 14.611 ( -23.788 -4.132 0.000) 24.144 15.895 ( 13.615 13.423 0.000) 19.120 16.014 ( -0.167 2.719 0.000) 2.724 16.055 ( 3.515 -1.583 0.000) 3.855 16.095 ( 0.446 -6.790 0.000) 6.804 16.333 ( 2.213 6.302 0.000) 6.679 16.483 ( -11.149 8.349 0.000) 13.929 16.522 ( 6.395 -12.918 0.000) 14.415 16.665 ( -7.138 -9.823 0.000) 12.143 19.542 ( 5.784 1.279 0.000) 5.924 19.568 ( 6.289 -1.379 0.000) 6.439 19.655 ( -5.800 1.778 0.000) 6.066 19.691 ( -6.371 -1.939 0.000) 6.660 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 0.000 18.883) 18.883 0.548 ( 0.000 0.000 25.932) 25.932 0.849 ( 0.000 0.000 40.611) 40.611 1.695 ( 0.000 0.000 2.876) 2.876 1.727 ( 0.000 0.000 -3.600) 3.600 1.833 ( 0.000 0.000 8.912) 8.912 1.884 ( 0.000 0.000 -5.686) 5.686 1.924 ( 0.000 0.000 -0.467) 0.467 2.486 ( 0.000 0.000 -5.334) 5.334 2.841 ( 0.000 0.000 0.738) 0.738 2.841 ( 0.000 0.000 -8.465) 8.465 2.886 ( 0.000 0.000 1.040) 1.040 2.896 ( 0.000 0.000 5.916) 5.916 2.981 ( 0.000 0.000 -3.893) 3.893 3.119 ( 0.000 0.000 -3.566) 3.566 3.248 ( 0.000 0.000 10.461) 10.461 3.421 ( 0.000 0.000 8.481) 8.481 3.513 ( 0.000 0.000 8.389) 8.389 3.613 ( 0.000 0.000 4.600) 4.600 3.623 ( 0.000 0.000 -1.343) 1.343 3.831 ( 0.000 0.000 -0.720) 0.720 3.998 ( 0.000 0.000 -5.862) 5.862 4.098 ( 0.000 0.000 -4.431) 4.431 4.168 ( 0.000 0.000 4.573) 4.573 4.175 ( 0.000 0.000 -3.861) 3.861 4.180 ( 0.000 0.000 0.704) 0.704 4.207 ( 0.000 0.000 5.600) 5.600 4.367 ( 0.000 0.000 4.122) 4.122 4.398 ( 0.000 0.000 -0.829) 0.829 4.440 ( 0.000 0.000 4.763) 4.763 4.538 ( 0.000 0.000 -5.278) 5.278 4.698 ( 0.000 0.000 0.887) 0.887 4.857 ( 0.000 0.000 -1.150) 1.150 4.920 ( 0.000 0.000 0.942) 0.942 5.189 ( 0.000 0.000 -1.368) 1.368 5.306 ( 0.000 0.000 -4.585) 4.585 5.497 ( 0.000 0.000 2.874) 2.874 5.530 ( 0.000 0.000 -3.795) 3.795 5.592 ( 0.000 0.000 -8.173) 8.173 5.664 ( 0.000 0.000 -1.981) 1.981 6.202 ( 0.000 0.000 -9.802) 9.802 6.310 ( 0.000 0.000 -13.213) 13.213 6.947 ( 0.000 0.000 -11.218) 11.218 6.993 ( 0.000 0.000 -10.141) 10.141 7.458 ( 0.000 0.000 7.156) 7.156 7.568 ( 0.000 0.000 8.065) 8.065 7.764 ( 0.000 0.000 11.133) 11.133 7.816 ( 0.000 0.000 10.413) 10.413 8.491 ( 0.000 0.000 -2.659) 2.659 8.574 ( 0.000 0.000 -2.009) 2.009 9.583 ( 0.000 0.000 3.962) 3.962 10.090 ( 0.000 0.000 -1.510) 1.510 11.107 ( 0.000 0.000 -0.002) 0.002 11.117 ( 0.000 0.000 -0.059) 0.059 11.689 ( 0.000 0.000 1.342) 1.342 11.924 ( 0.000 0.000 -1.295) 1.295 13.051 ( 0.000 0.000 0.077) 0.077 13.053 ( 0.000 0.000 0.049) 0.049 14.342 ( 0.000 0.000 6.723) 6.723 15.639 ( 0.000 0.000 -7.517) 7.517 15.647 ( 0.000 0.000 0.243) 0.243 15.773 ( 0.000 0.000 -1.622) 1.622 15.912 ( 0.000 0.000 0.157) 0.157 15.915 ( 0.000 0.000 -0.058) 0.058 16.423 ( 0.000 0.000 -0.055) 0.055 16.633 ( 0.000 0.000 -6.044) 6.044 16.909 ( 0.000 0.000 6.349) 6.349 17.312 ( 0.000 0.000 -1.068) 1.068 19.364 ( 0.000 0.000 6.513) 6.513 19.856 ( 0.000 0.000 -0.406) 0.406 20.066 ( 0.000 0.000 2.414) 2.414 20.481 ( 0.000 0.000 -1.872) 1.872 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.11 0.00 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 10.537 0.000 14.289) 17.754 0.685 ( 9.438 0.000 17.968) 20.296 1.445 ( 46.641 0.000 23.838) 52.380 1.811 ( 5.792 0.000 -3.762) 6.907 1.850 ( 3.247 0.000 4.782) 5.780 1.922 ( 5.782 0.000 -4.189) 7.140 2.060 ( 30.299 0.000 4.917) 30.696 2.131 ( 16.696 0.000 1.103) 16.733 2.460 ( -1.862 0.000 -6.265) 6.536 2.783 ( -2.889 0.000 2.398) 3.755 2.828 ( -6.749 0.000 1.702) 6.961 2.903 ( 1.869 0.000 -1.695) 2.523 2.996 ( 9.098 0.000 -6.183) 11.000 3.062 ( -0.255 0.000 -2.781) 2.793 3.119 ( 14.596 0.000 -0.661) 14.611 3.368 ( 8.155 0.000 3.957) 9.065 3.477 ( -1.215 0.000 -1.549) 1.969 3.491 ( -0.673 0.000 7.664) 7.693 3.594 ( -1.766 0.000 4.442) 4.780 3.679 ( 4.942 0.000 -0.664) 4.987 3.693 ( -8.753 0.000 4.978) 10.069 3.862 ( -11.607 0.000 4.499) 12.449 3.885 ( -8.855 0.000 -2.562) 9.218 4.098 ( -1.188 0.000 3.522) 3.717 4.184 ( -1.792 0.000 -2.959) 3.459 4.307 ( 6.845 0.000 1.440) 6.995 4.320 ( 8.773 0.000 2.040) 9.007 4.331 ( -3.407 0.000 -2.807) 4.414 4.417 ( 1.817 0.000 2.024) 2.721 4.468 ( -6.790 0.000 -5.091) 8.487 4.529 ( 6.010 0.000 -0.105) 6.010 4.682 ( -0.257 0.000 0.828) 0.868 4.854 ( -0.243 0.000 -0.662) 0.705 4.890 ( -2.132 0.000 0.545) 2.201 5.179 ( -0.937 0.000 -1.421) 1.702 5.198 ( -5.054 0.000 14.349) 15.213 5.427 ( 1.895 0.000 -3.815) 4.260 5.511 ( -1.976 0.000 -3.912) 4.383 5.523 ( -2.070 0.000 -3.996) 4.501 5.730 ( 5.779 0.000 -2.905) 6.468 6.223 ( 0.576 0.000 -7.812) 7.833 6.275 ( -1.446 0.000 -5.638) 5.820 6.909 ( -3.570 0.000 -10.695) 11.275 6.974 ( -2.021 0.000 -9.398) 9.613 7.726 ( -4.205 0.000 10.705) 11.501 7.738 ( 18.726 0.000 2.805) 18.935 7.738 ( -7.352 0.000 10.634) 12.928 7.994 ( 16.765 0.000 -18.132) 24.695 8.308 ( -16.130 0.000 -2.194) 16.278 8.523 ( -3.211 0.000 -4.461) 5.496 9.603 ( 1.039 0.000 4.461) 4.581 9.677 ( -15.880 0.000 19.093) 24.834 11.313 ( 21.552 0.000 0.186) 21.553 11.370 ( 24.197 0.000 -0.397) 24.201 11.783 ( 9.627 0.000 1.406) 9.730 12.045 ( 12.247 0.000 -1.492) 12.337 13.315 ( 26.365 0.000 0.218) 26.366 14.279 ( -6.531 0.000 6.531) 9.236 14.603 ( 81.212 0.000 -70.979) 107.859 15.548 ( -9.499 0.000 -7.765) 12.269 15.577 ( -7.479 0.000 -0.245) 7.483 15.687 ( -8.505 0.000 -0.442) 8.516 15.911 ( 0.686 0.000 -0.014) 0.686 15.950 ( 2.878 0.000 -0.847) 3.000 16.412 ( -1.117 0.000 -0.058) 1.119 16.609 ( -2.504 0.000 -5.758) 6.279 16.881 ( -2.787 0.000 5.887) 6.513 17.240 ( -6.392 0.000 2.554) 6.883 19.380 ( 1.643 0.000 6.037) 6.256 19.836 ( -2.584 0.000 0.297) 2.601 19.923 ( -18.107 0.000 18.131) 25.625 20.136 ( -11.198 0.000 8.795) 14.239 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.22 0.00 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 16.449 0.000 9.308) 18.900 0.927 ( 15.757 0.000 -3.280) 16.094 1.871 ( 1.908 0.000 -2.770) 3.364 1.911 ( 4.076 0.000 -0.720) 4.139 2.103 ( 9.739 0.000 -6.081) 11.482 2.151 ( 19.188 0.000 23.511) 30.347 2.400 ( 3.699 0.000 -0.537) 3.737 2.456 ( 7.349 0.000 1.892) 7.589 2.515 ( 5.810 0.000 7.077) 9.157 2.741 ( -0.941 0.000 4.149) 4.254 2.879 ( 15.483 0.000 -8.429) 17.629 2.947 ( -5.245 0.000 -8.410) 9.911 3.104 ( 18.115 0.000 2.034) 18.229 3.160 ( 0.545 0.000 1.028) 1.163 3.276 ( -5.971 0.000 -2.674) 6.542 3.426 ( 6.599 0.000 -3.898) 7.664 3.484 ( -0.659 0.000 5.602) 5.641 3.518 ( 3.379 0.000 -1.634) 3.753 3.541 ( -9.146 0.000 1.000) 9.200 3.629 ( 3.188 0.000 1.087) 3.368 3.697 ( -1.007 0.000 4.245) 4.363 3.723 ( -3.067 0.000 4.946) 5.820 3.866 ( 14.640 0.000 -2.394) 14.834 4.139 ( 5.194 0.000 2.833) 5.916 4.168 ( 0.566 0.000 -2.024) 2.102 4.290 ( -8.524 0.000 -0.163) 8.525 4.346 ( 5.724 0.000 -5.064) 7.642 4.418 ( 3.593 0.000 -3.659) 5.128 4.503 ( 5.993 0.000 -1.156) 6.103 4.512 ( 9.657 0.000 1.190) 9.730 4.589 ( 4.735 0.000 2.536) 5.371 4.711 ( 2.230 0.000 3.471) 4.126 4.859 ( 1.287 0.000 0.520) 1.388 4.910 ( 3.762 0.000 -3.721) 5.292 5.124 ( -3.912 0.000 6.299) 7.415 5.161 ( -0.820 0.000 -1.941) 2.107 5.335 ( -4.895 0.000 -0.638) 4.936 5.457 ( -3.568 0.000 -4.236) 5.538 5.709 ( 14.597 0.000 -0.015) 14.597 5.881 ( 9.676 0.000 -3.477) 10.282 6.196 ( -3.204 0.000 -3.340) 4.628 6.253 ( -1.589 0.000 -4.284) 4.570 6.829 ( -4.167 0.000 -8.448) 9.420 6.922 ( -3.113 0.000 -6.896) 7.566 7.557 ( -10.365 0.000 10.631) 14.847 7.612 ( -7.760 0.000 9.222) 12.052 7.849 ( -22.098 0.000 -3.269) 22.338 7.921 ( -20.585 0.000 -7.946) 22.066 8.196 ( 21.695 0.000 1.766) 21.767 8.624 ( 11.078 0.000 -10.127) 15.009 9.500 ( -5.322 0.000 13.941) 14.922 9.612 ( -1.748 0.000 3.483) 3.897 11.889 ( 36.549 0.000 0.194) 36.549 11.975 ( 36.223 0.000 -0.786) 36.231 12.047 ( 17.821 0.000 1.780) 17.910 12.374 ( 21.282 0.000 -1.909) 21.367 13.989 ( 41.273 0.000 0.552) 41.277 14.098 ( -11.861 0.000 6.028) 13.305 15.275 ( -18.301 0.000 -8.070) 20.001 15.360 ( -15.050 0.000 0.374) 15.054 15.458 ( -15.289 0.000 0.289) 15.291 15.603 ( 29.381 0.000 -40.664) 50.167 15.938 ( 2.079 0.000 -0.058) 2.080 16.032 ( 6.044 0.000 -6.461) 8.847 16.382 ( -2.007 0.000 -0.351) 2.038 16.543 ( -3.840 0.000 -5.740) 6.906 16.806 ( -5.087 0.000 4.076) 6.518 17.106 ( -6.991 0.000 4.023) 8.066 19.428 ( 3.337 0.000 4.858) 5.893 19.635 ( -8.009 0.000 19.264) 20.862 19.794 ( -3.251 0.000 0.429) 3.279 20.009 ( -5.819 0.000 2.352) 6.277 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.33 0.00 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 19.141 0.000 6.739) 20.292 1.277 ( 20.100 0.000 -13.584) 24.259 1.895 ( -0.415 0.000 -1.344) 1.406 2.017 ( 7.067 0.000 -6.347) 9.498 2.233 ( 3.003 0.000 -6.695) 7.338 2.269 ( -2.785 0.000 18.274) 18.485 2.381 ( -1.631 0.000 1.330) 2.104 2.497 ( -3.761 0.000 4.492) 5.858 2.588 ( 3.855 0.000 2.722) 4.720 2.810 ( 5.756 0.000 0.568) 5.784 2.813 ( -10.309 0.000 -9.090) 13.744 2.885 ( 1.389 0.000 -4.406) 4.620 3.076 ( -6.696 0.000 1.433) 6.848 3.227 ( -7.203 0.000 -1.130) 7.291 3.288 ( -12.808 0.000 2.473) 13.045 3.324 ( -9.737 0.000 0.599) 9.756 3.425 ( -5.239 0.000 0.921) 5.319 3.476 ( -8.723 0.000 0.475) 8.736 3.632 ( 24.861 0.000 8.722) 26.347 3.695 ( 5.907 0.000 3.354) 6.793 3.805 ( 4.879 0.000 -11.853) 12.817 3.920 ( 19.554 0.000 3.810) 19.921 4.119 ( -3.354 0.000 -0.555) 3.400 4.176 ( -0.281 0.000 1.414) 1.442 4.240 ( 10.445 0.000 -8.847) 13.688 4.345 ( 15.535 0.000 3.954) 16.030 4.420 ( -1.384 0.000 -1.497) 2.038 4.493 ( 6.914 0.000 1.139) 7.007 4.597 ( 6.479 0.000 -3.724) 7.473 4.654 ( 4.333 0.000 2.141) 4.834 4.782 ( 5.218 0.000 4.329) 6.780 4.893 ( 21.472 0.000 -0.397) 21.476 4.928 ( 6.127 0.000 -1.308) 6.265 4.987 ( 6.159 0.000 -2.468) 6.635 5.053 ( -2.487 0.000 0.937) 2.658 5.146 ( -0.940 0.000 -2.990) 3.134 5.338 ( 7.233 0.000 0.941) 7.294 5.370 ( -5.597 0.000 -4.603) 7.247 5.995 ( 12.868 0.000 -1.499) 12.955 6.085 ( 4.687 0.000 -3.567) 5.890 6.124 ( 4.052 0.000 -0.667) 4.107 6.188 ( -5.432 0.000 -1.833) 5.733 6.770 ( -1.422 0.000 -3.605) 3.876 6.869 ( -2.166 0.000 -2.142) 3.046 7.336 ( -29.378 0.000 -3.187) 29.550 7.362 ( -9.275 0.000 8.655) 12.686 7.439 ( -27.660 0.000 -6.084) 28.322 7.440 ( -9.572 0.000 7.071) 11.901 8.629 ( 21.336 0.000 0.437) 21.340 8.852 ( 12.106 0.000 -6.662) 13.818 9.394 ( -6.406 0.000 8.480) 10.628 9.528 ( -7.056 0.000 2.537) 7.498 12.412 ( 20.973 0.000 1.558) 21.031 12.638 ( 37.116 0.000 -0.232) 37.117 12.711 ( 37.349 0.000 -0.429) 37.352 12.832 ( 25.450 0.000 -1.723) 25.508 13.851 ( -12.129 0.000 5.356) 13.259 14.810 ( 41.877 0.000 0.751) 41.883 14.882 ( -21.113 0.000 -6.747) 22.165 14.992 ( -23.475 0.000 0.487) 23.480 15.102 ( -21.248 0.000 -0.056) 21.248 15.918 ( 7.138 0.000 -7.716) 10.511 15.988 ( 3.385 0.000 0.343) 3.402 16.160 ( 4.828 0.000 -9.703) 10.838 16.326 ( -4.092 0.000 -0.063) 4.092 16.483 ( -3.371 0.000 -7.692) 8.398 16.695 ( -4.464 0.000 -1.312) 4.653 16.979 ( -6.203 0.000 0.667) 6.238 19.505 ( 4.422 0.000 3.893) 5.891 19.568 ( 0.132 0.000 10.722) 10.723 19.723 ( -3.984 0.000 0.962) 4.099 19.888 ( -6.679 0.000 1.600) 6.868 ======================= Grid point 49 (20/60) ======================= q-point: ( 0.44 0.00 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 18.164 0.000 4.937) 18.823 1.679 ( 21.053 0.000 -11.467) 23.973 1.791 ( -11.169 0.000 2.351) 11.414 2.054 ( -16.065 0.000 -0.984) 16.095 2.194 ( 8.858 0.000 -6.594) 11.043 2.270 ( 2.840 0.000 -3.527) 4.528 2.338 ( -3.277 0.000 -1.662) 3.675 2.379 ( -8.720 0.000 -2.046) 8.957 2.689 ( 6.453 0.000 0.206) 6.457 2.764 ( 5.730 0.000 2.212) 6.142 2.799 ( -3.909 0.000 -2.309) 4.540 2.971 ( -14.217 0.000 6.018) 15.438 2.975 ( 0.981 0.000 -0.221) 1.005 3.041 ( 2.259 0.000 -2.098) 3.083 3.157 ( -1.593 0.000 2.653) 3.094 3.202 ( 1.306 0.000 0.302) 1.341 3.290 ( -6.875 0.000 2.651) 7.368 3.302 ( -9.462 0.000 0.609) 9.482 3.767 ( 2.856 0.000 2.373) 3.713 3.821 ( -2.395 0.000 -3.298) 4.076 3.992 ( 12.401 0.000 5.624) 13.617 4.141 ( -3.895 0.000 3.054) 4.949 4.155 ( 5.647 0.000 -8.100) 9.875 4.212 ( 9.930 0.000 1.636) 10.064 4.259 ( -3.946 0.000 -10.617) 11.327 4.348 ( -5.232 0.000 0.385) 5.246 4.556 ( 6.773 0.000 3.955) 7.843 4.639 ( -1.116 0.000 3.371) 3.551 4.708 ( 5.277 0.000 -1.612) 5.518 4.799 ( -3.433 0.000 1.513) 3.752 4.815 ( 15.666 0.000 -0.148) 15.667 5.004 ( 2.016 0.000 2.490) 3.204 5.020 ( -2.155 0.000 -5.436) 5.848 5.034 ( -0.810 0.000 0.082) 0.814 5.133 ( 2.694 0.000 -3.173) 4.162 5.245 ( -6.873 0.000 -4.894) 8.437 5.470 ( 28.307 0.000 -0.609) 28.313 5.637 ( 20.840 0.000 0.291) 20.842 5.888 ( -14.650 0.000 0.653) 14.664 6.000 ( -13.941 0.000 -0.559) 13.952 6.317 ( 17.296 0.000 -3.937) 17.738 6.432 ( 19.939 0.000 -4.425) 20.424 6.768 ( -27.549 0.000 -3.917) 27.826 6.783 ( 2.436 0.000 2.498) 3.490 6.833 ( -2.059 0.000 3.436) 4.006 6.904 ( -26.773 0.000 -5.424) 27.317 7.234 ( -2.840 0.000 4.845) 5.616 7.275 ( -6.488 0.000 4.488) 7.889 8.990 ( 15.530 0.000 1.294) 15.584 9.084 ( 11.447 0.000 -2.397) 11.695 9.245 ( -8.517 0.000 4.075) 9.441 9.344 ( -11.610 0.000 0.933) 11.648 12.816 ( 19.947 0.000 1.749) 20.024 13.073 ( 0.581 0.000 -0.372) 0.690 13.267 ( 16.156 0.000 -0.530) 16.164 13.289 ( 16.638 0.000 0.117) 16.638 13.864 ( 22.012 0.000 2.820) 22.192 14.453 ( -31.689 0.000 0.794) 31.699 14.560 ( -8.355 0.000 -4.646) 9.560 14.691 ( -18.804 0.000 -1.466) 18.861 15.532 ( 31.515 0.000 0.829) 31.526 15.928 ( -7.644 0.000 -0.190) 7.646 16.080 ( 5.472 0.000 -0.231) 5.477 16.179 ( -3.053 0.000 -2.215) 3.772 16.245 ( -2.198 0.000 0.725) 2.314 16.318 ( -10.151 0.000 -0.699) 10.175 16.733 ( 6.326 0.000 -9.623) 11.516 16.861 ( -6.369 0.000 -4.897) 8.034 19.575 ( 3.194 0.000 4.802) 5.767 19.630 ( 4.552 0.000 3.139) 5.529 19.647 ( -2.760 0.000 2.621) 3.807 19.757 ( -6.804 0.000 1.803) 7.038 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.20 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 9.717 21.178) 23.300 0.649 ( 0.000 15.682 16.074) 22.456 1.164 ( 0.000 26.197 23.275) 35.043 1.498 ( 0.000 -7.253 5.821) 9.300 1.658 ( 0.000 -14.593 7.319) 16.325 1.909 ( 0.000 9.052 -4.201) 9.979 1.972 ( 0.000 4.108 0.940) 4.214 2.068 ( 0.000 14.936 -5.492) 15.914 2.517 ( 0.000 1.064 -2.967) 3.152 2.789 ( 0.000 -3.161 1.302) 3.419 2.869 ( 0.000 -2.825 3.111) 4.202 2.886 ( 0.000 1.182 -9.912) 9.983 2.947 ( 0.000 5.266 4.211) 6.743 2.997 ( 0.000 1.608 -1.551) 2.235 3.077 ( 0.000 -5.867 -4.536) 7.416 3.255 ( 0.000 0.738 10.430) 10.457 3.378 ( 0.000 -2.403 9.450) 9.750 3.496 ( 0.000 -0.986 9.894) 9.943 3.613 ( 0.000 -4.702 -5.455) 7.201 3.647 ( 0.000 3.542 4.300) 5.571 3.711 ( 0.000 -6.317 3.866) 7.406 3.888 ( 0.000 -3.842 2.547) 4.610 4.060 ( 0.000 -4.455 -1.650) 4.751 4.096 ( 0.000 -3.408 -3.515) 4.896 4.159 ( 0.000 0.465 -0.098) 0.475 4.172 ( 0.000 -2.912 1.664) 3.354 4.259 ( 0.000 4.658 1.869) 5.018 4.370 ( 0.000 0.114 2.499) 2.502 4.427 ( 0.000 -1.172 3.783) 3.961 4.434 ( 0.000 3.282 1.566) 3.636 4.526 ( 0.000 -1.577 -3.202) 3.569 4.668 ( 0.000 -2.899 1.360) 3.202 4.685 ( 0.000 -7.677 -0.304) 7.683 4.966 ( 0.000 -8.736 11.509) 14.449 5.227 ( 0.000 1.577 -3.089) 3.469 5.383 ( 0.000 -0.742 -3.052) 3.141 5.490 ( 0.000 -3.525 -6.722) 7.590 5.536 ( 0.000 14.701 -13.668) 20.073 5.600 ( 0.000 -0.767 -5.343) 5.398 5.698 ( 0.000 3.550 -3.522) 5.001 6.206 ( 0.000 0.404 -9.924) 9.932 6.257 ( 0.000 -2.190 -10.043) 10.279 7.014 ( 0.000 1.968 -10.737) 10.915 7.075 ( 0.000 4.599 -21.242) 21.734 7.458 ( 0.000 0.216 6.810) 6.814 7.532 ( 0.000 -1.886 6.273) 6.550 7.870 ( 0.000 5.229 11.784) 12.892 7.982 ( 0.000 12.619 7.058) 14.459 8.511 ( 0.000 1.490 -1.289) 1.971 8.564 ( 0.000 -1.015 -1.722) 1.999 9.551 ( 0.000 -3.147 3.893) 5.006 9.656 ( 0.000 -23.313 19.981) 30.704 11.110 ( 0.000 0.152 -0.033) 0.156 11.116 ( 0.000 -0.036 -0.028) 0.045 11.714 ( 0.000 2.574 1.222) 2.849 11.912 ( 0.000 -1.873 -0.566) 1.956 13.051 ( 0.000 0.017 0.079) 0.080 13.053 ( 0.000 -0.017 0.055) 0.058 15.062 ( 0.000 41.154 -36.039) 54.704 15.640 ( 0.000 -0.033 -8.125) 8.125 15.656 ( 0.000 0.977 0.146) 0.987 15.768 ( 0.000 -0.628 -3.026) 3.091 15.923 ( 0.000 0.956 0.611) 1.134 15.934 ( 0.000 2.082 -0.915) 2.274 16.429 ( 0.000 1.006 -0.505) 1.126 16.615 ( 0.000 -1.848 -6.272) 6.538 16.926 ( 0.000 1.767 6.697) 6.927 17.228 ( 0.000 -7.380 4.427) 8.606 19.377 ( 0.000 1.423 7.756) 7.885 19.875 ( 0.000 1.906 -0.215) 1.918 19.971 ( 0.000 -31.032 26.875) 41.052 20.045 ( 0.000 -2.110 2.075) 2.959 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.11 0.20 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 10.295 12.616 8.709) 18.466 1.002 ( 10.483 26.505 11.174) 30.614 1.509 ( 37.206 7.306 20.148) 42.937 1.667 ( 5.326 -13.783 3.809) 15.259 1.811 ( 19.855 -3.759 3.853) 20.572 1.967 ( 4.187 4.216 0.582) 5.970 2.133 ( 15.694 10.051 -2.335) 18.783 2.240 ( 16.803 7.835 -1.911) 18.638 2.494 ( -0.499 1.781 -0.974) 2.091 2.795 ( 0.175 1.240 1.480) 1.939 2.813 ( -4.021 -1.162 0.932) 4.288 2.911 ( -2.533 0.387 1.204) 2.831 2.992 ( 0.922 -5.311 -5.592) 7.767 3.052 ( 5.236 1.509 -4.537) 7.090 3.102 ( 15.755 -1.658 0.640) 15.855 3.367 ( 5.310 0.140 3.688) 6.466 3.429 ( 2.686 -2.076 6.475) 7.311 3.499 ( -1.521 -0.067 3.343) 3.674 3.614 ( -1.322 -2.996 0.230) 3.283 3.640 ( -0.841 0.042 1.060) 1.353 3.694 ( 0.909 0.191 1.866) 2.084 3.792 ( -6.204 -2.781 5.244) 8.586 3.891 ( -11.213 -1.113 -0.533) 11.281 4.063 ( -0.846 -2.858 2.848) 4.123 4.182 ( -0.109 -0.118 -1.401) 1.410 4.286 ( 3.016 -2.360 -1.680) 4.182 4.290 ( 7.335 -1.369 -0.429) 7.474 4.341 ( -3.716 -0.241 -0.698) 3.788 4.410 ( 0.007 -1.958 -3.180) 3.734 4.456 ( -0.988 1.471 3.718) 4.119 4.516 ( 1.172 -0.502 1.546) 2.004 4.656 ( 0.245 -2.503 0.460) 2.557 4.708 ( 3.315 -7.061 -1.629) 7.969 5.042 ( -1.286 -13.385 13.333) 18.936 5.117 ( -5.076 10.696 -5.252) 12.952 5.265 ( -2.568 7.982 -1.418) 8.504 5.453 ( -4.976 -1.636 -7.175) 8.883 5.519 ( -1.333 3.899 -3.465) 5.384 5.570 ( 1.388 3.933 -3.255) 5.290 5.732 ( 4.900 0.394 -3.133) 5.830 6.223 ( 0.437 0.096 -7.896) 7.909 6.260 ( -0.100 -0.986 -6.845) 6.916 6.965 ( -4.476 3.576 -11.709) 13.035 7.011 ( -2.884 3.540 -11.316) 12.202 7.635 ( 2.630 -5.514 6.522) 8.936 7.658 ( 5.354 -3.517 6.501) 9.127 7.855 ( 5.189 7.228 7.983) 11.954 8.081 ( 5.233 4.795 -7.718) 10.485 8.331 ( -15.585 1.977 -1.432) 15.775 8.498 ( -4.591 -2.799 -1.505) 5.583 9.540 ( -4.918 -8.271 16.015) 18.684 9.580 ( 0.945 -3.716 5.207) 6.467 11.325 ( 22.227 1.073 0.027) 22.253 11.376 ( 24.134 0.265 -0.553) 24.142 11.811 ( 9.870 2.815 1.230) 10.337 12.025 ( 11.808 -2.127 -0.964) 12.037 13.324 ( 27.145 1.118 0.230) 27.169 13.763 ( 39.989 -22.933 -5.080) 46.377 15.181 ( 14.607 27.206 -44.892) 54.487 15.555 ( -8.911 0.530 -8.589) 12.387 15.588 ( -7.258 1.109 -0.491) 7.359 15.686 ( -8.409 -0.245 -1.593) 8.562 15.919 ( 0.351 0.813 0.455) 0.995 15.961 ( 2.350 1.017 -1.283) 2.864 16.416 ( -1.337 0.829 -0.308) 1.603 16.591 ( -2.479 -1.834 -5.823) 6.589 16.895 ( -3.003 1.511 6.176) 7.031 17.166 ( -5.576 -6.549 5.931) 10.447 19.390 ( 1.435 1.174 7.137) 7.374 19.763 ( -13.086 -13.536 24.658) 31.024 19.859 ( -1.861 1.531 0.386) 2.441 20.048 ( -2.090 -4.546 2.968) 5.817 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.22 0.20 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 16.884 9.042 -4.818) 19.749 1.152 ( 8.369 27.133 6.652) 29.163 1.757 ( 5.332 -13.607 -2.996) 14.918 1.938 ( 2.751 6.495 -2.753) 7.571 2.111 ( 15.866 1.461 12.575) 20.297 2.246 ( 14.502 4.242 6.909) 16.614 2.358 ( 3.064 -4.100 3.729) 6.333 2.479 ( 7.125 4.439 3.093) 8.947 2.562 ( -0.117 3.467 2.381) 4.208 2.771 ( 0.606 3.051 3.615) 4.769 2.910 ( 7.010 0.011 -7.104) 9.981 2.927 ( 4.604 -0.799 -5.637) 7.322 3.089 ( 18.409 -0.545 1.047) 18.447 3.173 ( 0.447 1.046 -0.572) 1.273 3.252 ( -6.611 -0.822 -1.766) 6.892 3.405 ( 9.111 -3.102 -4.542) 10.642 3.490 ( -0.820 0.566 7.733) 7.797 3.504 ( -3.816 1.789 -1.166) 4.373 3.588 ( -5.693 1.353 5.115) 7.772 3.623 ( 4.175 -0.523 -1.868) 4.604 3.683 ( 3.726 -1.444 2.453) 4.689 3.732 ( -2.884 1.808 4.649) 5.762 3.809 ( 11.551 -6.091 -4.417) 13.785 4.092 ( 2.649 -3.900 0.798) 4.782 4.176 ( 0.528 0.153 0.832) 0.997 4.292 ( -3.085 0.854 -2.626) 4.140 4.353 ( 2.331 -4.493 -1.494) 5.277 4.366 ( 4.167 -0.402 -3.170) 5.251 4.459 ( 8.824 -3.584 1.393) 9.626 4.488 ( 1.413 -2.207 -2.384) 3.542 4.576 ( 8.961 -0.551 1.842) 9.165 4.693 ( 3.305 -1.431 2.437) 4.348 4.811 ( 5.897 -3.861 -1.990) 7.324 4.928 ( -2.765 -1.737 1.358) 3.537 5.126 ( -1.134 3.430 3.694) 5.167 5.244 ( -0.500 6.434 -1.911) 6.730 5.331 ( -5.491 -0.574 -2.513) 6.066 5.462 ( -3.204 0.189 -2.697) 4.192 5.736 ( 12.983 2.653 -1.008) 13.290 5.873 ( 9.336 -0.827 -3.705) 10.078 6.198 ( -2.916 0.412 -4.107) 5.053 6.249 ( -1.561 -0.432 -4.551) 4.830 6.876 ( -4.289 4.002 -9.147) 10.866 6.952 ( -3.124 2.712 -7.761) 8.795 7.544 ( -9.798 -1.695 10.774) 14.661 7.573 ( -8.229 -2.593 9.940) 13.162 7.866 ( -21.856 1.643 -3.364) 22.174 7.939 ( -20.647 1.054 -6.075) 21.548 8.230 ( 20.049 3.507 2.053) 20.456 8.586 ( 11.327 -4.080 -6.667) 13.762 9.471 ( -3.140 -1.955 11.474) 12.056 9.584 ( -1.587 -2.707 3.484) 4.689 11.906 ( 36.500 1.625 0.082) 36.537 11.979 ( 36.473 0.182 -0.708) 36.480 12.080 ( 17.719 3.372 1.398) 18.091 12.346 ( 20.860 -2.868 -1.486) 21.109 13.991 ( 37.351 0.397 1.066) 37.369 14.085 ( 0.222 -1.361 4.557) 4.761 15.306 ( -15.762 3.040 -9.493) 18.650 15.367 ( -14.466 0.678 -0.276) 14.484 15.457 ( -15.130 -0.049 -0.174) 15.131 15.594 ( 21.543 -1.239 -36.224) 42.164 15.942 ( 1.967 0.419 0.415) 2.053 16.025 ( 4.400 -1.079 -4.110) 6.117 16.379 ( -2.456 0.307 0.017) 2.475 16.527 ( -3.800 -1.708 -5.220) 6.679 16.815 ( -5.414 1.082 4.332) 7.017 17.045 ( -6.527 -5.484 5.414) 10.099 19.433 ( 3.066 0.635 5.646) 6.456 19.588 ( -4.930 -4.202 17.479) 18.640 19.809 ( -3.287 1.589 0.302) 3.663 19.977 ( -4.921 -2.835 1.801) 5.958 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.33 0.20 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 18.742 4.568 -13.057) 23.294 1.360 ( 13.695 20.942 4.827) 25.484 1.862 ( 4.558 -7.344 -6.883) 11.049 2.007 ( 5.289 4.205 -2.282) 7.132 2.262 ( 1.092 2.622 9.200) 9.629 2.307 ( -4.311 1.709 3.550) 5.841 2.408 ( -3.048 -7.446 6.175) 10.143 2.465 ( 0.781 8.063 2.046) 8.355 2.621 ( 4.861 1.847 0.301) 5.208 2.801 ( -0.736 -3.904 -1.670) 4.309 2.848 ( -9.426 3.184 -8.311) 12.964 2.920 ( 6.890 5.527 -1.318) 8.931 3.078 ( -7.258 1.489 1.185) 7.504 3.190 ( -4.890 -3.762 -2.850) 6.796 3.267 ( -14.185 -0.591 3.621) 14.652 3.359 ( -11.873 1.683 2.604) 12.271 3.384 ( -5.957 -3.696 1.188) 7.110 3.492 ( -5.834 2.722 -0.377) 6.449 3.632 ( 22.115 -0.419 7.487) 23.352 3.714 ( 5.095 1.552 3.761) 6.521 3.814 ( 6.462 0.436 -11.370) 13.085 3.929 ( 18.337 0.465 2.836) 18.560 4.051 ( -0.999 -5.238 -2.682) 5.969 4.119 ( 6.722 -6.647 -2.196) 9.706 4.280 ( 3.715 0.747 -2.064) 4.315 4.312 ( 12.051 -2.358 6.045) 13.687 4.382 ( 1.649 -7.162 0.589) 7.373 4.417 ( -1.806 -0.715 -1.250) 2.310 4.560 ( 6.110 -2.373 -2.786) 7.122 4.649 ( 8.523 -0.189 -2.036) 8.765 4.818 ( 11.081 2.048 2.710) 11.590 4.888 ( 19.425 -0.719 -0.710) 19.451 4.916 ( 7.273 -0.335 -0.112) 7.281 4.943 ( 3.638 -3.737 -2.738) 5.890 5.094 ( -0.070 4.352 1.386) 4.567 5.221 ( -1.604 4.735 -2.859) 5.759 5.313 ( 3.886 -0.671 -1.535) 4.232 5.401 ( -1.735 1.436 -1.387) 2.645 6.007 ( 13.234 1.124 -1.797) 13.403 6.081 ( 9.841 -0.717 -4.360) 10.788 6.116 ( -2.297 -0.185 -0.994) 2.510 6.181 ( -5.707 -0.696 -2.059) 6.107 6.817 ( -1.503 4.178 -3.974) 5.959 6.904 ( -1.623 3.182 -2.558) 4.393 7.302 ( -20.950 -2.763 1.827) 21.210 7.360 ( -14.799 -2.908 4.831) 15.837 7.400 ( -20.535 1.938 1.827) 20.707 7.494 ( -20.150 1.535 0.086) 20.208 8.641 ( 20.541 1.307 0.292) 20.585 8.825 ( 12.802 -2.735 -5.099) 14.049 9.387 ( -5.953 -0.315 7.159) 9.316 9.504 ( -6.866 -2.361 2.583) 7.706 12.456 ( 21.389 4.416 1.263) 21.877 12.648 ( 36.770 0.997 -0.298) 36.785 12.710 ( 36.937 -0.221 -0.418) 36.940 12.797 ( 25.328 -3.568 -1.265) 25.609 13.926 ( -10.503 7.481 4.658) 13.710 14.591 ( 9.267 -12.615 -0.070) 15.653 15.003 ( -23.210 1.170 0.283) 23.241 15.070 ( -13.742 2.322 -2.477) 14.155 15.162 ( 2.802 13.039 -4.359) 14.031 15.902 ( 9.365 -2.233 -10.470) 14.224 15.991 ( 3.106 0.266 0.510) 3.159 16.129 ( 5.255 -3.856 -8.076) 10.378 16.320 ( -3.669 0.102 0.295) 3.682 16.471 ( -1.773 -1.667 -7.167) 7.569 16.681 ( -7.798 -0.515 1.405) 7.940 16.921 ( -6.339 -5.326 1.366) 8.391 19.506 ( 4.244 0.130 4.318) 6.056 19.554 ( 1.016 -1.216 9.726) 9.854 19.736 ( -4.162 1.305 0.939) 4.462 19.868 ( -6.252 -1.940 1.444) 6.704 ======================= Grid point 58 (25/60) ======================= q-point: ( 0.44 0.20 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 13.729 10.192 2.473) 17.277 1.698 ( 16.059 3.367 -8.092) 18.295 1.869 ( -3.187 6.280 -0.961) 7.107 2.083 ( -15.522 1.796 -0.134) 15.626 2.147 ( 8.342 -2.178 -6.306) 10.682 2.285 ( -4.573 -3.874 -0.525) 6.017 2.314 ( 1.826 1.721 -2.574) 3.595 2.433 ( -6.776 4.921 -3.661) 9.140 2.730 ( 6.821 2.541 0.976) 7.344 2.783 ( 3.899 2.915 1.061) 4.982 2.829 ( 1.178 1.123 -2.558) 3.032 2.952 ( -1.982 -0.394 1.991) 2.836 2.975 ( -12.786 0.436 3.825) 13.353 3.057 ( -2.499 1.209 -1.295) 3.063 3.153 ( 0.114 -4.660 0.738) 4.720 3.183 ( 2.344 3.386 3.164) 5.193 3.239 ( -6.934 -4.346 2.799) 8.649 3.347 ( -8.951 4.479 0.590) 10.026 3.773 ( 2.760 -0.908 0.830) 3.021 3.823 ( -1.954 -0.256 -2.032) 2.831 3.960 ( 9.554 -3.112 4.403) 10.970 4.083 ( -1.710 -3.477 -0.701) 3.937 4.148 ( 5.913 -1.316 -4.988) 7.847 4.219 ( 8.186 -0.035 -1.209) 8.275 4.279 ( -2.956 1.074 -6.695) 7.397 4.350 ( -4.614 0.125 -0.039) 4.616 4.444 ( 3.481 -10.978 3.808) 12.130 4.471 ( 1.437 -11.204 2.455) 11.560 4.702 ( 7.447 0.551 -1.390) 7.596 4.767 ( 1.848 2.394 0.488) 3.063 4.931 ( 3.754 -0.480 0.769) 3.862 4.978 ( -0.279 -2.919 0.211) 2.940 5.018 ( 4.568 6.078 -1.066) 7.677 5.137 ( 1.852 5.345 -2.059) 6.020 5.144 ( 0.886 1.736 -2.880) 3.477 5.268 ( -4.711 1.485 -4.384) 6.604 5.487 ( 26.664 1.695 -0.322) 26.719 5.627 ( 20.617 -1.168 0.448) 20.655 5.897 ( -14.833 0.960 0.243) 14.866 5.990 ( -14.226 -1.006 -0.585) 14.274 6.319 ( 17.463 0.337 -4.084) 17.937 6.405 ( 19.652 -2.349 -4.231) 20.239 6.749 ( -21.290 -0.494 -1.783) 21.371 6.811 ( -15.198 0.635 -2.282) 15.381 6.883 ( -2.382 4.409 2.519) 5.609 6.940 ( -13.329 4.272 -1.616) 14.090 7.216 ( -3.693 -1.900 5.096) 6.574 7.258 ( -7.425 -1.809 4.606) 8.923 8.992 ( 15.332 0.244 1.095) 15.373 9.070 ( 12.341 -1.428 -1.899) 12.567 9.239 ( -9.150 -0.358 3.596) 9.837 9.324 ( -11.511 -1.987 1.044) 11.728 12.865 ( 19.945 4.922 1.406) 20.591 13.101 ( 3.527 2.548 -0.713) 4.409 13.235 ( 15.679 -3.363 -0.066) 16.035 13.273 ( 15.961 -1.484 0.018) 16.030 13.924 ( 18.865 6.105 2.431) 19.977 14.472 ( -22.545 -0.633 -0.782) 22.568 14.484 ( -12.544 -4.776 -1.755) 13.537 14.667 ( -20.275 -2.379 -1.173) 20.448 15.631 ( 26.890 9.531 -0.864) 28.542 15.954 ( -4.843 2.422 -0.492) 5.438 16.074 ( 5.021 -0.782 -0.341) 5.093 16.159 ( -2.634 -2.343 -2.014) 4.060 16.260 ( -0.965 1.774 0.251) 2.035 16.350 ( -10.223 3.402 -1.256) 10.847 16.657 ( 5.910 -7.472 -7.770) 12.293 16.794 ( -7.102 -6.497 -4.180) 10.494 19.578 ( 3.519 0.319 4.557) 5.767 19.624 ( 5.343 -0.709 3.248) 6.293 19.655 ( -3.979 0.815 2.408) 4.721 19.743 ( -6.490 -1.284 1.803) 6.858 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 0.40 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 13.535 13.737) 19.284 0.960 ( 0.000 16.229 11.894) 20.121 1.166 ( 0.000 -11.988 9.415) 15.243 1.330 ( 0.000 -18.357 9.000) 20.444 1.911 ( 0.000 30.084 6.849) 30.853 2.038 ( 0.000 1.846 -4.036) 4.438 2.058 ( 0.000 9.796 -0.910) 9.838 2.344 ( 0.000 10.243 2.081) 10.452 2.494 ( 0.000 -3.468 4.088) 5.360 2.586 ( 0.000 -24.272 5.881) 24.974 2.804 ( 0.000 -2.169 -3.918) 4.478 2.815 ( 0.000 -2.213 -1.155) 2.496 3.006 ( 0.000 1.292 0.298) 1.326 3.019 ( 0.000 0.270 -0.062) 0.277 3.125 ( 0.000 11.474 -5.467) 12.710 3.271 ( 0.000 0.044 8.801) 8.801 3.348 ( 0.000 -1.601 7.171) 7.347 3.419 ( 0.000 -11.405 -8.193) 14.042 3.542 ( 0.000 6.091 7.328) 9.528 3.657 ( 0.000 -4.060 2.753) 4.905 3.742 ( 0.000 6.258 4.633) 7.786 3.877 ( 0.000 -3.740 2.611) 4.561 3.934 ( 0.000 -0.975 5.069) 5.162 4.025 ( 0.000 -5.174 1.962) 5.534 4.140 ( 0.000 0.623 -6.949) 6.976 4.168 ( 0.000 -0.917 -6.817) 6.878 4.364 ( 0.000 3.179 3.358) 4.624 4.388 ( 0.000 4.909 2.474) 5.497 4.398 ( 0.000 -1.880 2.911) 3.465 4.484 ( 0.000 -2.508 -0.431) 2.545 4.505 ( 0.000 3.748 1.621) 4.083 4.571 ( 0.000 -4.152 0.726) 4.215 4.612 ( 0.000 -1.602 3.869) 4.187 4.711 ( 0.000 -12.504 11.988) 17.323 5.296 ( 0.000 5.381 -8.854) 10.361 5.403 ( 0.000 -5.361 -8.725) 10.240 5.462 ( 0.000 5.579 -1.165) 5.699 5.555 ( 0.000 -3.761 -2.052) 4.284 5.729 ( 0.000 5.366 -12.143) 13.276 5.759 ( 0.000 1.664 -8.063) 8.233 6.216 ( 0.000 0.692 -10.116) 10.140 6.231 ( 0.000 -0.897 -10.119) 10.159 7.060 ( 0.000 2.522 -13.069) 13.311 7.097 ( 0.000 -1.040 -17.393) 17.424 7.471 ( 0.000 1.130 6.201) 6.303 7.499 ( 0.000 -1.662 5.772) 6.007 7.994 ( 0.000 6.893 14.013) 15.616 8.087 ( 0.000 -1.189 11.851) 11.910 8.527 ( 0.000 0.351 0.990) 1.050 8.541 ( 0.000 -1.169 -0.638) 1.332 9.434 ( 0.000 -1.974 10.325) 10.512 9.475 ( 0.000 -4.224 4.634) 6.270 11.113 ( 0.000 0.134 0.022) 0.135 11.115 ( 0.000 -0.094 0.020) 0.096 11.780 ( 0.000 3.962 0.874) 4.058 11.856 ( 0.000 -3.699 0.319) 3.713 13.052 ( 0.000 0.028 0.078) 0.083 13.052 ( 0.000 -0.027 0.070) 0.075 15.533 ( 0.000 11.069 -25.478) 27.778 15.629 ( 0.000 -1.586 -11.236) 11.347 15.688 ( 0.000 2.507 -1.731) 3.047 15.741 ( 0.000 -2.337 -5.218) 5.717 15.951 ( 0.000 1.714 0.456) 1.774 15.968 ( 0.000 0.595 -1.850) 1.943 16.478 ( 0.000 4.057 -3.907) 5.633 16.560 ( 0.000 -3.868 -6.327) 7.415 16.980 ( 0.000 4.055 7.670) 8.676 17.084 ( 0.000 -6.760 8.194) 10.623 19.428 ( 0.000 4.345 12.081) 12.838 19.573 ( 0.000 -12.160 20.924) 24.201 19.926 ( 0.000 3.218 0.394) 3.242 19.991 ( 0.000 -3.328 1.260) 3.558 ======================= Grid point 64 (27/60) ======================= q-point: ( 0.11 0.40 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 7.341 17.042 5.609) 19.385 1.316 ( 11.572 -11.943 4.620) 17.260 1.401 ( 24.656 6.105 9.354) 27.068 1.572 ( 28.391 -7.009 8.576) 30.475 1.978 ( 8.401 22.126 6.836) 24.635 2.114 ( 4.616 12.432 2.719) 13.538 2.193 ( 8.052 -3.873 -4.927) 10.203 2.420 ( 9.047 3.078 1.899) 9.743 2.511 ( 5.246 0.159 4.981) 7.235 2.624 ( 5.808 -17.107 4.212) 18.551 2.853 ( -2.371 0.664 4.448) 5.084 2.874 ( 2.753 -0.749 1.853) 3.402 2.933 ( 0.324 4.192 -5.377) 6.826 3.037 ( 10.778 -4.576 -5.003) 12.733 3.161 ( 4.064 8.565 -2.346) 9.766 3.331 ( 2.328 -5.790 0.168) 6.243 3.437 ( 3.379 1.477 1.707) 4.063 3.486 ( 5.056 -5.515 -4.433) 8.696 3.532 ( 0.286 4.317 5.392) 6.914 3.635 ( -1.452 -4.446 3.625) 5.917 3.718 ( -3.309 3.903 2.896) 5.879 3.790 ( -8.437 -1.833 3.421) 9.287 3.872 ( -4.120 2.800 3.522) 6.101 3.980 ( -0.660 -6.079 4.740) 7.737 4.187 ( 3.584 1.415 -3.362) 5.114 4.246 ( 1.560 -3.757 -4.198) 5.846 4.281 ( -0.941 1.744 -1.680) 2.598 4.309 ( -3.951 -1.257 -0.603) 4.190 4.412 ( -1.678 2.333 -0.163) 2.878 4.483 ( -3.419 -1.541 1.445) 4.019 4.512 ( -0.491 0.601 2.974) 3.073 4.556 ( 4.465 -4.633 -0.271) 6.440 4.665 ( 5.062 2.337 3.681) 6.681 4.791 ( 4.272 -10.700 9.548) 14.964 5.275 ( -1.758 6.746 -7.956) 10.578 5.386 ( -2.362 -4.568 -8.012) 9.520 5.422 ( -3.725 6.745 -1.129) 7.787 5.520 ( -4.284 -3.117 -1.793) 5.594 5.685 ( 0.494 5.319 -5.836) 7.912 5.738 ( 1.424 -0.498 -4.894) 5.121 6.230 ( 0.473 0.618 -8.129) 8.166 6.244 ( 0.542 -0.775 -7.889) 7.945 7.025 ( -3.289 2.743 -12.563) 13.273 7.055 ( -3.298 0.176 -14.026) 14.410 7.576 ( 3.797 -0.536 7.552) 8.470 7.600 ( 4.510 -2.499 7.103) 8.777 8.004 ( 4.279 7.632 7.930) 11.808 8.109 ( 2.028 -2.284 1.801) 3.546 8.368 ( -14.009 1.957 0.707) 14.163 8.424 ( -9.487 -4.068 2.279) 10.571 9.453 ( 1.532 0.024 8.689) 8.823 9.504 ( 2.082 -4.081 4.518) 6.435 11.349 ( 23.440 1.291 -0.161) 23.476 11.370 ( 24.198 -0.842 -0.417) 24.217 11.882 ( 10.481 4.310 0.729) 11.356 11.965 ( 11.180 -3.962 -0.036) 11.862 13.366 ( 29.847 3.535 0.003) 30.055 13.478 ( 35.329 -8.902 -1.045) 36.448 15.497 ( -3.161 7.412 -24.686) 25.967 15.557 ( -7.381 -0.683 -11.689) 13.841 15.624 ( -6.504 2.759 -3.430) 7.854 15.671 ( -7.435 -1.550 -5.001) 9.093 15.942 ( -0.259 1.599 1.292) 2.072 15.969 ( 0.329 -0.681 -0.366) 0.840 16.460 ( -1.801 3.744 -3.188) 5.237 16.538 ( -2.308 -3.711 -5.506) 7.029 16.943 ( -3.566 3.621 7.072) 8.709 17.037 ( -4.407 -6.132 7.951) 10.966 19.431 ( 0.540 3.443 10.866) 11.411 19.539 ( -2.589 -8.405 18.137) 20.157 19.907 ( -1.937 3.185 0.415) 3.751 19.974 ( -1.924 -3.627 1.206) 4.280 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.22 0.40 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 12.464 13.292 -5.138) 18.932 1.463 ( 8.222 -15.769 -4.579) 18.363 1.713 ( 7.334 27.010 4.360) 28.326 2.059 ( 17.297 -2.713 4.677) 18.122 2.112 ( 1.830 1.435 1.614) 2.830 2.243 ( 2.661 -7.454 -4.813) 9.263 2.280 ( 9.221 6.651 15.784) 19.453 2.503 ( 0.382 -11.259 6.438) 12.975 2.648 ( -0.608 7.312 7.853) 10.747 2.739 ( -3.048 -4.034 6.665) 8.366 2.971 ( 13.019 8.178 -2.904) 15.646 2.985 ( 17.791 3.032 -4.988) 18.724 3.100 ( 11.963 3.608 -6.330) 14.007 3.194 ( -1.011 1.013 -2.330) 2.735 3.254 ( 0.827 -0.629 -4.408) 4.529 3.320 ( 1.750 -5.959 -6.257) 8.816 3.512 ( -2.476 1.721 8.251) 8.784 3.537 ( 5.815 0.351 5.196) 7.806 3.562 ( -3.281 -1.980 1.840) 4.251 3.609 ( 2.840 -2.589 2.778) 4.742 3.663 ( -0.659 -3.852 -5.934) 7.105 3.666 ( 6.696 -1.653 1.548) 7.069 3.819 ( -1.581 7.132 3.080) 7.928 3.978 ( -1.387 -8.194 1.640) 8.471 4.188 ( -0.375 1.864 -1.075) 2.184 4.248 ( 1.466 -4.242 -3.734) 5.838 4.329 ( 5.571 2.655 -1.600) 6.375 4.378 ( 2.460 -1.112 3.352) 4.304 4.397 ( 4.764 -0.586 -1.212) 4.950 4.437 ( 1.737 -2.959 -2.138) 4.042 4.584 ( 8.510 1.635 0.094) 8.666 4.640 ( 5.330 -3.858 -0.523) 6.600 4.783 ( 6.646 1.598 1.573) 7.014 4.848 ( 2.559 -4.657 2.705) 5.962 5.227 ( -3.285 5.222 -1.466) 6.341 5.302 ( -5.107 -2.608 -3.594) 6.768 5.367 ( -1.604 5.691 -1.299) 6.054 5.445 ( -2.794 -2.357 -1.176) 3.840 5.797 ( 10.081 3.224 -2.931) 10.982 5.848 ( 8.943 -1.945 -3.902) 9.949 6.214 ( -2.314 1.113 -4.942) 5.569 6.235 ( -1.772 -0.957 -4.953) 5.347 6.952 ( -3.675 3.451 -9.977) 11.179 6.989 ( -3.225 0.154 -10.135) 10.636 7.514 ( -8.858 -0.307 12.053) 14.961 7.534 ( -9.031 -1.861 11.815) 14.987 7.906 ( -21.449 2.243 -3.583) 21.862 7.940 ( -20.917 -1.054 -4.288) 21.378 8.329 ( 16.453 6.713 2.130) 17.897 8.471 ( 13.097 -7.402 -0.490) 15.052 9.463 ( -1.099 1.541 6.573) 6.840 9.519 ( -1.153 -3.674 3.999) 5.551 11.942 ( 36.509 1.906 -0.165) 36.559 11.972 ( 36.528 -1.018 -0.462) 36.545 12.167 ( 18.504 5.310 0.523) 19.258 12.269 ( 19.791 -4.971 -0.517) 20.412 14.011 ( 30.284 1.677 1.680) 30.376 14.050 ( 18.771 -2.140 2.579) 19.068 15.370 ( -11.030 2.485 -9.098) 14.512 15.382 ( -13.052 0.577 -2.547) 13.311 15.470 ( -11.525 2.256 -6.735) 13.538 15.543 ( 4.858 -4.033 -24.482) 25.283 15.956 ( 1.693 1.169 1.503) 2.548 15.989 ( 1.847 -2.187 0.897) 3.000 16.412 ( -3.055 3.052 -1.742) 4.656 16.478 ( -3.616 -3.287 -3.829) 6.208 16.854 ( -5.756 3.073 4.872) 8.143 16.935 ( -5.956 -5.315 5.735) 9.830 19.455 ( 2.074 1.807 8.163) 8.614 19.507 ( -0.344 -3.641 12.582) 13.103 19.853 ( -3.628 2.904 0.528) 4.677 19.915 ( -4.118 -3.405 1.059) 5.447 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.33 0.40 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 15.360 8.811 -11.900) 21.335 1.637 ( 9.527 -8.293 -9.898) 16.048 1.845 ( 7.674 20.776 3.080) 22.361 2.134 ( 2.645 5.146 -1.258) 5.921 2.210 ( -1.358 -10.204 5.738) 11.785 2.280 ( -1.537 -5.125 0.108) 5.352 2.358 ( 0.752 6.936 11.917) 13.809 2.543 ( 1.740 -9.124 2.528) 9.626 2.634 ( 2.644 3.803 3.925) 6.071 2.690 ( -0.118 -2.425 2.286) 3.335 2.942 ( -7.940 6.029 -7.350) 12.386 3.058 ( -5.741 -5.363 -5.408) 9.538 3.118 ( 2.793 12.250 -3.213) 12.969 3.184 ( -6.697 3.921 0.016) 7.760 3.278 ( -11.819 1.137 2.452) 12.124 3.305 ( -7.117 -3.896 0.830) 8.156 3.357 ( -9.376 0.837 4.410) 10.396 3.534 ( 7.682 -11.115 -0.993) 13.547 3.626 ( -3.887 10.333 0.445) 11.049 3.749 ( 11.800 2.140 4.306) 12.742 3.796 ( 8.031 -2.314 -1.744) 8.538 3.888 ( 4.839 -12.468 1.517) 13.459 3.951 ( 15.515 1.258 -0.878) 15.591 3.989 ( 10.047 -2.470 -3.846) 11.038 4.223 ( 0.677 -0.877 1.267) 1.684 4.270 ( 1.569 -4.653 0.996) 5.010 4.345 ( 0.073 2.251 3.775) 4.396 4.392 ( -1.156 -2.244 1.854) 3.132 4.569 ( 10.607 3.210 -6.443) 12.819 4.630 ( 12.056 -2.213 -5.705) 13.520 4.841 ( 17.114 0.491 0.043) 17.121 4.863 ( 15.010 -2.017 -1.907) 15.264 4.898 ( 3.395 0.564 0.444) 3.470 4.915 ( 9.354 -0.650 -0.330) 9.382 5.182 ( 0.574 4.234 0.695) 4.329 5.243 ( 0.257 -1.924 -1.578) 2.501 5.354 ( 0.603 3.643 -1.121) 3.859 5.404 ( -1.052 -1.279 -0.694) 1.795 6.032 ( 13.374 1.332 -2.880) 13.745 6.058 ( 12.812 -1.398 -4.041) 13.506 6.131 ( -6.541 1.462 -2.367) 7.108 6.161 ( -6.325 -1.439 -2.478) 6.944 6.903 ( -1.259 4.175 -4.442) 6.224 6.949 ( -0.597 0.191 -4.633) 4.675 7.265 ( -18.447 -0.006 5.708) 19.309 7.302 ( -16.114 -2.957 5.698) 17.345 7.451 ( -21.799 2.843 1.244) 22.019 7.494 ( -21.396 -1.358 0.546) 21.446 8.683 ( 18.221 3.099 -0.332) 18.486 8.755 ( 15.109 -4.161 -2.122) 15.814 9.398 ( -5.747 1.713 4.567) 7.538 9.448 ( -6.309 -3.115 3.018) 7.656 12.567 ( 22.371 6.666 0.434) 23.347 12.669 ( 33.237 0.188 -0.757) 33.246 12.696 ( 33.071 -2.144 -0.279) 33.142 12.707 ( 31.057 -3.801 0.054) 31.288 14.115 ( -5.864 11.616 3.140) 13.385 14.350 ( 0.855 -12.524 1.532) 12.646 15.032 ( -22.534 1.666 0.054) 22.596 15.062 ( -21.339 -1.327 -0.410) 21.384 15.477 ( 15.144 17.445 -11.214) 25.679 15.778 ( 15.619 -12.073 -16.408) 25.670 16.001 ( 2.684 0.915 1.180) 3.071 16.038 ( 3.056 -3.595 0.621) 4.759 16.350 ( -3.098 2.837 -0.785) 4.274 16.416 ( -2.119 -3.624 -3.284) 5.330 16.709 ( -9.533 3.623 2.225) 10.439 16.806 ( -7.582 -6.029 1.698) 9.835 19.512 ( 3.689 0.582 5.552) 6.692 19.529 ( 2.601 -1.209 7.531) 8.059 19.772 ( -4.690 2.338 0.982) 5.331 19.821 ( -5.443 -2.683 1.167) 6.180 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.44 0.40 0.14) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 14.639 5.359 -8.108) 17.571 1.820 ( 8.631 1.698 -4.640) 9.946 1.962 ( 1.215 4.870 0.240) 5.025 2.063 ( -11.293 -2.512 1.323) 11.644 2.215 ( 3.662 2.740 -1.125) 4.710 2.233 ( -0.011 4.101 -3.891) 5.653 2.342 ( -0.407 1.237 -1.033) 1.663 2.451 ( -8.838 -5.157 -4.282) 11.092 2.760 ( 7.953 1.410 2.067) 8.337 2.798 ( 10.086 -2.448 1.421) 10.476 2.875 ( -0.089 5.886 1.037) 5.977 2.975 ( -6.549 -1.061 -0.297) 6.641 3.018 ( -7.918 1.523 2.679) 8.497 3.048 ( -6.910 0.956 1.656) 7.169 3.063 ( -5.320 -2.485 0.372) 5.884 3.142 ( -7.573 -5.282 2.285) 9.512 3.346 ( 6.480 13.676 0.781) 15.154 3.496 ( -8.038 11.079 0.904) 13.718 3.634 ( 4.531 -13.450 -2.055) 14.341 3.730 ( -5.419 -10.999 0.149) 12.262 3.960 ( 8.117 4.614 2.986) 9.802 4.068 ( 0.338 -0.742 0.655) 1.045 4.091 ( 5.715 -2.469 -0.558) 6.251 4.172 ( 1.409 -5.524 -2.785) 6.345 4.248 ( 6.545 -0.426 -1.409) 6.709 4.292 ( 1.875 -5.726 1.301) 6.164 4.347 ( -1.487 0.375 -1.306) 2.015 4.355 ( -3.370 -0.275 -1.893) 3.876 4.751 ( 7.919 3.868 -2.123) 9.065 4.809 ( 5.704 0.024 -2.243) 6.130 4.885 ( -1.869 -0.938 0.793) 2.237 4.925 ( -2.278 -3.018 0.089) 3.782 5.125 ( 7.646 3.806 0.371) 8.549 5.157 ( 8.817 0.129 0.604) 8.838 5.234 ( -3.066 3.579 -4.561) 6.558 5.276 ( -2.317 -0.844 -4.547) 5.173 5.533 ( 23.173 2.924 0.450) 23.361 5.589 ( 21.003 -2.681 0.705) 21.185 5.925 ( -15.089 1.844 -0.353) 15.205 5.962 ( -14.824 -1.830 -0.579) 14.947 6.332 ( 18.154 1.043 -4.270) 18.679 6.361 ( 19.085 -1.966 -4.223) 19.646 6.758 ( -22.946 1.347 -2.101) 23.081 6.792 ( -23.869 -1.845 -3.265) 24.162 6.987 ( 2.640 5.352 1.784) 6.229 7.026 ( -0.908 2.714 -0.198) 2.869 7.173 ( -8.538 -1.374 6.264) 10.679 7.206 ( -9.981 -3.367 5.274) 11.780 9.004 ( 14.740 1.094 0.480) 14.788 9.034 ( 13.751 -1.978 -0.613) 13.906 9.244 ( -10.186 1.094 2.382) 10.518 9.279 ( -11.041 -2.356 1.460) 11.384 12.987 ( 19.646 7.207 0.517) 20.932 13.115 ( 17.734 -4.675 -1.149) 18.376 13.184 ( 8.147 1.566 0.820) 8.337 13.234 ( 12.630 -2.566 -0.017) 12.888 14.086 ( 11.395 10.285 1.197) 15.397 14.295 ( 3.239 -10.934 -0.813) 11.433 14.534 ( -28.091 3.642 0.288) 28.328 14.607 ( -24.054 -3.702 -0.447) 24.342 15.851 ( 17.584 11.881 -3.887) 21.574 15.997 ( 3.754 0.165 -2.538) 4.534 16.047 ( 2.484 -1.601 -0.516) 3.000 16.085 ( 0.466 -4.634 -0.735) 4.715 16.322 ( 1.770 4.946 -0.893) 5.328 16.427 ( 0.353 -0.199 -4.495) 4.513 16.509 ( -6.134 -1.806 -1.066) 6.482 16.638 ( -9.786 -9.003 -2.709) 13.571 19.588 ( 4.285 0.753 3.996) 5.908 19.606 ( 5.064 -1.014 3.495) 6.236 19.678 ( -4.893 1.586 2.093) 5.553 19.712 ( -5.749 -1.842 1.873) 6.321 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 0.000 13.089) 13.089 1.033 ( 0.000 0.000 21.776) 21.776 1.604 ( 0.000 0.000 31.624) 31.624 1.636 ( 0.000 0.000 -16.264) 16.264 1.689 ( 0.000 0.000 2.007) 2.007 1.743 ( 0.000 0.000 1.806) 1.806 2.027 ( 0.000 0.000 8.190) 8.190 2.047 ( 0.000 0.000 10.772) 10.772 2.432 ( 0.000 0.000 -0.023) 0.023 2.574 ( 0.000 0.000 -13.179) 13.179 2.848 ( 0.000 0.000 -0.054) 0.054 2.868 ( 0.000 0.000 -5.320) 5.320 2.920 ( 0.000 0.000 -3.222) 3.222 2.977 ( 0.000 0.000 1.615) 1.615 3.121 ( 0.000 0.000 5.457) 5.457 3.534 ( 0.000 0.000 11.594) 11.594 3.559 ( 0.000 0.000 -5.807) 5.807 3.632 ( 0.000 0.000 9.875) 9.875 3.660 ( 0.000 0.000 5.117) 5.117 3.732 ( 0.000 0.000 -2.863) 2.863 3.738 ( 0.000 0.000 8.151) 8.151 3.854 ( 0.000 0.000 -7.162) 7.162 4.039 ( 0.000 0.000 -7.828) 7.828 4.121 ( 0.000 0.000 5.447) 5.447 4.205 ( 0.000 0.000 2.505) 2.505 4.261 ( 0.000 0.000 3.531) 3.531 4.310 ( 0.000 0.000 -4.175) 4.175 4.360 ( 0.000 0.000 8.405) 8.405 4.391 ( 0.000 0.000 -8.711) 8.711 4.531 ( 0.000 0.000 2.309) 2.309 4.588 ( 0.000 0.000 12.313) 12.313 4.721 ( 0.000 0.000 2.085) 2.085 4.806 ( 0.000 0.000 -4.180) 4.180 4.921 ( 0.000 0.000 0.693) 0.693 5.170 ( 0.000 0.000 0.006) 0.006 5.250 ( 0.000 0.000 -0.784) 0.784 5.385 ( 0.000 0.000 -10.865) 10.865 5.425 ( 0.000 0.000 -6.229) 6.229 5.538 ( 0.000 0.000 1.393) 1.393 5.610 ( 0.000 0.000 -3.302) 3.302 5.939 ( 0.000 0.000 -15.141) 15.141 5.970 ( 0.000 0.000 -19.396) 19.396 6.749 ( 0.000 0.000 -7.346) 7.346 6.804 ( 0.000 0.000 -7.743) 7.743 7.636 ( 0.000 0.000 9.649) 9.649 7.748 ( 0.000 0.000 8.631) 8.631 7.975 ( 0.000 0.000 8.769) 8.769 8.011 ( 0.000 0.000 7.870) 7.870 8.420 ( 0.000 0.000 -3.973) 3.973 8.509 ( 0.000 0.000 -4.399) 4.399 9.692 ( 0.000 0.000 6.496) 6.496 10.042 ( 0.000 0.000 -3.340) 3.340 11.108 ( 0.000 0.000 0.041) 0.041 11.115 ( 0.000 0.000 -0.121) 0.121 11.726 ( 0.000 0.000 2.323) 2.323 11.887 ( 0.000 0.000 -2.249) 2.249 13.053 ( 0.000 0.000 0.090) 0.090 13.054 ( 0.000 0.000 0.053) 0.053 14.535 ( 0.000 0.000 11.942) 11.942 15.422 ( 0.000 0.000 -13.345) 13.345 15.655 ( 0.000 0.000 0.638) 0.638 15.738 ( 0.000 0.000 -1.799) 1.799 15.914 ( 0.000 0.000 0.030) 0.030 15.915 ( 0.000 0.000 0.160) 0.160 16.423 ( 0.000 0.000 0.140) 0.140 16.527 ( 0.000 0.000 -4.223) 4.223 17.031 ( 0.000 0.000 5.633) 5.633 17.279 ( 0.000 0.000 -2.266) 2.266 19.524 ( 0.000 0.000 8.494) 8.494 19.838 ( 0.000 0.000 -1.555) 1.555 20.136 ( 0.000 0.000 4.348) 4.348 20.425 ( 0.000 0.000 -3.566) 3.566 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.11 0.00 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 7.310 0.000 13.418) 15.280 1.146 ( -0.530 0.000 24.386) 24.391 1.717 ( 7.598 0.000 -14.666) 16.517 1.789 ( 6.454 0.000 2.297) 6.851 1.908 ( 29.162 0.000 17.774) 34.152 1.985 ( 3.248 0.000 9.474) 10.015 2.129 ( 30.386 0.000 0.149) 30.386 2.212 ( 16.861 0.000 5.058) 17.603 2.364 ( -2.657 0.000 -1.816) 3.219 2.707 ( 6.798 0.000 -7.419) 10.062 2.812 ( -4.757 0.000 -0.421) 4.776 2.926 ( 7.209 0.000 1.619) 7.388 2.928 ( 6.342 0.000 -4.488) 7.770 3.031 ( -1.918 0.000 3.867) 4.316 3.148 ( 6.673 0.000 1.492) 6.838 3.475 ( -10.292 0.000 5.915) 11.870 3.548 ( -5.278 0.000 0.434) 5.296 3.587 ( 2.224 0.000 -8.053) 8.355 3.630 ( -3.018 0.000 5.974) 6.693 3.713 ( 0.371 0.000 5.163) 5.176 3.718 ( -0.116 0.000 5.570) 5.571 3.831 ( -3.384 0.000 -2.018) 3.939 3.958 ( -5.385 0.000 3.309) 6.320 4.141 ( -2.396 0.000 -0.065) 2.397 4.144 ( -3.150 0.000 0.387) 3.174 4.270 ( -3.028 0.000 -5.636) 6.398 4.294 ( -4.049 0.000 -3.522) 5.367 4.377 ( 8.042 0.000 2.060) 8.302 4.429 ( 2.113 0.000 4.417) 4.896 4.465 ( -1.722 0.000 5.221) 5.497 4.604 ( 1.790 0.000 5.221) 5.520 4.697 ( -0.149 0.000 1.111) 1.121 4.812 ( 0.713 0.000 -3.788) 3.854 4.880 ( -3.858 0.000 -0.912) 3.965 5.157 ( -1.266 0.000 -0.194) 1.281 5.303 ( -4.754 0.000 -4.037) 6.237 5.402 ( -2.275 0.000 -6.366) 6.761 5.434 ( 9.630 0.000 5.848) 11.267 5.451 ( -1.353 0.000 -1.261) 1.849 5.649 ( 4.164 0.000 -5.147) 6.621 5.988 ( 4.446 0.000 -14.387) 15.058 6.058 ( 4.991 0.000 -14.802) 15.621 6.726 ( -1.924 0.000 -6.471) 6.751 6.798 ( -0.554 0.000 -7.254) 7.275 7.795 ( 13.074 0.000 3.716) 13.592 7.895 ( 10.545 0.000 4.226) 11.360 7.928 ( -4.867 0.000 8.383) 9.693 7.939 ( -7.068 0.000 8.261) 10.872 8.250 ( -15.521 0.000 -3.606) 15.934 8.419 ( -7.070 0.000 -6.065) 9.316 9.709 ( 1.066 0.000 6.025) 6.118 9.899 ( -10.138 0.000 4.440) 11.067 11.318 ( 21.814 0.000 0.407) 21.818 11.358 ( 23.623 0.000 -0.678) 23.633 11.823 ( 9.880 0.000 2.494) 10.190 12.003 ( 11.723 0.000 -2.574) 12.002 13.326 ( 27.283 0.000 1.028) 27.302 13.749 ( 57.059 0.000 -22.423) 61.307 14.465 ( -7.083 0.000 11.601) 13.593 15.328 ( -9.573 0.000 -13.108) 16.231 15.585 ( -7.298 0.000 0.699) 7.331 15.666 ( -7.507 0.000 -1.477) 7.651 15.916 ( 0.824 0.000 0.432) 0.930 15.941 ( 2.014 0.000 -0.296) 2.036 16.413 ( -1.099 0.000 0.161) 1.110 16.510 ( -1.814 0.000 -3.921) 4.321 16.997 ( -3.517 0.000 5.433) 6.472 17.236 ( -4.368 0.000 -1.821) 4.732 19.529 ( 0.531 0.000 7.935) 7.953 19.822 ( -1.607 0.000 -1.395) 2.128 20.088 ( -5.216 0.000 4.920) 7.170 20.274 ( -12.434 0.000 2.401) 12.663 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.22 0.00 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 13.637 0.000 12.506) 18.504 1.065 ( -3.038 0.000 15.466) 15.762 1.839 ( 4.366 0.000 -3.180) 5.401 1.874 ( -4.463 0.000 -3.051) 5.406 1.919 ( 7.236 0.000 -7.889) 10.705 2.323 ( 0.314 0.000 -6.485) 6.493 2.546 ( 15.199 0.000 9.839) 18.105 2.564 ( 14.104 0.000 8.246) 16.338 2.681 ( 12.300 0.000 -7.225) 14.265 2.750 ( 0.896 0.000 15.244) 15.270 2.763 ( 1.649 0.000 -2.432) 2.938 2.915 ( -6.021 0.000 5.626) 8.240 3.139 ( 12.531 0.000 -0.612) 12.546 3.146 ( 5.174 0.000 -2.517) 5.753 3.278 ( 0.917 0.000 4.144) 4.244 3.292 ( 9.648 0.000 -6.649) 11.717 3.476 ( 0.156 0.000 -0.736) 0.753 3.485 ( -7.564 0.000 -2.494) 7.964 3.683 ( -7.625 0.000 1.894) 7.857 3.718 ( -0.612 0.000 10.424) 10.442 3.765 ( 5.576 0.000 -0.098) 5.577 3.784 ( -6.540 0.000 0.841) 6.594 3.808 ( 10.873 0.000 -0.738) 10.899 4.089 ( -2.141 0.000 -8.599) 8.862 4.126 ( 2.428 0.000 -1.455) 2.830 4.256 ( 1.726 0.000 2.391) 2.949 4.313 ( 7.304 0.000 -0.291) 7.310 4.469 ( 2.568 0.000 5.758) 6.305 4.473 ( 1.295 0.000 0.142) 1.303 4.538 ( 7.816 0.000 0.784) 7.855 4.632 ( 2.268 0.000 0.829) 2.414 4.756 ( 3.908 0.000 1.478) 4.178 4.827 ( 1.284 0.000 -4.586) 4.763 4.841 ( 2.421 0.000 -2.834) 3.727 5.124 ( -2.098 0.000 -0.980) 2.316 5.207 ( -5.405 0.000 2.516) 5.961 5.342 ( -3.924 0.000 -6.623) 7.698 5.362 ( -2.318 0.000 3.846) 4.491 5.733 ( 14.794 0.000 2.613) 15.023 5.770 ( 8.417 0.000 -7.543) 11.302 6.057 ( 1.988 0.000 -9.938) 10.135 6.128 ( 2.357 0.000 -8.106) 8.442 6.698 ( -0.263 0.000 -3.868) 3.877 6.793 ( 0.452 0.000 -5.265) 5.284 7.761 ( -10.879 0.000 8.553) 13.839 7.780 ( -18.421 0.000 -3.282) 18.711 7.791 ( -9.246 0.000 7.485) 11.896 7.802 ( -23.838 0.000 -2.506) 23.969 8.228 ( 19.391 0.000 1.440) 19.444 8.454 ( 11.729 0.000 -6.878) 13.597 9.700 ( -2.708 0.000 4.891) 5.591 9.726 ( -8.322 0.000 7.679) 11.323 11.896 ( 36.172 0.000 0.494) 36.175 11.955 ( 35.900 0.000 -1.163) 35.919 12.097 ( 18.670 0.000 3.077) 18.921 12.321 ( 20.769 0.000 -3.260) 21.023 14.017 ( 41.934 0.000 2.526) 42.010 14.271 ( -12.770 0.000 10.699) 16.660 14.808 ( 48.457 0.000 -31.723) 57.918 15.067 ( -17.098 0.000 -12.156) 20.979 15.373 ( -14.908 0.000 0.827) 14.931 15.449 ( -15.071 0.000 -1.057) 15.108 15.946 ( 2.230 0.000 0.655) 2.324 15.989 ( 2.879 0.000 -0.796) 2.987 16.382 ( -2.094 0.000 0.215) 2.105 16.459 ( -3.322 0.000 -3.044) 4.506 16.896 ( -7.065 0.000 4.531) 8.393 17.117 ( -7.766 0.000 -1.648) 7.939 19.548 ( 1.601 0.000 6.466) 6.661 19.780 ( -2.604 0.000 -0.614) 2.676 19.934 ( -9.386 0.000 8.727) 12.817 20.070 ( -8.224 0.000 3.078) 8.781 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.33 0.00 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 12.128 0.000 1.620) 12.235 1.311 ( 16.922 0.000 10.642) 19.990 1.843 ( 1.865 0.000 -10.373) 10.539 1.898 ( 1.649 0.000 2.212) 2.759 2.054 ( 6.489 0.000 -10.744) 12.552 2.329 ( -0.809 0.000 -6.427) 6.478 2.470 ( -18.544 0.000 -0.765) 18.560 2.564 ( -14.037 0.000 -2.828) 14.319 2.688 ( 0.401 0.000 6.678) 6.690 2.767 ( 3.004 0.000 10.535) 10.955 2.775 ( -1.217 0.000 -0.081) 1.220 2.919 ( 7.294 0.000 4.504) 8.572 3.085 ( -7.371 0.000 -0.621) 7.397 3.180 ( 0.520 0.000 -0.575) 0.775 3.323 ( -8.632 0.000 -0.984) 8.688 3.361 ( -13.896 0.000 2.360) 14.095 3.404 ( -2.329 0.000 -2.833) 3.668 3.490 ( -5.117 0.000 -2.416) 5.659 3.507 ( 4.214 0.000 -9.287) 10.199 3.804 ( -1.499 0.000 1.343) 2.012 3.898 ( 19.420 0.000 16.471) 25.464 3.996 ( 5.109 0.000 -9.931) 11.168 4.014 ( 17.213 0.000 5.137) 17.963 4.125 ( 4.193 0.000 -1.339) 4.401 4.212 ( 4.895 0.000 1.341) 5.075 4.378 ( 9.962 0.000 0.720) 9.988 4.412 ( -0.045 0.000 0.950) 0.951 4.525 ( 5.558 0.000 -3.342) 6.486 4.572 ( 9.270 0.000 5.388) 10.722 4.653 ( 3.803 0.000 -1.793) 4.204 4.818 ( 14.868 0.000 -4.151) 15.437 4.858 ( 11.011 0.000 -0.225) 11.013 4.906 ( 4.174 0.000 -1.942) 4.603 4.941 ( 9.493 0.000 -1.601) 9.627 5.076 ( -3.013 0.000 -2.746) 4.077 5.106 ( -2.791 0.000 4.475) 5.273 5.252 ( -5.448 0.000 -6.440) 8.435 5.380 ( 5.493 0.000 3.267) 6.391 5.931 ( 8.788 0.000 -7.956) 11.854 5.993 ( 6.823 0.000 -1.413) 6.968 6.078 ( 4.383 0.000 -4.525) 6.300 6.142 ( -0.817 0.000 -2.595) 2.720 6.736 ( 4.424 0.000 0.216) 4.430 6.830 ( 3.411 0.000 -1.545) 3.745 7.261 ( -30.808 0.000 -3.721) 31.032 7.309 ( -28.213 0.000 -5.761) 28.795 7.538 ( -11.702 0.000 7.786) 14.055 7.584 ( -11.714 0.000 6.236) 13.270 8.637 ( 21.400 0.000 0.382) 21.403 8.737 ( 16.046 0.000 -4.320) 16.617 9.551 ( -10.311 0.000 6.370) 12.120 9.591 ( -8.693 0.000 3.329) 9.308 12.457 ( 21.866 0.000 2.771) 22.041 12.624 ( 33.379 0.000 -1.311) 33.404 12.705 ( 37.723 0.000 -0.025) 37.723 12.788 ( 28.219 0.000 -2.344) 28.316 14.003 ( -13.411 0.000 9.443) 16.402 14.703 ( -19.342 0.000 -10.589) 22.051 14.845 ( 42.019 0.000 3.085) 42.132 15.007 ( -23.224 0.000 0.973) 23.244 15.090 ( -21.881 0.000 -1.107) 21.909 15.568 ( 30.446 0.000 -21.787) 37.438 15.998 ( 3.019 0.000 0.598) 3.078 16.047 ( 2.991 0.000 -1.845) 3.515 16.332 ( -3.068 0.000 0.520) 3.112 16.391 ( -3.509 0.000 -2.302) 4.196 16.720 ( -10.975 0.000 2.496) 11.256 16.942 ( -10.354 0.000 -3.497) 10.929 19.593 ( 3.061 0.000 4.630) 5.550 19.730 ( -2.249 0.000 1.259) 2.577 19.787 ( -5.493 0.000 7.658) 9.425 19.926 ( -7.051 0.000 1.877) 7.297 ======================= Grid point 94 (35/60) ======================= q-point: ( 0.44 0.00 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 22.995 0.000 -5.298) 23.597 1.634 ( 15.597 0.000 8.255) 17.647 1.862 ( -6.836 0.000 4.659) 8.272 1.901 ( -6.247 0.000 -12.016) 13.543 2.082 ( -8.742 0.000 -4.165) 9.683 2.166 ( 5.331 0.000 -6.708) 8.568 2.266 ( -5.012 0.000 -5.466) 7.416 2.266 ( -15.662 0.000 -8.271) 17.711 2.715 ( 3.685 0.000 2.878) 4.676 2.778 ( -0.469 0.000 0.596) 0.758 2.880 ( 8.632 0.000 7.946) 11.732 2.959 ( -2.827 0.000 -1.544) 3.222 3.001 ( -2.197 0.000 -2.280) 3.166 3.091 ( -12.993 0.000 5.185) 13.990 3.215 ( 1.165 0.000 3.329) 3.527 3.227 ( 3.956 0.000 1.598) 4.267 3.318 ( -5.171 0.000 -0.230) 5.176 3.324 ( -7.770 0.000 1.697) 7.953 3.643 ( 5.882 0.000 -12.181) 13.527 3.740 ( -4.349 0.000 -7.306) 8.503 4.076 ( 3.806 0.000 -0.254) 3.814 4.133 ( 6.787 0.000 6.885) 9.668 4.139 ( -2.181 0.000 0.507) 2.239 4.205 ( 0.796 0.000 2.083) 2.230 4.279 ( 4.543 0.000 5.457) 7.101 4.364 ( -3.613 0.000 1.163) 3.795 4.566 ( 8.100 0.000 -2.753) 8.555 4.664 ( -1.959 0.000 -1.720) 2.607 4.679 ( 8.810 0.000 -0.315) 8.815 4.799 ( 11.236 0.000 -0.113) 11.237 4.832 ( -6.307 0.000 2.889) 6.937 4.954 ( -3.111 0.000 -0.497) 3.150 5.028 ( 4.119 0.000 -1.503) 4.385 5.035 ( 2.220 0.000 -5.613) 6.037 5.070 ( 0.636 0.000 2.536) 2.614 5.135 ( -6.342 0.000 -5.414) 8.338 5.473 ( 30.339 0.000 1.845) 30.395 5.652 ( 20.436 0.000 1.239) 20.474 5.905 ( -11.859 0.000 0.955) 11.897 5.978 ( -8.399 0.000 -2.226) 8.689 6.208 ( 12.304 0.000 -5.716) 13.567 6.312 ( 14.623 0.000 -6.979) 16.203 6.665 ( -27.753 0.000 -5.534) 28.299 6.765 ( -26.247 0.000 -7.580) 27.319 6.855 ( 6.592 0.000 4.022) 7.722 6.903 ( 2.507 0.000 3.042) 3.942 7.347 ( -6.249 0.000 5.523) 8.340 7.375 ( -8.395 0.000 4.691) 9.616 9.018 ( 17.324 0.000 1.295) 17.373 9.051 ( 16.315 0.000 -0.854) 16.337 9.324 ( -13.067 0.000 3.480) 13.522 9.370 ( -13.985 0.000 1.387) 14.054 12.865 ( 19.403 0.000 3.078) 19.645 13.054 ( 7.447 0.000 -1.697) 7.638 13.261 ( 14.472 0.000 0.076) 14.472 13.288 ( 15.650 0.000 -0.246) 15.652 13.949 ( 16.312 0.000 5.603) 17.247 14.425 ( -5.904 0.000 -7.191) 9.304 14.485 ( -28.811 0.000 1.256) 28.839 14.647 ( -21.905 0.000 -2.767) 22.079 15.566 ( 31.117 0.000 2.731) 31.237 15.913 ( 0.190 0.000 -2.198) 2.206 16.064 ( 4.442 0.000 -2.114) 4.919 16.096 ( 1.563 0.000 -4.408) 4.677 16.270 ( -2.548 0.000 1.609) 3.013 16.308 ( -5.902 0.000 -0.116) 5.903 16.567 ( 0.544 0.000 -5.413) 5.440 16.726 ( -11.653 0.000 -7.491) 13.853 19.659 ( 3.187 0.000 3.390) 4.653 19.701 ( -1.504 0.000 2.447) 2.872 19.726 ( 0.278 0.000 5.009) 5.017 19.800 ( -5.888 0.000 2.131) 6.262 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.20 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 16.114 12.541) 20.419 1.077 ( 0.000 4.411 19.931) 20.413 1.518 ( 0.000 -7.086 9.014) 11.466 1.730 ( 0.000 7.658 8.864) 11.714 1.782 ( 0.000 -1.686 -2.497) 3.013 1.882 ( 0.000 5.878 -5.621) 8.133 1.932 ( 0.000 15.034 14.186) 20.670 2.086 ( 0.000 0.359 10.042) 10.048 2.476 ( 0.000 3.628 -0.339) 3.644 2.670 ( 0.000 6.410 -9.549) 11.501 2.805 ( 0.000 -2.393 -2.254) 3.287 2.817 ( 0.000 -4.720 -5.352) 7.136 2.929 ( 0.000 -1.905 -3.059) 3.603 2.988 ( 0.000 -0.045 -1.343) 1.344 3.139 ( 0.000 2.132 8.104) 8.379 3.478 ( 0.000 -6.112 -2.433) 6.578 3.554 ( 0.000 0.060 9.600) 9.600 3.605 ( 0.000 -1.660 10.869) 10.995 3.672 ( 0.000 0.373 6.157) 6.169 3.733 ( 0.000 0.541 0.171) 0.568 3.765 ( 0.000 2.420 7.485) 7.867 3.844 ( 0.000 -0.873 -5.844) 5.909 3.963 ( 0.000 -4.702 -7.262) 8.651 4.081 ( 0.000 -2.863 5.057) 5.811 4.200 ( 0.000 -5.576 3.348) 6.504 4.240 ( 0.000 -1.496 2.700) 3.087 4.292 ( 0.000 1.182 -1.407) 1.838 4.353 ( 0.000 0.731 3.243) 3.324 4.393 ( 0.000 -0.585 -6.898) 6.923 4.512 ( 0.000 -1.527 -0.902) 1.773 4.603 ( 0.000 0.942 9.775) 9.820 4.711 ( 0.000 -4.144 4.212) 5.909 4.715 ( 0.000 -0.224 4.864) 4.869 5.019 ( 0.000 2.238 -4.620) 5.133 5.219 ( 0.000 7.605 -7.151) 10.439 5.269 ( 0.000 -9.408 5.142) 10.722 5.285 ( 0.000 -6.116 -11.736) 13.233 5.439 ( 0.000 0.892 -0.102) 0.897 5.492 ( 0.000 2.665 -5.172) 5.818 5.608 ( 0.000 -0.313 -5.200) 5.210 5.936 ( 0.000 -0.255 -15.674) 15.676 5.950 ( 0.000 -1.158 -18.692) 18.728 6.793 ( 0.000 3.285 -8.466) 9.081 6.822 ( 0.000 1.512 -7.549) 7.699 7.626 ( 0.000 -0.698 8.837) 8.864 7.688 ( 0.000 -3.327 7.931) 8.600 8.090 ( 0.000 7.272 9.105) 11.653 8.137 ( 0.000 10.966 7.297) 13.172 8.448 ( 0.000 2.980 -4.216) 5.163 8.505 ( 0.000 -0.238 -4.033) 4.040 9.656 ( 0.000 -3.473 6.015) 6.946 9.862 ( 0.000 -14.882 3.376) 15.260 11.110 ( 0.000 0.194 0.031) 0.196 11.115 ( 0.000 0.040 -0.071) 0.082 11.748 ( 0.000 2.173 2.070) 3.001 11.887 ( 0.000 -0.526 -1.774) 1.851 13.053 ( 0.000 0.022 0.095) 0.098 13.054 ( 0.000 0.000 0.063) 0.063 14.764 ( 0.000 19.516 -0.670) 19.528 15.403 ( 0.000 -2.215 -13.828) 14.004 15.663 ( 0.000 0.725 0.507) 0.885 15.729 ( 0.000 -0.921 -1.501) 1.761 15.929 ( 0.000 1.372 0.115) 1.377 15.930 ( 0.000 1.337 0.061) 1.338 16.424 ( 0.000 0.205 -0.039) 0.209 16.513 ( 0.000 -1.493 -3.883) 4.160 17.046 ( 0.000 1.624 5.234) 5.481 17.247 ( 0.000 -3.154 -0.985) 3.305 19.559 ( 0.000 3.708 9.198) 9.917 19.863 ( 0.000 2.498 -1.196) 2.770 20.104 ( 0.000 -3.149 3.622) 4.800 20.234 ( 0.000 -16.754 4.212) 17.275 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.11 0.20 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 3.443 11.842 14.824) 19.283 1.293 ( 6.063 15.248 16.600) 23.341 1.736 ( 10.417 -7.233 5.395) 13.781 1.778 ( 6.145 -6.603 1.889) 9.216 1.911 ( 6.421 10.076 -7.108) 13.902 2.022 ( 22.091 9.515 11.956) 26.860 2.120 ( 23.259 2.987 5.010) 23.979 2.262 ( 18.187 2.236 5.240) 19.058 2.482 ( 0.875 7.672 0.249) 7.726 2.685 ( -0.359 -1.123 -6.920) 7.020 2.829 ( 2.000 0.367 -2.315) 3.081 2.875 ( 7.970 -1.851 -5.044) 9.612 2.953 ( 1.324 -1.686 -0.077) 2.145 3.022 ( 3.578 -1.403 2.437) 4.551 3.163 ( 4.195 1.747 3.855) 5.959 3.450 ( -6.633 -3.647 2.498) 7.971 3.503 ( -5.051 -2.510 -0.893) 5.710 3.568 ( -2.209 -1.799 1.931) 3.442 3.642 ( -0.627 1.053 5.795) 5.923 3.720 ( -1.729 2.239 4.140) 5.014 3.752 ( 0.845 1.393 4.893) 5.157 3.824 ( -3.387 -0.481 -0.421) 3.447 3.916 ( -2.803 -3.474 0.929) 4.559 4.082 ( -2.354 -2.460 0.810) 3.500 4.184 ( -1.923 0.838 0.647) 2.195 4.256 ( -5.458 -2.962 -2.534) 6.707 4.282 ( 1.050 -3.984 -1.572) 4.410 4.316 ( -0.116 1.072 -1.177) 1.596 4.369 ( 2.203 -3.274 3.127) 5.035 4.551 ( 2.041 3.686 4.325) 6.038 4.584 ( 1.845 -2.984 2.995) 4.613 4.645 ( -3.494 -5.479 -0.832) 6.551 4.713 ( -0.345 -0.788 2.933) 3.057 5.006 ( -3.544 2.597 -4.280) 6.134 5.200 ( -2.139 5.626 -4.391) 7.451 5.240 ( -0.340 -5.703 0.502) 5.735 5.333 ( 0.237 -6.690 1.091) 6.783 5.443 ( 2.216 3.189 -2.811) 4.794 5.507 ( 4.109 3.648 -2.287) 5.952 5.639 ( 3.870 -0.944 -5.960) 7.169 5.986 ( 4.249 -0.170 -14.449) 15.061 6.029 ( 5.457 -1.938 -15.044) 16.120 6.766 ( -2.095 3.225 -6.953) 7.945 6.818 ( -0.471 1.648 -7.317) 7.516 7.740 ( 7.522 -3.203 5.332) 9.760 7.787 ( 7.129 -4.086 6.274) 10.338 8.034 ( -4.299 7.468 8.110) 11.833 8.091 ( -5.559 7.526 4.933) 10.577 8.285 ( -13.968 3.665 -3.125) 14.775 8.424 ( -6.092 0.675 -5.108) 7.979 9.675 ( 1.262 -3.268 5.651) 6.648 9.785 ( -5.775 -9.728 6.501) 13.048 11.327 ( 22.305 0.820 0.233) 22.322 11.362 ( 23.710 0.220 -0.744) 23.723 11.846 ( 9.970 2.256 2.141) 10.444 11.995 ( 11.210 -0.988 -1.965) 11.424 13.335 ( 27.950 0.974 0.907) 27.981 13.600 ( 45.152 -10.173 -9.300) 47.209 14.723 ( -2.936 19.827 -4.534) 20.550 15.313 ( -9.141 -1.787 -13.672) 16.543 15.593 ( -7.250 0.772 0.553) 7.312 15.658 ( -7.348 -0.760 -1.300) 7.501 15.929 ( 0.640 1.265 0.505) 1.505 15.952 ( 1.766 0.980 -0.225) 2.032 16.413 ( -1.142 0.170 0.019) 1.154 16.496 ( -1.700 -1.390 -3.592) 4.210 17.009 ( -3.751 1.378 5.065) 6.452 17.202 ( -4.467 -3.244 -0.615) 5.555 19.559 ( 0.127 3.243 8.602) 9.194 19.845 ( -1.797 2.301 -1.058) 3.105 20.046 ( -6.567 -5.093 5.887) 10.184 20.145 ( -6.854 -10.557 4.851) 13.489 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.22 0.20 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 3.773 4.771 11.464) 12.978 1.330 ( 3.973 22.637 10.374) 25.216 1.701 ( -2.399 -13.247 -2.306) 13.659 1.930 ( 3.293 7.580 1.814) 8.461 2.048 ( 7.871 11.321 -9.497) 16.743 2.441 ( 0.702 7.873 -4.429) 9.060 2.449 ( 9.323 -7.711 6.102) 13.550 2.557 ( 13.103 -1.049 3.781) 13.678 2.685 ( 9.862 -0.455 10.567) 14.461 2.748 ( 5.842 3.690 -2.399) 7.314 2.834 ( -1.291 3.504 -0.126) 3.737 2.921 ( -2.330 -0.282 5.700) 6.164 3.088 ( 8.894 -3.882 -1.205) 9.778 3.180 ( 5.510 2.478 0.856) 6.102 3.254 ( 5.293 -2.006 -0.518) 5.684 3.314 ( 8.221 0.635 -0.803) 8.284 3.470 ( -0.887 1.020 -1.241) 1.835 3.509 ( -1.600 -0.980 -5.776) 6.073 3.652 ( -4.063 -0.993 2.617) 4.934 3.712 ( -2.884 -0.077 7.790) 8.307 3.743 ( 1.391 -1.178 0.452) 1.878 3.793 ( -4.686 -0.319 1.979) 5.097 3.814 ( 8.524 0.620 4.521) 9.669 4.035 ( -1.826 -3.736 -5.044) 6.537 4.146 ( 0.565 -0.409 -7.299) 7.332 4.232 ( 4.924 -0.304 3.637) 6.128 4.332 ( 2.919 -7.852 1.365) 8.488 4.347 ( 4.650 1.259 -2.668) 5.507 4.472 ( 4.820 -1.605 2.741) 5.773 4.545 ( 0.331 -2.813 4.865) 5.630 4.611 ( 3.763 -1.571 0.834) 4.162 4.714 ( 6.302 -5.234 -2.095) 8.456 4.739 ( 3.975 0.552 -2.594) 4.778 4.935 ( -2.785 0.594 -0.410) 2.877 5.164 ( -1.770 4.257 -1.977) 5.016 5.216 ( -2.138 1.962 0.817) 3.014 5.290 ( -2.977 -2.270 -1.829) 4.167 5.414 ( -2.499 1.946 -0.484) 3.204 5.733 ( 14.202 0.071 1.273) 14.259 5.759 ( 8.294 -0.976 -7.485) 11.215 6.051 ( 1.893 -0.249 -9.996) 10.177 6.113 ( 2.864 -1.248 -8.554) 9.107 6.738 ( -0.146 3.506 -4.137) 5.425 6.815 ( 0.652 1.752 -5.303) 5.623 7.716 ( -11.342 -2.448 4.323) 12.382 7.750 ( -12.917 -1.082 6.223) 14.378 7.817 ( -20.109 1.987 -0.025) 20.207 7.865 ( -17.016 2.672 0.081) 17.224 8.269 ( 16.508 4.104 1.870) 17.113 8.464 ( 10.686 0.647 -5.236) 11.917 9.669 ( -3.251 -3.350 5.653) 7.331 9.676 ( -5.370 -3.935 6.535) 9.329 11.910 ( 36.357 1.345 0.321) 36.384 11.960 ( 36.263 0.397 -1.079) 36.281 12.120 ( 18.329 2.379 2.504) 18.652 12.304 ( 20.321 -1.773 -2.619) 20.566 14.026 ( 40.517 1.029 2.705) 40.620 14.212 ( 5.078 -4.861 7.146) 10.024 14.886 ( 28.753 6.473 -27.288) 40.165 15.068 ( -15.288 0.035 -13.223) 20.213 15.382 ( -14.725 0.928 0.594) 14.766 15.445 ( -14.879 -0.475 -0.988) 14.919 15.955 ( 2.053 0.946 0.783) 2.392 15.996 ( 2.679 0.492 -0.575) 2.784 16.381 ( -2.203 0.053 0.185) 2.211 16.449 ( -3.054 -1.038 -2.783) 4.260 16.903 ( -7.315 0.917 4.198) 8.484 17.082 ( -7.882 -3.403 -0.606) 8.607 19.569 ( 1.051 2.196 7.022) 7.432 19.796 ( -3.156 1.384 0.137) 3.448 19.886 ( -7.987 -4.577 9.069) 12.923 20.024 ( -6.149 -4.053 2.412) 7.749 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.33 0.20 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 12.248 3.741 0.146) 12.808 1.493 ( 11.474 15.232 7.563) 20.515 1.715 ( 4.513 -7.629 -6.847) 11.200 1.991 ( 2.998 7.013 1.254) 7.729 2.162 ( 4.127 8.900 -8.834) 13.202 2.413 ( -3.863 5.739 -7.547) 10.238 2.454 ( -13.887 -0.484 0.389) 13.901 2.508 ( -12.246 -5.254 0.005) 13.326 2.699 ( 0.713 0.651 6.190) 6.265 2.751 ( -2.678 -0.319 -0.009) 2.697 2.790 ( 1.999 0.732 5.231) 5.647 2.971 ( 7.059 4.587 5.162) 9.875 3.072 ( -4.726 -1.745 -1.373) 5.222 3.156 ( -2.131 -1.108 0.222) 2.412 3.317 ( -12.160 -0.296 0.666) 12.182 3.360 ( -2.423 -3.618 -2.664) 5.105 3.404 ( -11.615 3.494 1.161) 12.185 3.504 ( -7.084 1.361 1.045) 7.289 3.552 ( 6.465 3.349 -10.955) 13.154 3.787 ( 2.791 -2.629 3.359) 5.098 3.880 ( 15.908 -1.228 6.624) 17.276 3.943 ( 4.797 -2.879 -0.097) 5.595 4.008 ( 12.053 -3.450 1.279) 12.603 4.080 ( 7.916 -0.918 -1.003) 8.031 4.213 ( 3.621 -2.788 0.271) 4.577 4.397 ( 9.113 1.135 1.910) 9.380 4.405 ( 0.647 -3.512 -1.625) 3.923 4.417 ( 7.230 -4.347 -2.644) 8.841 4.517 ( 3.915 -3.827 6.809) 8.737 4.667 ( 6.785 -0.130 1.195) 6.891 4.828 ( 19.387 -1.223 -4.474) 19.934 4.844 ( 5.177 -0.312 -5.530) 7.582 4.857 ( 10.941 -2.908 -0.161) 11.322 4.932 ( 4.777 -1.723 0.472) 5.100 5.113 ( -2.997 4.703 -0.124) 5.578 5.175 ( -2.292 4.201 -0.720) 4.839 5.250 ( -0.570 0.957 -3.806) 3.965 5.401 ( 3.159 1.099 1.309) 3.592 5.931 ( 9.259 0.035 -8.044) 12.265 5.996 ( 10.090 0.041 -0.682) 10.113 6.057 ( 0.992 -1.459 -5.202) 5.493 6.130 ( -1.005 -1.217 -2.772) 3.190 6.779 ( 4.536 3.904 0.023) 5.984 6.860 ( 4.130 2.482 -1.621) 5.083 7.259 ( -30.346 -0.074 -3.426) 30.539 7.304 ( -27.911 -0.500 -5.032) 28.366 7.547 ( -12.472 0.897 7.838) 14.758 7.592 ( -12.790 0.543 6.172) 14.211 8.647 ( 20.453 1.036 0.327) 20.482 8.734 ( 15.726 -0.468 -3.559) 16.131 9.527 ( -9.373 -2.029 5.961) 11.292 9.567 ( -8.401 -2.271 3.279) 9.300 12.493 ( 22.107 3.568 2.265) 22.507 12.634 ( 33.055 0.931 -1.231) 33.091 12.703 ( 37.215 -0.250 -0.123) 37.216 12.765 ( 28.436 -2.443 -1.758) 28.595 14.060 ( -12.231 5.695 8.375) 15.880 14.574 ( -4.286 -9.104 -2.405) 10.346 14.968 ( 15.235 7.152 -4.628) 17.455 15.021 ( -18.155 1.735 0.417) 18.242 15.100 ( -15.156 1.919 -1.885) 15.393 15.530 ( 30.149 -4.084 -20.974) 36.953 16.004 ( 2.774 0.622 0.747) 2.939 16.051 ( 2.891 0.163 -1.293) 3.171 16.329 ( -3.103 -0.056 0.559) 3.153 16.388 ( -3.053 -0.444 -2.164) 3.769 16.721 ( -11.596 0.360 2.375) 11.842 16.903 ( -10.673 -3.764 -2.554) 11.601 19.603 ( 2.561 1.100 5.021) 5.743 19.734 ( -2.756 -0.430 3.843) 4.749 19.771 ( -4.189 -0.694 4.946) 6.519 19.902 ( -6.345 -2.320 1.659) 6.957 ======================= Grid point 103 (40/60) ======================= q-point: ( 0.44 0.20 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 21.845 2.241 -5.492) 22.636 1.720 ( 10.373 5.008 3.122) 11.934 1.845 ( 4.875 2.250 -2.571) 5.953 1.990 ( -13.405 6.084 -4.270) 15.328 2.064 ( -7.397 0.056 -2.146) 7.702 2.227 ( -2.027 2.477 -4.542) 5.557 2.231 ( -9.071 -0.396 -6.571) 11.208 2.323 ( -6.257 4.306 -5.921) 9.631 2.760 ( 4.274 3.963 2.390) 6.300 2.797 ( 4.252 1.712 0.301) 4.594 2.868 ( 5.951 -0.443 5.602) 8.185 2.962 ( -2.805 0.309 -0.630) 2.892 3.033 ( -5.186 2.394 -0.222) 5.717 3.073 ( -10.483 -0.996 3.397) 11.064 3.179 ( 2.430 -4.467 1.411) 5.277 3.251 ( -1.063 1.910 2.822) 3.570 3.269 ( -3.184 -2.430 0.768) 4.078 3.368 ( -6.868 4.479 1.712) 8.377 3.669 ( 5.332 1.262 -10.262) 11.633 3.758 ( -3.789 0.935 -6.101) 7.243 3.992 ( 3.990 -6.075 -0.462) 7.283 4.055 ( -1.029 -4.549 -1.061) 4.783 4.158 ( 6.003 -1.563 4.570) 7.705 4.224 ( 0.354 0.213 3.852) 3.874 4.241 ( 5.287 -3.024 0.427) 6.106 4.350 ( -4.524 -1.128 0.201) 4.666 4.513 ( 4.490 -8.300 4.134) 10.303 4.565 ( 0.264 -8.363 7.027) 10.926 4.634 ( 8.880 0.419 -3.882) 9.700 4.737 ( -0.162 1.970 -3.780) 4.266 4.916 ( 4.178 -3.912 -3.011) 6.467 4.958 ( 2.176 -2.715 -1.214) 3.685 5.022 ( 1.068 5.762 -0.489) 5.881 5.054 ( -3.364 4.809 -2.554) 6.401 5.136 ( 2.939 3.742 0.001) 4.758 5.175 ( -0.668 1.976 -4.494) 4.954 5.494 ( 28.181 2.156 1.833) 28.323 5.644 ( 20.411 -0.989 1.256) 20.474 5.909 ( -12.074 0.545 0.900) 12.120 5.973 ( -9.271 -0.563 -1.638) 9.432 6.208 ( 13.610 0.168 -5.806) 14.798 6.291 ( 15.831 -1.880 -6.494) 17.214 6.663 ( -28.539 -0.033 -5.530) 29.069 6.733 ( -24.742 -2.126 -5.885) 25.521 6.926 ( 5.354 5.763 2.655) 8.302 6.961 ( 3.851 5.145 2.480) 6.889 7.334 ( -7.640 -1.316 5.769) 9.664 7.363 ( -9.566 -1.355 4.927) 10.846 9.016 ( 17.056 -0.163 1.145) 17.095 9.043 ( 16.193 -0.722 -0.663) 16.222 9.311 ( -12.861 -1.045 3.287) 13.315 9.351 ( -13.736 -1.720 1.495) 13.924 12.906 ( 19.481 3.975 2.518) 20.042 13.074 ( 10.039 1.812 -1.950) 10.386 13.239 ( 13.245 -2.278 0.477) 13.448 13.272 ( 14.995 -1.566 -0.230) 15.079 13.997 ( 14.177 4.795 4.760) 15.705 14.385 ( -2.387 -4.261 -5.808) 7.588 14.499 ( -29.514 1.600 1.469) 29.594 14.632 ( -22.618 -1.466 -2.159) 22.768 15.624 ( 29.213 5.793 0.620) 29.788 15.923 ( 4.792 0.640 -3.628) 6.044 16.053 ( 3.216 -1.074 -1.972) 3.922 16.093 ( 0.716 -0.485 -2.995) 3.117 16.274 ( -1.610 0.685 1.106) 2.070 16.324 ( -5.082 1.647 -0.938) 5.424 16.531 ( -2.149 -3.331 -3.791) 5.485 16.678 ( -12.145 -4.707 -6.489) 14.552 19.662 ( 3.027 0.330 3.525) 4.658 19.707 ( -1.702 0.582 2.324) 2.939 19.716 ( 0.449 -0.938 4.894) 5.003 19.787 ( -5.433 -1.295 2.112) 5.971 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.40 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 6.804 15.210) 16.663 1.216 ( 0.000 10.642 12.220) 16.205 1.384 ( 0.000 -4.880 11.110) 12.135 1.529 ( 0.000 -14.241 9.298) 17.008 1.914 ( 0.000 9.409 -0.752) 9.439 2.049 ( 0.000 -4.317 4.907) 6.536 2.249 ( 0.000 19.691 -9.986) 22.078 2.309 ( 0.000 22.745 17.274) 28.561 2.507 ( 0.000 -3.188 -1.143) 3.386 2.700 ( 0.000 -4.483 -3.963) 5.983 2.717 ( 0.000 -3.894 -7.074) 8.075 2.744 ( 0.000 -13.147 7.586) 15.179 2.845 ( 0.000 3.497 -10.779) 11.332 2.940 ( 0.000 -4.870 -7.919) 9.297 3.218 ( 0.000 5.754 8.802) 10.516 3.341 ( 0.000 -7.066 3.359) 7.823 3.563 ( 0.000 0.950 13.695) 13.728 3.584 ( 0.000 -0.889 13.201) 13.231 3.680 ( 0.000 1.267 5.656) 5.796 3.722 ( 0.000 -2.157 2.690) 3.448 3.810 ( 0.000 2.045 0.152) 2.051 3.838 ( 0.000 -0.351 -6.495) 6.505 3.953 ( 0.000 3.942 -4.902) 6.291 4.043 ( 0.000 -1.653 3.032) 3.453 4.090 ( 0.000 -3.780 4.167) 5.626 4.146 ( 0.000 -5.785 6.261) 8.525 4.332 ( 0.000 1.510 -5.306) 5.517 4.367 ( 0.000 -1.980 -6.216) 6.523 4.419 ( 0.000 4.883 0.650) 4.926 4.475 ( 0.000 -1.779 -0.837) 1.966 4.617 ( 0.000 1.347 7.364) 7.487 4.659 ( 0.000 -2.100 7.638) 7.922 4.742 ( 0.000 4.168 8.646) 9.598 4.937 ( 0.000 -16.313 7.401) 17.913 5.074 ( 0.000 4.242 -9.654) 10.545 5.172 ( 0.000 -5.630 -12.076) 13.324 5.404 ( 0.000 7.727 -4.393) 8.888 5.500 ( 0.000 -2.133 -3.203) 3.849 5.531 ( 0.000 4.611 -5.881) 7.474 5.590 ( 0.000 -1.767 -7.880) 8.076 5.933 ( 0.000 -0.033 -16.787) 16.787 5.936 ( 0.000 -0.393 -17.774) 17.778 6.841 ( 0.000 1.444 -8.284) 8.408 6.847 ( 0.000 0.754 -7.618) 7.656 7.622 ( 0.000 0.422 7.836) 7.847 7.642 ( 0.000 -1.646 7.417) 7.597 8.233 ( 0.000 5.880 9.022) 10.769 8.269 ( 0.000 2.331 6.512) 6.916 8.509 ( 0.000 0.809 -2.459) 2.589 8.511 ( 0.000 1.952 -2.199) 2.941 9.587 ( 0.000 -2.504 5.696) 6.222 9.622 ( 0.000 -7.603 6.974) 10.317 11.114 ( 0.000 0.152 0.049) 0.160 11.115 ( 0.000 -0.042 0.013) 0.044 11.802 ( 0.000 3.127 1.234) 3.362 11.858 ( 0.000 -2.435 -0.201) 2.443 13.054 ( 0.000 0.023 0.098) 0.100 13.054 ( 0.000 -0.009 0.085) 0.085 15.117 ( 0.000 15.026 -12.684) 19.664 15.322 ( 0.000 -6.786 -14.692) 16.184 15.682 ( 0.000 1.200 0.068) 1.201 15.706 ( 0.000 -1.315 -0.715) 1.497 15.955 ( 0.000 0.947 0.053) 0.948 15.955 ( 0.000 0.941 -0.102) 0.947 16.438 ( 0.000 1.361 -0.991) 1.684 16.475 ( 0.000 -2.244 -2.697) 3.508 17.094 ( 0.000 3.380 3.956) 5.203 17.171 ( 0.000 -4.347 1.688) 4.663 19.675 ( 0.000 8.721 10.780) 13.866 19.895 ( 0.000 -10.748 7.637) 13.185 19.943 ( 0.000 -0.081 3.383) 3.384 20.025 ( 0.000 -4.757 1.957) 5.144 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.11 0.40 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.589 12.655 13.462) 18.486 1.463 ( -0.489 -14.755 8.790) 17.182 1.597 ( 22.412 11.264 9.454) 26.806 1.721 ( 25.771 -2.980 6.619) 26.774 2.043 ( 8.030 6.394 2.684) 10.610 2.174 ( 7.883 -3.888 2.628) 9.174 2.337 ( 4.356 16.380 9.546) 19.452 2.362 ( 17.330 11.739 -5.489) 21.639 2.562 ( 8.429 1.445 1.216) 8.637 2.673 ( -1.659 -4.272 -3.046) 5.503 2.797 ( 6.828 -2.488 -0.042) 7.267 2.845 ( 7.295 -5.402 -2.857) 9.516 2.870 ( 4.668 0.007 -6.626) 8.105 2.937 ( 1.008 -6.690 -5.209) 8.538 3.231 ( 0.846 5.066 7.502) 9.092 3.339 ( -1.264 -6.124 3.552) 7.192 3.502 ( -6.400 1.322 4.564) 7.971 3.532 ( -3.983 -1.731 5.289) 6.843 3.671 ( -0.025 2.036 5.746) 6.096 3.718 ( -0.611 -2.605 3.942) 4.765 3.787 ( -1.353 2.410 2.526) 3.744 3.821 ( -1.315 -1.117 1.455) 2.257 3.911 ( -2.903 4.597 -1.432) 5.623 4.024 ( -2.809 -4.971 -0.203) 5.714 4.160 ( 4.692 -1.269 2.792) 5.605 4.187 ( -0.688 -3.095 0.135) 3.173 4.264 ( -7.203 1.864 -0.931) 7.498 4.306 ( -1.067 -2.431 0.061) 2.655 4.380 ( -1.067 3.946 -2.211) 4.648 4.477 ( 0.250 -6.149 -2.942) 6.821 4.578 ( -0.936 -0.221 2.627) 2.798 4.587 ( -3.431 -1.239 4.317) 5.652 4.764 ( 0.907 5.662 4.794) 7.474 4.920 ( -2.747 -9.609 0.529) 10.007 5.162 ( 6.482 1.010 -0.272) 6.566 5.217 ( 3.105 -3.833 -5.960) 7.737 5.375 ( -2.468 7.227 -3.251) 8.300 5.466 ( -2.667 -1.802 -3.294) 4.606 5.572 ( 4.627 2.965 -4.306) 6.981 5.615 ( 3.522 -1.608 -6.741) 7.774 5.987 ( 4.455 0.390 -14.795) 15.456 6.001 ( 5.189 -1.046 -15.049) 15.953 6.821 ( -1.491 2.154 -7.100) 7.568 6.840 ( -0.732 0.214 -7.301) 7.341 7.709 ( 6.165 -0.044 6.281) 8.802 7.731 ( 6.695 -2.057 6.143) 9.316 8.156 ( -7.996 3.877 5.462) 10.431 8.173 ( -10.492 1.647 3.136) 11.073 8.370 ( -9.840 4.681 0.065) 10.896 8.434 ( -6.023 -0.926 -0.802) 6.147 9.609 ( 1.512 -2.531 5.565) 6.297 9.626 ( 0.118 -5.001 6.708) 8.367 11.345 ( 23.194 0.961 -0.098) 23.214 11.360 ( 23.746 -0.489 -0.517) 23.757 11.902 ( 10.223 3.253 1.095) 10.784 11.960 ( 10.607 -2.594 -0.463) 10.929 13.368 ( 30.290 2.664 0.234) 30.408 13.446 ( 35.398 -5.782 -1.976) 35.922 15.060 ( -5.337 13.759 -14.129) 20.431 15.244 ( -7.809 -5.972 -14.902) 17.853 15.613 ( -7.152 1.249 0.080) 7.260 15.638 ( -7.144 -1.274 -0.685) 7.289 15.957 ( 0.526 1.298 0.412) 1.460 15.968 ( 1.076 0.270 0.004) 1.109 16.426 ( -1.231 1.295 -0.865) 1.985 16.461 ( -1.433 -2.107 -2.471) 3.549 17.052 ( -4.234 3.123 3.902) 6.550 17.126 ( -4.524 -4.299 1.850) 6.509 19.659 ( -1.387 7.397 10.176) 12.657 19.842 ( -4.830 -10.343 9.494) 14.847 19.920 ( -2.137 2.716 1.527) 3.778 20.006 ( -2.223 -5.095 1.731) 5.822 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.22 0.40 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 1.124 10.307 6.257) 12.110 1.424 ( -1.133 -13.506 0.954) 13.587 1.819 ( 4.705 24.369 5.895) 25.510 2.089 ( 6.821 8.192 3.459) 11.208 2.178 ( 4.447 -4.445 -2.230) 6.672 2.240 ( 7.206 -11.913 6.147) 15.219 2.531 ( 5.980 4.618 3.752) 8.436 2.603 ( -2.797 0.343 -0.974) 2.982 2.746 ( 10.882 8.519 3.536) 14.265 2.828 ( 7.067 3.402 -7.187) 10.637 2.844 ( -2.654 -0.340 2.569) 3.709 2.934 ( 3.513 -1.038 -1.080) 3.819 3.008 ( 7.081 -1.254 1.430) 7.332 3.145 ( 9.611 -10.451 -7.413) 16.017 3.236 ( 5.904 2.744 4.537) 7.935 3.283 ( 6.026 -2.454 5.454) 8.490 3.479 ( 2.614 1.446 -4.173) 5.133 3.508 ( 1.970 0.009 -3.312) 3.854 3.670 ( -5.686 2.050 3.569) 7.019 3.712 ( 2.688 -1.618 3.441) 4.657 3.734 ( -3.089 1.958 8.076) 8.865 3.779 ( 1.483 -1.744 7.089) 7.450 3.848 ( -0.957 4.134 1.190) 4.407 3.954 ( -3.652 -5.429 -3.008) 7.201 4.115 ( -0.010 -0.662 -5.296) 5.337 4.164 ( 1.577 -5.785 -4.324) 7.393 4.293 ( 5.545 3.988 0.261) 6.835 4.363 ( 2.507 -1.418 -1.551) 3.271 4.442 ( 7.805 -0.635 2.724) 8.291 4.470 ( 1.695 -3.381 3.305) 5.023 4.586 ( 3.507 -0.231 -0.482) 3.547 4.619 ( 4.052 -3.742 -1.793) 5.800 4.793 ( 2.886 3.942 0.236) 4.892 4.878 ( -1.001 -4.677 0.899) 4.867 5.218 ( -0.113 1.885 0.002) 1.888 5.251 ( -0.074 -1.515 -0.808) 1.718 5.323 ( -2.450 6.317 -3.082) 7.443 5.412 ( -2.581 -2.435 -1.935) 4.042 5.735 ( 11.477 0.144 -2.358) 11.717 5.742 ( 9.151 -0.619 -5.866) 10.887 6.059 ( 2.340 1.091 -9.734) 10.071 6.086 ( 2.904 -1.518 -9.182) 9.749 6.805 ( 0.437 2.894 -4.593) 5.446 6.836 ( 0.825 -0.126 -5.143) 5.210 7.699 ( -10.815 0.531 5.768) 12.268 7.723 ( -11.724 -1.638 6.044) 13.292 7.858 ( -18.823 2.032 -0.364) 18.936 7.885 ( -18.056 -0.447 -0.560) 18.070 8.369 ( 11.379 5.622 1.783) 12.817 8.453 ( 9.215 -2.464 -1.130) 9.605 9.602 ( -2.815 -1.816 6.116) 6.974 9.614 ( -2.097 -2.568 4.733) 5.779 11.939 ( 36.649 1.483 -0.091) 36.679 11.960 ( 36.702 -0.558 -0.652) 36.712 12.182 ( 18.379 3.781 0.938) 18.787 12.253 ( 19.306 -3.386 -1.003) 19.626 14.059 ( 35.748 2.445 3.095) 35.965 14.122 ( 25.198 -4.112 4.104) 25.859 15.001 ( 4.840 4.700 -21.335) 22.377 15.058 ( -8.896 -1.448 -16.406) 18.719 15.405 ( -14.417 1.366 -0.039) 14.482 15.430 ( -14.499 -1.089 -0.683) 14.556 15.979 ( 1.802 1.353 0.817) 2.397 15.998 ( 2.093 -0.454 0.167) 2.149 16.391 ( -2.307 1.165 -0.524) 2.637 16.422 ( -2.545 -1.730 -1.873) 3.603 16.936 ( -7.789 2.643 3.181) 8.819 17.004 ( -8.003 -4.204 1.466) 9.158 19.635 ( -0.807 4.740 8.432) 9.706 19.747 ( -4.305 -6.406 9.306) 12.090 19.866 ( -3.447 3.124 0.778) 4.716 19.940 ( -4.335 -4.332 1.238) 6.252 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.33 0.40 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 10.339 8.000 -2.872) 13.384 1.470 ( 6.863 -10.165 -5.640) 13.500 1.924 ( 6.581 20.099 4.715) 21.668 2.132 ( 1.803 5.275 1.409) 5.750 2.252 ( 2.115 -2.258 -0.480) 3.131 2.326 ( -2.730 -9.851 2.699) 10.572 2.470 ( -14.756 3.087 -3.743) 15.534 2.521 ( -8.172 0.208 -5.540) 9.874 2.721 ( -1.931 1.643 2.568) 3.609 2.739 ( -0.455 0.176 4.218) 4.246 2.849 ( 1.268 5.631 0.018) 5.772 2.978 ( -0.170 -6.045 -2.778) 6.656 3.095 ( 6.118 5.919 2.111) 8.770 3.162 ( -4.245 0.405 -1.351) 4.474 3.287 ( -5.645 -1.362 -0.899) 5.876 3.320 ( -11.016 -1.223 0.978) 11.126 3.437 ( -10.076 0.342 2.309) 10.343 3.503 ( 2.619 -6.886 -0.085) 7.368 3.620 ( -1.516 9.284 -1.931) 9.603 3.757 ( 4.488 -0.424 -1.914) 4.898 3.862 ( 1.127 -2.874 -5.281) 6.117 3.896 ( 10.727 -3.985 -0.272) 11.446 3.942 ( 9.302 2.685 8.852) 13.119 4.042 ( 12.319 -5.901 9.433) 16.600 4.157 ( 2.530 1.155 -5.596) 6.249 4.242 ( 4.370 -7.147 -4.065) 9.311 4.420 ( 3.006 1.241 2.034) 3.836 4.448 ( 6.650 -1.098 -0.160) 6.742 4.495 ( 4.325 4.487 5.382) 8.235 4.607 ( 7.012 -5.743 2.000) 9.281 4.800 ( 15.622 -0.695 -4.167) 16.183 4.803 ( 18.536 -0.898 -3.401) 18.867 4.871 ( 6.476 1.083 -3.032) 7.232 4.896 ( 4.235 -1.660 -0.733) 4.607 5.192 ( -1.810 2.794 0.266) 3.340 5.216 ( -2.915 0.228 -1.235) 3.175 5.316 ( 2.568 4.894 -2.403) 6.027 5.391 ( 1.881 -2.372 -0.875) 3.151 5.940 ( 10.686 1.102 -6.550) 12.582 5.973 ( 12.735 -2.092 -3.488) 13.368 6.061 ( -2.404 1.689 -3.785) 4.791 6.099 ( -1.512 -1.950 -3.045) 3.919 6.856 ( 4.970 3.456 -0.563) 6.079 6.891 ( 5.154 0.102 -1.415) 5.346 7.266 ( -29.226 0.936 -3.075) 29.402 7.289 ( -28.095 -1.119 -3.924) 28.389 7.570 ( -13.827 1.400 7.478) 15.782 7.593 ( -14.034 -0.656 6.619) 15.531 8.677 ( 18.046 1.990 -0.152) 18.156 8.714 ( 15.969 -1.629 -1.675) 16.139 9.499 ( -7.973 -0.370 4.688) 9.257 9.519 ( -7.835 -2.237 3.551) 8.888 12.580 ( 22.549 5.072 0.842) 23.128 12.649 ( 28.268 -0.368 -1.147) 28.294 12.692 ( 36.066 -0.874 -0.105) 36.077 12.705 ( 33.341 -2.796 -0.292) 33.459 14.207 ( -9.010 9.109 5.707) 14.026 14.391 ( -5.184 -9.801 2.241) 11.311 15.029 ( -19.913 1.364 -0.780) 19.974 15.046 ( -18.201 -0.278 -1.136) 18.239 15.229 ( 21.214 9.899 -11.185) 25.945 15.410 ( 28.156 -8.237 -17.657) 34.240 16.022 ( 2.405 1.213 0.866) 2.829 16.045 ( 2.494 -0.915 0.121) 2.660 16.341 ( -2.765 1.307 -0.144) 3.061 16.370 ( -2.492 -1.405 -1.406) 3.187 16.746 ( -12.187 2.485 1.407) 12.517 16.817 ( -11.536 -4.593 -0.531) 12.428 19.636 ( 1.030 2.345 6.053) 6.573 19.691 ( -1.411 -3.094 7.106) 7.878 19.794 ( -3.812 2.401 1.076) 4.632 19.848 ( -5.017 -3.050 1.234) 5.999 ======================= Grid point 112 (45/60) ======================= q-point: ( 0.44 0.40 0.29) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 19.738 4.943 -6.481) 21.355 1.691 ( 15.231 -5.052 -7.066) 17.534 1.976 ( -10.026 5.821 0.079) 11.594 2.037 ( -20.704 -0.389 -4.615) 21.216 2.159 ( 1.736 7.218 -1.178) 7.516 2.211 ( -2.423 2.124 -0.191) 3.228 2.297 ( -0.658 1.344 -2.646) 3.040 2.348 ( -6.398 -2.993 -4.374) 8.308 2.818 ( 7.973 1.836 3.130) 8.760 2.838 ( 8.239 0.489 2.188) 8.539 2.892 ( 3.141 4.465 1.007) 5.551 2.969 ( -3.059 -0.809 -0.720) 3.245 3.063 ( -9.675 0.654 1.424) 9.801 3.074 ( -5.118 0.139 0.371) 5.134 3.088 ( -4.362 -2.130 1.824) 5.186 3.160 ( -6.872 -5.640 -0.575) 8.909 3.385 ( 5.039 9.728 3.177) 11.407 3.512 ( -6.417 9.952 0.642) 11.859 3.595 ( 5.120 -9.408 -1.895) 10.877 3.707 ( -5.844 -7.755 -2.667) 10.070 3.952 ( 5.738 3.408 -4.169) 7.869 4.017 ( 0.371 0.913 -4.842) 4.941 4.079 ( 4.012 -5.348 -2.108) 7.010 4.122 ( -0.773 -6.488 -3.155) 7.256 4.261 ( 6.868 2.108 5.526) 9.064 4.313 ( 3.096 -2.936 3.085) 5.266 4.400 ( -2.999 -1.701 6.260) 7.146 4.428 ( -4.006 -4.500 8.320) 10.272 4.691 ( 9.793 4.097 -3.482) 11.172 4.764 ( 7.043 -1.736 -2.281) 7.603 4.845 ( -2.447 -0.150 -4.800) 5.390 4.894 ( -2.315 -3.440 -3.284) 5.289 5.120 ( 6.005 3.727 -2.328) 7.441 5.143 ( 2.459 2.723 -0.670) 3.730 5.182 ( 0.693 0.453 -1.261) 1.508 5.187 ( 1.647 -0.008 -3.131) 3.538 5.550 ( 23.886 3.328 1.651) 24.173 5.609 ( 21.162 -2.592 1.388) 21.365 5.928 ( -12.124 1.351 0.553) 12.212 5.955 ( -11.116 -1.269 -0.366) 11.194 6.220 ( 16.217 1.177 -5.855) 17.282 6.252 ( 17.205 -2.002 -5.922) 18.305 6.671 ( -28.985 0.916 -5.773) 29.568 6.696 ( -27.387 -1.679 -5.813) 28.047 7.034 ( 9.185 4.455 2.625) 10.540 7.053 ( 8.928 2.934 2.164) 9.644 7.307 ( -12.551 -0.858 6.148) 14.002 7.325 ( -12.958 -2.264 5.548) 14.277 9.016 ( 16.458 0.250 0.684) 16.474 9.027 ( 16.087 -0.829 -0.046) 16.109 9.298 ( -12.686 0.011 2.639) 12.958 9.316 ( -13.112 -1.667 1.898) 13.353 13.002 ( 19.636 5.560 0.998) 20.433 13.087 ( 18.100 -2.000 -1.493) 18.271 13.202 ( 9.259 -0.105 0.859) 9.300 13.233 ( 12.128 -2.302 -0.145) 12.346 14.121 ( 8.861 7.648 2.214) 11.912 14.270 ( 2.765 -7.368 -1.713) 8.054 14.542 ( -27.549 2.668 0.569) 27.683 14.594 ( -24.773 -2.480 -0.815) 24.910 15.765 ( 24.843 8.080 -3.831) 26.403 15.896 ( 17.942 -4.494 -6.622) 19.646 16.044 ( -1.950 0.748 0.067) 2.089 16.072 ( -0.921 -1.637 -0.599) 1.971 16.307 ( 0.684 2.748 -0.400) 2.860 16.351 ( 1.358 -0.313 -2.525) 2.884 16.484 ( -12.365 0.550 -1.175) 12.433 16.566 ( -13.713 -6.228 -3.927) 15.564 19.673 ( 2.522 0.814 3.893) 4.709 19.693 ( 1.722 -1.214 4.357) 4.839 19.726 ( -3.132 1.325 2.271) 4.089 19.756 ( -4.353 -1.731 2.124) 5.143 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 0.000 12.583) 12.583 1.283 ( 0.000 0.000 -17.303) 17.303 1.419 ( 0.000 0.000 15.967) 15.967 1.663 ( 0.000 0.000 -7.730) 7.730 1.841 ( 0.000 0.000 11.902) 11.902 2.081 ( 0.000 0.000 -7.953) 7.953 2.120 ( 0.000 0.000 14.761) 14.761 2.210 ( 0.000 0.000 3.804) 3.804 2.434 ( 0.000 0.000 1.825) 1.825 2.457 ( 0.000 0.000 1.237) 1.237 2.819 ( 0.000 0.000 0.764) 0.764 2.843 ( 0.000 0.000 -0.516) 0.516 2.861 ( 0.000 0.000 0.112) 0.112 2.943 ( 0.000 0.000 -5.007) 5.007 3.248 ( 0.000 0.000 6.182) 6.182 3.393 ( 0.000 0.000 -8.750) 8.750 3.513 ( 0.000 0.000 -1.415) 1.415 3.623 ( 0.000 0.000 -9.459) 9.459 3.719 ( 0.000 0.000 1.584) 1.584 3.755 ( 0.000 0.000 -2.654) 2.654 3.941 ( 0.000 0.000 11.268) 11.268 3.963 ( 0.000 0.000 14.309) 14.309 4.056 ( 0.000 0.000 8.480) 8.480 4.171 ( 0.000 0.000 -10.904) 10.904 4.202 ( 0.000 0.000 -6.385) 6.385 4.213 ( 0.000 0.000 0.187) 0.187 4.272 ( 0.000 0.000 3.403) 3.403 4.314 ( 0.000 0.000 -0.375) 0.375 4.524 ( 0.000 0.000 0.855) 0.855 4.530 ( 0.000 0.000 8.261) 8.261 4.628 ( 0.000 0.000 -5.572) 5.572 4.689 ( 0.000 0.000 -7.149) 7.149 4.937 ( 0.000 0.000 11.901) 11.901 4.985 ( 0.000 0.000 3.554) 3.554 5.203 ( 0.000 0.000 3.302) 3.302 5.240 ( 0.000 0.000 0.518) 0.518 5.286 ( 0.000 0.000 4.498) 4.498 5.298 ( 0.000 0.000 -5.833) 5.833 5.517 ( 0.000 0.000 -7.150) 7.150 5.562 ( 0.000 0.000 -8.706) 8.706 5.570 ( 0.000 0.000 -7.924) 7.924 5.657 ( 0.000 0.000 -9.670) 9.670 6.663 ( 0.000 0.000 -1.210) 1.210 6.690 ( 0.000 0.000 -3.584) 3.584 7.814 ( 0.000 0.000 6.909) 6.909 7.870 ( 0.000 0.000 2.149) 2.149 8.102 ( 0.000 0.000 3.598) 3.598 8.116 ( 0.000 0.000 2.303) 2.303 8.362 ( 0.000 0.000 -0.680) 0.680 8.410 ( 0.000 0.000 -4.659) 4.659 9.830 ( 0.000 0.000 6.740) 6.740 9.954 ( 0.000 0.000 -5.326) 5.326 11.109 ( 0.000 0.000 0.112) 0.112 11.112 ( 0.000 0.000 -0.149) 0.149 11.779 ( 0.000 0.000 2.788) 2.788 11.836 ( 0.000 0.000 -2.750) 2.750 13.055 ( 0.000 0.000 0.047) 0.047 13.055 ( 0.000 0.000 0.012) 0.012 14.811 ( 0.000 0.000 14.956) 14.956 15.124 ( 0.000 0.000 -15.572) 15.572 15.674 ( 0.000 0.000 1.175) 1.175 15.703 ( 0.000 0.000 -1.651) 1.651 15.916 ( 0.000 0.000 0.104) 0.104 15.917 ( 0.000 0.000 0.007) 0.007 16.432 ( 0.000 0.000 0.854) 0.854 16.462 ( 0.000 0.000 -2.254) 2.254 17.136 ( 0.000 0.000 4.717) 4.717 17.220 ( 0.000 0.000 -3.552) 3.552 19.681 ( 0.000 0.000 6.614) 6.614 19.786 ( 0.000 0.000 -3.755) 3.755 20.235 ( 0.000 0.000 5.245) 5.245 20.339 ( 0.000 0.000 -4.844) 4.844 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.11 0.00 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 8.678 0.000 13.807) 16.308 1.386 ( 9.027 0.000 -16.847) 19.113 1.605 ( 2.231 0.000 20.267) 20.390 1.920 ( 5.217 0.000 10.043) 11.317 1.941 ( 5.564 0.000 -11.748) 12.998 2.141 ( 2.864 0.000 -10.038) 10.438 2.157 ( 13.973 0.000 6.211) 15.291 2.203 ( 18.878 0.000 3.835) 19.264 2.482 ( 9.965 0.000 8.831) 13.315 2.602 ( 11.194 0.000 -3.680) 11.784 2.872 ( 5.024 0.000 5.362) 7.348 2.884 ( 3.513 0.000 3.060) 4.659 2.943 ( 8.481 0.000 -0.638) 8.505 3.029 ( 7.463 0.000 -6.529) 9.916 3.217 ( -3.123 0.000 6.006) 6.769 3.376 ( -1.609 0.000 -10.212) 10.338 3.478 ( -2.878 0.000 -0.571) 2.934 3.538 ( -8.297 0.000 -2.581) 8.689 3.720 ( -0.208 0.000 2.662) 2.670 3.756 ( 0.997 0.000 -1.057) 1.453 3.884 ( -5.300 0.000 7.410) 9.110 3.916 ( -5.674 0.000 7.191) 9.160 3.970 ( -9.760 0.000 0.664) 9.783 4.051 ( -8.911 0.000 -8.076) 12.026 4.162 ( -2.133 0.000 0.409) 2.171 4.202 ( 0.617 0.000 -0.270) 0.674 4.310 ( 1.982 0.000 4.103) 4.557 4.381 ( 5.717 0.000 -1.929) 6.033 4.540 ( 0.969 0.000 2.507) 2.688 4.560 ( 2.567 0.000 7.198) 7.642 4.621 ( -0.369 0.000 -3.863) 3.881 4.703 ( 1.501 0.000 -6.633) 6.801 4.786 ( -6.807 0.000 6.344) 9.305 4.864 ( -8.848 0.000 -1.449) 8.966 5.185 ( -1.827 0.000 2.989) 3.503 5.275 ( -2.313 0.000 -5.712) 6.162 5.305 ( 2.298 0.000 6.388) 6.788 5.471 ( 6.762 0.000 3.483) 7.607 5.507 ( 1.662 0.000 -7.054) 7.247 5.565 ( 7.133 0.000 5.201) 8.828 5.693 ( 8.293 0.000 -12.916) 15.349 5.754 ( 9.238 0.000 -12.817) 15.799 6.656 ( -0.375 0.000 -0.618) 0.723 6.689 ( 0.129 0.000 -3.605) 3.607 7.909 ( 7.329 0.000 6.411) 9.737 7.983 ( 10.516 0.000 1.333) 10.600 8.047 ( -5.615 0.000 3.194) 6.460 8.052 ( -6.342 0.000 2.749) 6.913 8.193 ( -16.388 0.000 0.098) 16.389 8.284 ( -10.189 0.000 -6.827) 12.265 9.830 ( -0.474 0.000 5.449) 5.470 9.913 ( -3.816 0.000 -2.268) 4.440 11.329 ( 22.270 0.000 0.635) 22.279 11.343 ( 22.910 0.000 -0.758) 22.922 11.881 ( 10.368 0.000 3.079) 10.815 11.944 ( 11.035 0.000 -3.107) 11.464 13.365 ( 30.404 0.000 3.082) 30.559 13.469 ( 38.551 0.000 -7.990) 39.371 14.734 ( -7.876 0.000 14.528) 16.525 15.038 ( -8.780 0.000 -15.131) 17.494 15.605 ( -7.195 0.000 1.213) 7.296 15.634 ( -7.210 0.000 -1.588) 7.383 15.926 ( 1.196 0.000 0.494) 1.294 15.935 ( 1.602 0.000 -0.382) 1.647 16.421 ( -1.106 0.000 0.813) 1.373 16.450 ( -1.313 0.000 -2.090) 2.468 17.099 ( -3.880 0.000 4.609) 6.025 17.181 ( -4.055 0.000 -3.459) 5.329 19.676 ( -0.471 0.000 6.211) 6.229 19.774 ( -1.153 0.000 -3.502) 3.687 20.184 ( -5.112 0.000 4.545) 6.841 20.262 ( -7.293 0.000 -2.784) 7.806 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.22 0.00 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 12.627 0.000 14.148) 18.963 1.435 ( -11.785 0.000 18.596) 22.016 1.584 ( 11.139 0.000 -15.491) 19.080 1.746 ( -12.082 0.000 -10.867) 16.250 1.979 ( 1.361 0.000 7.645) 7.765 2.158 ( 0.174 0.000 -9.237) 9.238 2.559 ( 7.307 0.000 -0.173) 7.310 2.613 ( 8.074 0.000 -3.211) 8.689 2.732 ( 11.417 0.000 5.596) 12.714 2.777 ( 5.172 0.000 2.559) 5.770 2.990 ( 4.612 0.000 3.488) 5.782 3.038 ( 7.402 0.000 9.404) 11.967 3.129 ( 7.165 0.000 -0.831) 7.213 3.130 ( -4.494 0.000 -2.001) 4.919 3.192 ( 7.064 0.000 -0.234) 7.068 3.338 ( -2.086 0.000 -10.469) 10.674 3.381 ( -2.497 0.000 5.561) 6.096 3.468 ( 1.919 0.000 -1.807) 2.635 3.714 ( -5.255 0.000 2.122) 5.667 3.743 ( -2.549 0.000 -0.589) 2.616 3.797 ( 3.158 0.000 2.197) 3.847 3.835 ( 3.379 0.000 2.079) 3.967 3.849 ( 4.831 0.000 0.208) 4.835 3.922 ( 0.582 0.000 -6.691) 6.716 4.157 ( 1.090 0.000 5.222) 5.335 4.264 ( 5.779 0.000 -3.983) 7.019 4.362 ( 3.542 0.000 6.822) 7.686 4.486 ( 4.763 0.000 -4.313) 6.426 4.524 ( -2.394 0.000 3.172) 3.974 4.601 ( -2.721 0.000 -4.033) 4.865 4.618 ( 3.611 0.000 6.643) 7.561 4.747 ( 3.170 0.000 -5.863) 6.665 4.762 ( 2.219 0.000 -0.271) 2.235 4.773 ( 2.946 0.000 -0.016) 2.947 5.137 ( -3.056 0.000 2.274) 3.809 5.215 ( -3.741 0.000 -5.351) 6.529 5.291 ( -2.873 0.000 6.779) 7.362 5.436 ( -2.841 0.000 -2.026) 3.490 5.636 ( 8.395 0.000 0.760) 8.430 5.817 ( 11.987 0.000 3.249) 12.420 5.824 ( 7.156 0.000 -10.165) 12.431 5.954 ( 9.319 0.000 -8.014) 12.292 6.670 ( 2.401 0.000 0.666) 2.492 6.710 ( 2.581 0.000 -3.076) 4.015 7.756 ( -22.900 0.000 0.411) 22.904 7.773 ( -26.110 0.000 -0.988) 26.129 7.884 ( -10.718 0.000 3.398) 11.244 7.894 ( -10.159 0.000 2.426) 10.445 8.265 ( 18.223 0.000 2.479) 18.391 8.337 ( 14.868 0.000 -4.713) 15.597 9.787 ( -4.531 0.000 3.240) 5.571 9.813 ( -6.815 0.000 1.141) 6.910 11.910 ( 35.911 0.000 0.868) 35.922 11.930 ( 35.821 0.000 -1.160) 35.840 12.168 ( 19.402 0.000 3.827) 19.776 12.247 ( 20.115 0.000 -3.900) 20.489 14.109 ( 43.856 0.000 7.154) 44.436 14.336 ( 47.223 0.000 -16.130) 49.902 14.518 ( -14.092 0.000 13.395) 19.442 14.798 ( -15.607 0.000 -13.936) 20.924 15.394 ( -14.826 0.000 1.261) 14.880 15.422 ( -14.866 0.000 -1.458) 14.937 15.961 ( 2.371 0.000 0.770) 2.493 15.976 ( 2.532 0.000 -0.675) 2.621 16.391 ( -2.068 0.000 0.710) 2.187 16.413 ( -2.424 0.000 -1.609) 2.910 16.985 ( -8.090 0.000 4.209) 9.119 17.063 ( -8.256 0.000 -3.441) 8.944 19.669 ( -0.111 0.000 5.070) 5.072 19.747 ( -1.440 0.000 -2.686) 3.048 20.053 ( -7.914 0.000 3.916) 8.830 20.100 ( -8.603 0.000 -0.507) 8.618 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.33 0.00 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 1.193 0.000 13.180) 13.234 1.546 ( 14.602 0.000 12.361) 19.132 1.599 ( -2.086 0.000 -13.687) 13.845 1.804 ( 11.408 0.000 -12.799) 17.145 1.998 ( 0.780 0.000 6.851) 6.896 2.164 ( 0.027 0.000 -8.880) 8.880 2.419 ( -18.015 0.000 -0.642) 18.026 2.471 ( -17.353 0.000 -4.889) 18.029 2.817 ( 0.091 0.000 5.837) 5.838 2.847 ( 0.410 0.000 4.798) 4.815 2.983 ( -3.775 0.000 0.703) 3.840 3.011 ( -1.832 0.000 10.906) 11.059 3.037 ( -5.168 0.000 -4.348) 6.754 3.172 ( 0.601 0.000 -3.604) 3.654 3.275 ( 0.503 0.000 -1.225) 1.324 3.329 ( 3.169 0.000 -4.531) 5.529 3.343 ( -5.495 0.000 0.152) 5.497 3.380 ( -6.568 0.000 -1.401) 6.716 3.535 ( -9.400 0.000 3.197) 9.929 3.659 ( -6.325 0.000 -9.518) 11.428 3.979 ( 9.849 0.000 3.946) 10.611 4.067 ( 8.669 0.000 -4.204) 9.635 4.117 ( 12.476 0.000 5.010) 13.445 4.184 ( 2.510 0.000 1.207) 2.785 4.262 ( 23.601 0.000 11.619) 26.306 4.411 ( 3.355 0.000 -2.244) 4.037 4.437 ( 3.864 0.000 5.344) 6.595 4.493 ( 2.915 0.000 1.480) 3.270 4.561 ( 2.805 0.000 -5.758) 6.405 4.644 ( 16.032 0.000 -11.065) 19.479 4.706 ( 5.883 0.000 6.168) 8.524 4.826 ( 4.960 0.000 -5.407) 7.337 4.885 ( 9.735 0.000 2.032) 9.945 4.918 ( 11.088 0.000 -1.103) 11.143 5.068 ( -4.089 0.000 1.747) 4.446 5.135 ( -4.583 0.000 -4.706) 6.568 5.241 ( 0.499 0.000 8.915) 8.929 5.408 ( 1.670 0.000 -3.975) 4.312 5.800 ( 7.895 0.000 -0.322) 7.902 5.917 ( 3.383 0.000 -8.200) 8.870 6.029 ( 8.801 0.000 1.821) 8.987 6.084 ( 4.196 0.000 -3.065) 5.196 6.763 ( 7.271 0.000 1.938) 7.524 6.800 ( 6.751 0.000 -1.587) 6.935 7.209 ( -31.964 0.000 -1.005) 31.980 7.225 ( -30.786 0.000 -2.517) 30.889 7.654 ( -12.650 0.000 3.384) 13.094 7.670 ( -12.654 0.000 1.888) 12.794 8.648 ( 20.778 0.000 0.829) 20.794 8.675 ( 18.973 0.000 -2.005) 19.078 9.639 ( -11.264 0.000 2.228) 11.482 9.645 ( -10.500 0.000 1.499) 10.607 12.519 ( 23.935 0.000 3.268) 24.157 12.582 ( 27.964 0.000 -2.750) 28.099 12.714 ( 36.655 0.000 1.005) 36.669 12.744 ( 32.924 0.000 -1.895) 32.979 14.221 ( -15.259 0.000 11.810) 19.296 14.468 ( -17.318 0.000 -12.255) 21.215 14.952 ( 41.723 0.000 7.930) 42.470 15.031 ( -22.861 0.000 1.392) 22.904 15.062 ( -22.408 0.000 -1.536) 22.460 15.183 ( 39.403 0.000 -15.284) 42.263 16.011 ( 2.611 0.000 0.705) 2.705 16.026 ( 2.425 0.000 -0.739) 2.535 16.345 ( -2.572 0.000 0.687) 2.662 16.361 ( -2.854 0.000 -0.982) 3.018 16.782 ( -13.053 0.000 3.521) 13.519 16.861 ( -12.804 0.000 -4.177) 13.468 19.678 ( 1.197 0.000 3.455) 3.656 19.726 ( -0.524 0.000 -1.301) 1.402 19.906 ( -6.835 0.000 3.817) 7.828 19.946 ( -7.243 0.000 -0.307) 7.249 ======================= Grid point 139 (50/60) ======================= q-point: ( 0.44 0.00 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 15.036 0.000 4.297) 15.638 1.653 ( 4.178 0.000 -11.188) 11.942 1.815 ( 12.312 0.000 9.311) 15.436 1.971 ( -1.725 0.000 2.936) 3.405 2.014 ( 6.575 0.000 -4.944) 8.226 2.034 ( -16.246 0.000 0.134) 16.246 2.103 ( -17.612 0.000 -6.557) 18.793 2.131 ( -3.977 0.000 -7.373) 8.377 2.803 ( -0.096 0.000 5.224) 5.225 2.828 ( -1.256 0.000 4.192) 4.376 2.904 ( -2.860 0.000 -3.868) 4.811 2.932 ( -4.775 0.000 -4.661) 6.673 3.041 ( 4.166 0.000 7.281) 8.389 3.142 ( -5.032 0.000 -1.499) 5.250 3.255 ( -0.412 0.000 1.676) 1.726 3.293 ( -3.335 0.000 -1.685) 3.736 3.296 ( 2.729 0.000 4.616) 5.362 3.380 ( -5.456 0.000 3.300) 6.376 3.426 ( 4.891 0.000 -6.966) 8.511 3.538 ( -6.119 0.000 -9.943) 11.675 4.128 ( 5.060 0.000 3.545) 6.179 4.168 ( 1.283 0.000 0.358) 1.332 4.222 ( 1.783 0.000 1.891) 2.599 4.230 ( 1.811 0.000 0.652) 1.925 4.368 ( -0.806 0.000 2.002) 2.158 4.382 ( -2.171 0.000 0.190) 2.179 4.513 ( 3.989 0.000 -0.541) 4.025 4.572 ( -1.652 0.000 -5.426) 5.672 4.756 ( 12.968 0.000 8.229) 15.359 4.844 ( 7.624 0.000 3.699) 8.474 4.929 ( 1.165 0.000 -1.543) 1.933 4.930 ( 5.278 0.000 -4.629) 7.020 4.949 ( 3.220 0.000 1.008) 3.374 4.977 ( -5.323 0.000 2.146) 5.739 5.039 ( -5.332 0.000 -3.957) 6.640 5.061 ( -1.365 0.000 -3.629) 3.878 5.560 ( 28.506 0.000 6.119) 29.156 5.665 ( 23.334 0.000 -1.940) 23.414 5.900 ( -0.922 0.000 -1.317) 1.608 5.923 ( -3.278 0.000 -1.478) 3.596 6.142 ( 4.281 0.000 -0.598) 4.323 6.181 ( 7.882 0.000 -4.815) 9.237 6.584 ( -29.533 0.000 -1.421) 29.567 6.627 ( -28.422 0.000 -5.278) 28.908 6.924 ( 7.634 0.000 2.399) 8.002 6.942 ( 6.087 0.000 0.615) 6.118 7.433 ( -8.371 0.000 2.555) 8.752 7.443 ( -9.054 0.000 1.607) 9.195 9.037 ( 18.833 0.000 0.556) 18.841 9.043 ( 18.943 0.000 -0.127) 18.944 9.378 ( -15.561 0.000 1.697) 15.654 9.390 ( -15.675 0.000 0.383) 15.679 12.935 ( 17.772 0.000 3.597) 18.132 13.004 ( 14.035 0.000 -3.095) 14.372 13.269 ( 13.722 0.000 0.546) 13.733 13.280 ( 14.544 0.000 -0.509) 14.553 14.087 ( 8.838 0.000 7.850) 11.821 14.258 ( 1.578 0.000 -8.719) 8.861 14.527 ( -28.321 0.000 2.587) 28.439 14.586 ( -25.366 0.000 -3.090) 25.553 15.651 ( 29.000 0.000 5.839) 29.582 15.798 ( 21.375 0.000 -8.017) 22.829 16.028 ( -2.538 0.000 0.309) 2.556 16.052 ( -0.657 0.000 -1.558) 1.691 16.301 ( -1.563 0.000 1.166) 1.950 16.311 ( -2.197 0.000 0.114) 2.200 16.522 ( -10.033 0.000 0.704) 10.058 16.588 ( -13.721 0.000 -5.504) 14.784 19.715 ( 2.335 0.000 1.923) 3.025 19.731 ( 0.817 0.000 0.367) 0.895 19.805 ( -3.161 0.000 2.565) 4.071 19.827 ( -4.781 0.000 0.280) 4.789 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.20 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 16.961 12.441) 21.035 1.397 ( 0.000 3.373 4.556) 5.669 1.537 ( 0.000 17.502 -6.199) 18.567 1.648 ( 0.000 -2.799 -1.010) 2.975 1.767 ( 0.000 -0.937 4.290) 4.392 1.886 ( 0.000 -11.061 -2.873) 11.428 2.299 ( 0.000 13.851 12.674) 18.774 2.323 ( 0.000 2.199 10.365) 10.596 2.495 ( 0.000 3.704 1.301) 3.926 2.519 ( 0.000 8.206 -4.349) 9.287 2.713 ( 0.000 -7.833 -4.226) 8.900 2.728 ( 0.000 -9.319 -4.007) 10.144 2.922 ( 0.000 1.338 0.525) 1.438 2.926 ( 0.000 -2.271 -2.133) 3.115 3.293 ( 0.000 4.246 7.014) 8.199 3.412 ( 0.000 1.801 -2.774) 3.308 3.521 ( 0.000 1.368 -4.740) 4.933 3.615 ( 0.000 -0.556 -9.833) 9.849 3.733 ( 0.000 1.319 2.584) 2.901 3.770 ( 0.000 1.121 -1.898) 2.204 3.926 ( 0.000 -3.414 11.091) 11.605 3.946 ( 0.000 0.367 7.798) 7.806 3.991 ( 0.000 -5.118 10.032) 11.262 4.145 ( 0.000 -2.369 -0.920) 2.541 4.199 ( 0.000 -0.314 -5.768) 5.776 4.209 ( 0.000 -0.719 -8.678) 8.708 4.289 ( 0.000 0.773 2.464) 2.583 4.297 ( 0.000 -2.198 3.182) 3.867 4.464 ( 0.000 -2.489 -0.566) 2.553 4.479 ( 0.000 -3.745 3.953) 5.445 4.677 ( 0.000 3.555 1.557) 3.881 4.761 ( 0.000 3.314 -2.919) 4.416 4.910 ( 0.000 -3.268 5.630) 6.510 4.928 ( 0.000 -4.618 -1.965) 5.019 5.143 ( 0.000 -4.264 3.936) 5.803 5.190 ( 0.000 1.106 4.632) 4.762 5.358 ( 0.000 1.670 3.732) 4.088 5.394 ( 0.000 4.649 -4.090) 6.192 5.460 ( 0.000 -6.712 -1.130) 6.807 5.484 ( 0.000 -2.986 -7.475) 8.049 5.569 ( 0.000 0.583 -13.872) 13.884 5.635 ( 0.000 -1.677 -11.613) 11.734 6.696 ( 0.000 2.681 -1.640) 3.143 6.713 ( 0.000 2.018 -3.177) 3.764 7.779 ( 0.000 -2.291 5.352) 5.821 7.808 ( 0.000 -3.679 2.826) 4.639 8.228 ( 0.000 9.271 4.574) 10.338 8.253 ( 0.000 11.111 3.313) 11.594 8.369 ( 0.000 1.157 -2.205) 2.490 8.412 ( 0.000 0.403 -4.695) 4.713 9.776 ( 0.000 -5.012 5.461) 7.413 9.862 ( 0.000 -8.410 -2.624) 8.810 11.111 ( 0.000 0.186 0.092) 0.207 11.113 ( 0.000 0.128 -0.107) 0.167 11.795 ( 0.000 1.483 2.437) 2.853 11.844 ( 0.000 0.582 -2.358) 2.429 13.055 ( 0.000 0.027 0.046) 0.053 13.055 ( 0.000 0.019 0.020) 0.027 14.876 ( 0.000 6.023 9.851) 11.546 15.119 ( 0.000 -0.652 -13.554) 13.569 15.677 ( 0.000 0.348 0.942) 1.004 15.700 ( 0.000 -0.230 -1.307) 1.327 15.931 ( 0.000 1.349 0.045) 1.349 15.931 ( 0.000 1.273 0.036) 1.274 16.429 ( 0.000 -0.235 0.649) 0.690 16.455 ( 0.000 -0.761 -1.955) 2.098 17.139 ( 0.000 0.397 4.007) 4.027 17.208 ( 0.000 -1.192 -2.720) 2.970 19.721 ( 0.000 4.131 6.477) 7.682 19.819 ( 0.000 3.377 -3.330) 4.743 20.183 ( 0.000 -5.119 3.867) 6.416 20.246 ( 0.000 -8.880 -1.929) 9.087 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.11 0.20 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.854 14.914 14.288) 21.468 1.557 ( 7.252 11.890 -12.299) 18.580 1.641 ( 0.740 6.686 12.106) 13.850 1.852 ( -4.632 -6.096 -3.882) 8.584 1.891 ( 18.307 -1.787 7.769) 19.967 2.030 ( 27.503 -0.482 -5.326) 28.019 2.303 ( 6.921 8.752 6.144) 12.737 2.369 ( 3.813 8.498 0.148) 9.315 2.521 ( 7.807 4.387 6.105) 10.838 2.623 ( 9.425 1.082 -0.579) 9.505 2.734 ( 5.850 -8.807 -1.949) 10.751 2.834 ( 7.733 -7.086 -3.591) 11.086 2.969 ( 4.435 -1.038 0.011) 4.555 3.001 ( 6.903 -1.607 -0.556) 7.109 3.272 ( -2.182 5.020 6.413) 8.431 3.404 ( -0.886 2.733 -4.126) 5.027 3.480 ( -3.530 0.403 -3.005) 4.654 3.537 ( -7.875 -0.038 -2.834) 8.370 3.725 ( -0.701 0.534 3.363) 3.476 3.771 ( 0.217 1.457 -1.273) 1.947 3.866 ( -7.085 -2.250 4.726) 8.808 3.876 ( -5.769 -2.724 1.765) 6.619 3.959 ( -3.858 -0.413 6.673) 7.719 4.081 ( -6.898 1.477 -2.803) 7.591 4.140 ( -3.664 -1.811 -2.031) 4.563 4.200 ( 0.666 -0.533 -2.883) 3.007 4.302 ( 1.327 -0.724 4.523) 4.769 4.361 ( 4.731 -2.081 1.439) 5.365 4.437 ( -1.151 -4.948 2.005) 5.461 4.513 ( 1.283 -5.898 -3.635) 7.046 4.642 ( -2.074 -0.756 2.157) 3.086 4.678 ( -4.769 -1.702 0.828) 5.131 4.797 ( -4.043 1.093 4.960) 6.492 4.917 ( -1.792 3.194 -6.072) 7.091 5.164 ( 0.234 -0.904 4.203) 4.306 5.236 ( 0.976 -0.609 0.572) 1.285 5.340 ( -3.162 -0.106 -0.030) 3.164 5.455 ( -0.906 -4.572 -4.703) 6.621 5.512 ( 6.450 2.047 2.702) 7.286 5.533 ( 11.313 -1.118 3.687) 11.951 5.691 ( 7.094 -0.130 -13.101) 14.899 5.721 ( 10.869 -2.087 -13.275) 17.284 6.688 ( -0.378 2.718 -1.008) 2.923 6.713 ( 0.146 2.023 -3.245) 3.827 7.854 ( 5.436 -3.045 4.819) 7.877 7.886 ( 6.167 -4.267 2.307) 7.846 8.151 ( -9.687 5.711 3.626) 11.816 8.193 ( -13.049 1.643 3.267) 13.552 8.221 ( -5.973 9.434 -1.267) 11.237 8.310 ( -6.182 3.826 -5.751) 9.270 9.782 ( 0.057 -4.454 4.470) 6.311 9.838 ( -2.337 -6.792 -0.611) 7.209 11.335 ( 22.567 0.535 0.509) 22.579 11.347 ( 23.079 0.313 -0.705) 23.092 11.895 ( 10.251 1.356 2.600) 10.662 11.948 ( 10.693 0.239 -2.558) 10.997 13.367 ( 30.578 0.299 2.504) 30.681 13.446 ( 36.681 -2.044 -5.590) 37.161 14.800 ( -7.768 6.034 9.190) 13.461 15.035 ( -8.661 -0.513 -13.270) 15.855 15.609 ( -7.166 0.374 0.976) 7.242 15.632 ( -7.162 -0.190 -1.279) 7.277 15.939 ( 1.067 1.230 0.456) 1.691 15.947 ( 1.449 1.110 -0.329) 1.854 16.419 ( -1.089 -0.219 0.632) 1.278 16.443 ( -1.247 -0.702 -1.813) 2.310 17.100 ( -4.062 0.214 3.923) 5.652 17.167 ( -4.207 -1.342 -2.638) 5.143 19.711 ( -0.850 3.717 6.126) 7.216 19.804 ( -1.418 3.099 -3.136) 4.632 20.135 ( -4.804 -4.841 3.539) 7.683 20.183 ( -5.917 -7.467 -0.761) 9.557 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.22 0.20 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.682 1.548 15.433) 15.525 1.555 ( -1.420 11.708 9.696) 15.268 1.612 ( -3.287 -1.844 -6.985) 7.936 1.796 ( 4.185 14.122 -11.366) 18.605 2.058 ( 1.735 7.081 8.075) 10.880 2.257 ( -0.812 7.276 -10.769) 13.022 2.538 ( 6.286 -1.720 1.671) 6.728 2.569 ( 7.551 -3.870 -0.719) 8.516 2.755 ( 7.131 0.937 3.343) 7.931 2.799 ( 5.873 0.999 3.880) 7.109 2.905 ( 7.320 -4.641 -0.769) 8.701 2.974 ( 3.579 -6.335 0.536) 7.296 3.119 ( 6.367 -0.750 1.262) 6.534 3.163 ( 6.705 -1.013 -3.557) 7.657 3.246 ( 2.666 6.370 6.167) 9.258 3.372 ( -2.395 2.587 -1.972) 4.039 3.397 ( -0.116 1.935 0.316) 1.964 3.463 ( 1.825 -0.614 -0.957) 2.150 3.691 ( -4.498 -1.745 2.895) 5.626 3.744 ( -4.482 0.510 0.233) 4.517 3.758 ( 3.224 -1.228 -1.482) 3.755 3.793 ( 0.247 -3.311 -4.091) 5.269 3.904 ( 4.535 3.426 2.896) 6.379 3.949 ( -0.381 1.353 -1.626) 2.149 4.133 ( 1.358 -2.153 5.517) 6.076 4.254 ( 4.707 -1.871 -5.163) 7.232 4.332 ( 2.110 -4.272 6.744) 8.258 4.414 ( 2.031 -3.959 4.604) 6.403 4.486 ( 4.669 -0.890 -2.761) 5.497 4.508 ( 0.403 -6.184 -8.097) 10.197 4.654 ( 3.201 -4.812 1.961) 6.103 4.674 ( 3.582 -2.692 0.547) 4.514 4.769 ( 0.727 3.730 5.172) 6.418 4.891 ( -0.777 5.576 -4.796) 7.396 5.148 ( -1.522 1.604 2.038) 3.007 5.213 ( -2.553 0.234 -3.197) 4.098 5.283 ( -2.990 -0.829 4.459) 5.432 5.414 ( -2.513 -2.512 -4.325) 5.598 5.647 ( 8.479 1.082 1.497) 8.678 5.783 ( 10.333 -3.041 -0.603) 10.788 5.838 ( 9.070 1.443 -5.996) 10.968 5.937 ( 9.652 -1.435 -7.910) 12.561 6.703 ( 2.502 2.879 0.258) 3.823 6.735 ( 2.718 2.116 -2.765) 4.417 7.755 ( -21.771 0.066 1.157) 21.801 7.775 ( -25.981 0.268 -0.690) 25.992 7.884 ( -8.330 -0.088 2.971) 8.844 7.900 ( -10.058 0.280 1.293) 10.145 8.312 ( 14.305 4.458 2.490) 15.189 8.374 ( 12.193 3.353 -3.725) 13.183 9.751 ( -3.919 -3.367 2.766) 5.861 9.766 ( -5.573 -4.257 1.646) 7.204 11.920 ( 36.221 0.999 0.699) 36.241 11.938 ( 36.173 0.671 -1.032) 36.194 12.178 ( 18.993 1.056 3.153) 19.282 12.244 ( 19.672 -0.387 -3.204) 19.935 14.114 ( 43.728 0.542 6.245) 44.175 14.264 ( 40.441 -5.044 -5.737) 41.156 14.606 ( -8.189 6.531 2.319) 10.728 14.798 ( -15.305 -0.175 -12.786) 19.944 15.399 ( -14.739 0.462 1.020) 14.781 15.422 ( -14.758 -0.070 -1.200) 14.806 15.971 ( 2.225 0.981 0.755) 2.546 15.985 ( 2.407 0.822 -0.589) 2.611 16.388 ( -2.059 -0.187 0.604) 2.154 16.408 ( -2.296 -0.525 -1.418) 2.749 16.982 ( -8.296 -0.148 3.566) 9.031 17.046 ( -8.435 -1.637 -2.644) 8.990 19.695 ( -0.675 2.720 5.084) 5.805 19.770 ( -1.874 2.375 -2.442) 3.888 20.012 ( -7.325 -4.149 3.801) 9.237 20.052 ( -7.127 -4.520 -0.130) 8.441 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.33 0.20 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 2.539 -0.332 10.517) 10.824 1.516 ( 0.212 -6.082 -8.468) 10.428 1.715 ( 10.725 14.750 9.274) 20.460 1.938 ( 8.409 12.382 -11.612) 18.944 2.073 ( 0.239 6.502 5.897) 8.781 2.230 ( -2.103 5.322 -9.083) 10.735 2.417 ( -17.059 -0.169 -0.921) 17.084 2.455 ( -16.496 -1.773 -3.827) 17.026 2.791 ( 1.522 -3.238 6.392) 7.325 2.847 ( 0.353 0.100 5.053) 5.066 2.917 ( -1.024 -2.634 3.081) 4.181 2.985 ( -1.906 -5.054 -6.426) 8.394 3.095 ( -3.040 4.457 5.088) 7.415 3.167 ( -1.910 0.508 -1.193) 2.309 3.300 ( -4.419 -1.276 0.606) 4.639 3.328 ( -4.374 2.200 -1.018) 5.001 3.382 ( -2.426 2.069 -1.722) 3.623 3.413 ( -0.581 5.669 -3.080) 6.478 3.552 ( -8.164 1.699 3.599) 9.082 3.679 ( -5.183 1.882 -9.283) 10.797 3.880 ( 9.350 -8.415 3.255) 12.993 3.958 ( 8.029 -8.507 -4.159) 12.415 4.121 ( 9.187 -0.853 3.404) 9.834 4.165 ( 2.830 -3.149 3.176) 5.293 4.268 ( 15.377 -0.580 5.896) 16.478 4.367 ( 4.081 -3.810 -1.619) 5.813 4.408 ( 11.150 -1.769 6.689) 13.122 4.477 ( 4.988 0.005 4.213) 6.529 4.584 ( 5.595 0.596 -3.981) 6.893 4.642 ( 15.702 -0.437 -10.849) 19.090 4.722 ( 1.864 0.327 4.205) 4.611 4.779 ( 7.035 -3.960 -1.345) 8.185 4.861 ( 10.553 -2.240 1.144) 10.849 4.918 ( 6.052 1.252 -2.794) 6.782 5.109 ( -2.570 3.625 1.522) 4.697 5.160 ( -2.730 1.834 -2.720) 4.268 5.249 ( 1.934 1.002 5.670) 6.074 5.390 ( 2.011 -1.807 -4.871) 5.571 5.811 ( 7.888 1.174 -0.263) 7.979 5.915 ( 4.164 -0.546 -7.863) 8.914 6.018 ( 8.371 -0.644 2.224) 8.685 6.073 ( 4.495 -1.075 -2.914) 5.464 6.800 ( 7.620 3.306 1.595) 8.458 6.831 ( 7.319 2.690 -1.404) 7.923 7.209 ( -32.015 0.110 -1.007) 32.031 7.224 ( -31.010 -0.045 -2.464) 31.108 7.665 ( -13.101 0.940 3.423) 13.573 7.679 ( -13.117 0.812 1.980) 13.290 8.657 ( 19.771 0.910 0.789) 19.808 8.682 ( 18.150 0.565 -1.742) 18.242 9.612 ( -10.539 -2.446 2.234) 11.048 9.619 ( -9.916 -2.379 1.396) 10.292 12.544 ( 23.916 2.432 2.705) 24.191 12.597 ( 27.692 1.402 -2.346) 27.826 12.709 ( 36.439 -0.606 0.717) 36.451 12.731 ( 33.099 -1.347 -1.439) 33.157 14.254 ( -15.002 3.201 10.401) 18.534 14.458 ( -16.806 -1.244 -8.910) 19.062 14.954 ( 31.844 0.514 4.056) 32.105 15.034 ( -17.398 -0.259 0.009) 17.400 15.070 ( -13.789 1.139 -0.760) 13.857 15.172 ( 34.834 -1.152 -13.014) 37.203 16.019 ( 2.506 0.758 0.757) 2.725 16.034 ( 2.419 0.687 -0.690) 2.608 16.342 ( -2.608 -0.181 0.702) 2.707 16.358 ( -2.675 -0.254 -0.979) 2.860 16.775 ( -13.345 -0.544 2.921) 13.672 16.839 ( -13.087 -2.020 -3.370) 13.664 19.693 ( 0.615 1.555 3.526) 3.903 19.741 ( -1.020 1.444 -1.182) 2.127 19.880 ( -5.978 -2.521 3.761) 7.499 19.920 ( -6.392 -2.579 -0.313) 6.900 ======================= Grid point 148 (55/60) ======================= q-point: ( 0.44 0.20 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 15.558 0.584 3.004) 15.857 1.620 ( 8.373 -2.629 -8.644) 12.318 1.898 ( 3.333 6.255 5.088) 8.725 1.953 ( -14.904 -1.668 -0.839) 15.021 2.062 ( -7.023 2.758 -0.011) 7.545 2.101 ( 1.847 6.692 -3.739) 7.885 2.132 ( -6.855 5.591 -2.250) 9.128 2.206 ( -4.477 5.781 -5.704) 9.274 2.835 ( 1.763 2.172 3.950) 4.840 2.841 ( 0.483 1.921 4.545) 4.958 2.921 ( -1.493 1.210 -3.318) 3.835 2.933 ( -0.631 -0.264 -1.906) 2.025 3.040 ( -0.919 0.619 3.239) 3.423 3.107 ( -5.195 -2.600 -1.314) 5.956 3.201 ( -1.839 -4.480 1.181) 4.985 3.232 ( -4.125 -4.627 -1.749) 6.441 3.356 ( 1.567 4.911 5.418) 7.479 3.426 ( -5.163 4.149 4.477) 7.995 3.479 ( 4.716 4.517 -7.246) 9.755 3.576 ( -5.281 3.299 -9.497) 11.357 4.012 ( 3.811 -8.458 1.616) 9.417 4.040 ( 0.794 -7.931 -0.948) 8.027 4.208 ( 3.493 -7.294 1.214) 8.178 4.238 ( 1.800 -9.076 -1.321) 9.347 4.327 ( 0.897 4.243 4.541) 6.279 4.368 ( -2.245 2.786 0.600) 3.628 4.561 ( 4.354 2.631 0.113) 5.088 4.627 ( -1.491 3.929 -5.362) 6.813 4.673 ( 7.901 -6.520 8.966) 13.614 4.741 ( 0.158 -6.470 8.165) 10.419 4.843 ( 4.969 -6.965 -5.449) 10.144 4.876 ( 2.028 -4.170 -5.777) 7.408 5.019 ( 2.339 4.093 1.044) 4.829 5.047 ( -1.605 5.882 0.378) 6.109 5.089 ( 1.875 2.848 -2.630) 4.306 5.116 ( -1.492 3.576 -2.374) 4.544 5.572 ( 28.370 1.160 5.262) 28.877 5.658 ( 24.219 -0.723 -1.444) 24.273 5.906 ( -1.501 0.654 -1.092) 1.968 5.928 ( -3.354 0.425 -1.582) 3.732 6.142 ( 5.494 0.014 -0.603) 5.527 6.173 ( 9.043 -0.661 -4.075) 9.941 6.577 ( -30.625 -0.526 -1.745) 30.679 6.613 ( -29.299 -1.293 -4.818) 29.720 6.980 ( 8.761 5.158 2.049) 10.371 6.996 ( 7.669 4.871 0.588) 9.104 7.424 ( -9.889 -1.017 2.651) 10.289 7.434 ( -10.496 -1.030 1.679) 10.679 9.033 ( 18.429 -0.358 0.504) 18.439 9.038 ( 18.468 -0.461 -0.062) 18.474 9.362 ( -15.116 -1.354 1.611) 15.262 9.374 ( -15.267 -1.524 0.448) 15.349 12.963 ( 18.176 2.792 3.058) 18.642 13.025 ( 15.301 1.890 -2.867) 15.682 13.251 ( 12.750 -1.708 0.693) 12.882 13.264 ( 13.782 -1.572 -0.519) 13.881 14.113 ( 7.932 2.509 6.532) 10.577 14.253 ( 1.975 -0.661 -7.016) 7.318 14.536 ( -27.841 0.867 2.145) 27.937 14.584 ( -25.381 -0.233 -2.485) 25.504 15.671 ( 29.169 2.033 4.239) 29.545 15.794 ( 23.380 -0.480 -7.456) 24.545 16.035 ( -2.961 0.617 0.506) 3.066 16.057 ( -1.227 0.372 -1.368) 1.875 16.299 ( -1.330 -0.041 1.134) 1.749 16.313 ( -1.868 0.306 -0.380) 1.931 16.502 ( -11.336 -1.835 0.753) 11.508 16.559 ( -14.179 -2.810 -4.707) 15.202 19.719 ( 1.917 0.513 1.952) 2.784 19.736 ( 0.378 0.512 0.372) 0.737 19.793 ( -2.655 -1.148 2.492) 3.818 19.814 ( -4.232 -1.276 0.324) 4.432 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.40 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.000 6.161 8.149) 10.216 1.442 ( 0.000 2.090 7.903) 8.175 1.579 ( 0.000 -1.393 7.249) 7.382 1.651 ( 0.000 -6.972 1.353) 7.102 1.919 ( 0.000 15.017 0.986) 15.049 2.011 ( 0.000 21.230 -9.255) 23.159 2.237 ( 0.000 -9.932 11.024) 14.838 2.450 ( 0.000 -17.650 -5.581) 18.511 2.527 ( 0.000 6.536 -0.849) 6.591 2.594 ( 0.000 -2.424 -5.738) 6.229 2.610 ( 0.000 6.950 0.661) 6.981 2.660 ( 0.000 2.859 -5.401) 6.111 2.874 ( 0.000 -1.663 4.132) 4.454 2.903 ( 0.000 -3.007 4.422) 5.347 3.382 ( 0.000 4.230 7.679) 8.767 3.431 ( 0.000 -0.609 5.331) 5.366 3.571 ( 0.000 3.087 -9.504) 9.993 3.606 ( 0.000 -0.598 -10.046) 10.064 3.764 ( 0.000 1.753 3.413) 3.837 3.784 ( 0.000 0.092 0.712) 0.718 3.861 ( 0.000 -2.271 8.139) 8.450 3.880 ( 0.000 -4.119 6.754) 7.911 3.992 ( 0.000 3.357 6.460) 7.280 4.075 ( 0.000 -4.678 2.033) 5.100 4.192 ( 0.000 -0.207 -6.809) 6.812 4.195 ( 0.000 -0.465 -9.444) 9.455 4.266 ( 0.000 -0.124 8.104) 8.105 4.284 ( 0.000 -1.201 4.973) 5.116 4.427 ( 0.000 -0.991 -0.049) 0.992 4.436 ( 0.000 -1.215 -2.477) 2.759 4.742 ( 0.000 3.206 4.687) 5.678 4.772 ( 0.000 -0.574 1.043) 1.190 4.832 ( 0.000 -3.170 -3.274) 4.557 4.852 ( 0.000 -3.879 -5.003) 6.331 5.111 ( 0.000 0.542 10.696) 10.710 5.161 ( 0.000 -4.626 10.539) 11.510 5.327 ( 0.000 2.444 -3.868) 4.575 5.396 ( 0.000 -3.612 -8.712) 9.432 5.470 ( 0.000 1.975 -1.351) 2.393 5.475 ( 0.000 1.373 -2.672) 3.004 5.583 ( 0.000 0.851 -13.312) 13.339 5.604 ( 0.000 -1.430 -12.694) 12.775 6.740 ( 0.000 1.497 -2.127) 2.601 6.746 ( 0.000 0.903 -2.592) 2.745 7.751 ( 0.000 -0.499 4.049) 4.079 7.760 ( 0.000 -1.384 3.290) 3.569 8.354 ( 0.000 1.867 2.855) 3.411 8.356 ( 0.000 0.842 2.147) 2.306 8.460 ( 0.000 4.568 -1.573) 4.832 8.465 ( 0.000 5.347 -1.726) 5.619 9.681 ( 0.000 -3.323 3.185) 4.603 9.703 ( 0.000 -5.984 1.205) 6.105 11.115 ( 0.000 0.123 0.052) 0.133 11.115 ( 0.000 0.044 -0.022) 0.049 11.827 ( 0.000 1.565 1.160) 1.948 11.847 ( 0.000 -0.449 -0.818) 0.933 13.055 ( 0.000 0.014 0.039) 0.041 13.055 ( 0.000 0.015 0.040) 0.043 15.001 ( 0.000 6.033 0.047) 6.033 15.088 ( 0.000 -2.947 -8.151) 8.667 15.686 ( 0.000 0.477 0.316) 0.572 15.694 ( 0.000 -0.399 -0.523) 0.658 15.955 ( 0.000 0.892 0.028) 0.892 15.955 ( 0.000 0.869 -0.002) 0.869 16.427 ( 0.000 0.164 -0.036) 0.168 16.438 ( 0.000 -0.846 -1.096) 1.384 17.153 ( 0.000 1.072 2.040) 2.305 17.180 ( 0.000 -1.583 -0.554) 1.677 19.839 ( 0.000 7.989 5.442) 9.667 19.908 ( 0.000 5.099 -1.711) 5.379 20.048 ( 0.000 -9.977 2.814) 10.366 20.060 ( 0.000 -6.962 1.077) 7.045 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.11 0.40 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -2.977 6.845 11.898) 14.046 1.592 ( -5.572 -6.394 1.322) 8.583 1.774 ( 20.345 6.764 7.403) 22.682 1.841 ( 25.117 -1.510 2.836) 25.321 2.054 ( 6.483 16.617 -0.103) 17.837 2.150 ( 17.202 15.891 -6.661) 24.347 2.358 ( 6.621 -10.921 9.159) 15.716 2.434 ( 4.612 -2.054 2.511) 5.638 2.528 ( 2.847 -1.747 -5.781) 6.676 2.576 ( 2.116 -7.331 -8.241) 11.231 2.693 ( 9.123 2.680 -3.439) 10.112 2.724 ( 6.780 1.902 -5.160) 8.729 2.923 ( 4.897 -1.195 6.237) 8.020 2.961 ( 5.094 -3.440 3.637) 7.143 3.374 ( -1.221 4.754 6.314) 7.998 3.432 ( -0.237 -1.004 5.024) 5.129 3.509 ( -5.539 2.475 -6.440) 8.848 3.537 ( -6.543 -0.269 -3.644) 7.494 3.746 ( -2.237 1.931 4.086) 5.042 3.790 ( -0.342 -1.022 1.582) 1.915 3.817 ( -4.387 -0.928 0.779) 4.552 3.833 ( -3.852 -1.770 -0.562) 4.276 3.978 ( -0.651 2.781 8.046) 8.538 4.052 ( -2.073 -3.966 4.477) 6.330 4.136 ( -6.041 1.246 -6.385) 8.878 4.170 ( -2.619 -2.164 -4.992) 6.039 4.304 ( 0.417 1.347 4.257) 4.485 4.328 ( 2.420 -0.683 4.241) 4.931 4.376 ( 0.045 -1.799 -1.383) 2.270 4.399 ( -2.298 -4.921 -2.560) 6.004 4.606 ( -6.124 -1.087 0.273) 6.226 4.627 ( -7.385 -2.921 -1.459) 8.074 4.845 ( 1.323 3.442 4.717) 5.987 4.914 ( 1.716 -3.047 -0.406) 3.520 5.180 ( 3.477 2.495 4.230) 6.017 5.246 ( 3.552 -2.784 4.626) 6.463 5.301 ( -2.462 1.844 -4.283) 5.274 5.375 ( -1.457 -3.989 -6.720) 7.950 5.529 ( 6.209 1.089 1.350) 6.447 5.544 ( 6.860 0.060 2.206) 7.206 5.690 ( 8.315 0.341 -12.771) 15.243 5.701 ( 10.542 -0.555 -12.578) 16.421 6.735 ( -0.155 1.690 -1.697) 2.400 6.744 ( 0.083 0.777 -2.506) 2.626 7.821 ( 5.619 -0.462 3.870) 6.838 7.832 ( 6.088 -1.595 2.939) 6.946 8.196 ( -15.842 0.718 0.176) 15.859 8.205 ( -15.392 -0.068 -0.390) 15.397 8.391 ( -4.440 6.315 1.670) 7.898 8.416 ( -3.802 3.923 -0.808) 5.522 9.698 ( 1.029 -2.983 2.829) 4.238 9.712 ( 0.329 -4.668 1.665) 4.967 11.346 ( 23.090 0.489 0.134) 23.096 11.351 ( 23.293 -0.026 -0.377) 23.296 11.925 ( 10.100 1.506 1.132) 10.274 11.946 ( 10.224 -0.603 -0.921) 10.283 13.379 ( 31.421 0.961 0.896) 31.448 13.406 ( 33.507 -1.878 -1.777) 33.607 14.923 ( -7.941 5.885 -0.478) 9.896 15.007 ( -8.336 -2.752 -8.244) 12.043 15.617 ( -7.114 0.498 0.335) 7.140 15.626 ( -7.104 -0.390 -0.520) 7.133 15.963 ( 0.928 0.962 0.246) 1.360 15.967 ( 1.108 0.618 -0.111) 1.274 16.417 ( -1.067 0.161 -0.005) 1.079 16.427 ( -1.121 -0.791 -1.008) 1.703 17.110 ( -4.385 0.936 2.017) 4.916 17.136 ( -4.442 -1.661 -0.511) 4.769 19.817 ( -2.084 7.051 5.342) 9.088 19.884 ( -2.316 4.275 -1.557) 5.105 20.004 ( -3.985 -7.760 3.424) 9.371 20.031 ( -3.021 -6.848 0.392) 7.495 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.22 0.40 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -5.878 2.850 8.757) 10.926 1.458 ( -6.822 -6.588 0.224) 9.486 1.949 ( 3.643 19.550 6.932) 21.060 2.094 ( 5.261 9.915 -6.543) 12.992 2.200 ( 1.896 6.654 6.704) 9.634 2.321 ( 0.455 -3.727 -1.545) 4.060 2.478 ( 6.312 -1.370 -0.930) 6.525 2.527 ( 0.654 -0.770 -3.225) 3.379 2.695 ( 6.442 -3.002 -2.532) 7.545 2.777 ( 9.188 -9.799 -6.858) 15.082 2.853 ( 5.014 3.121 0.968) 5.985 2.897 ( 3.687 -0.903 -0.540) 3.834 3.100 ( 10.185 -0.312 4.438) 11.114 3.123 ( 9.884 -2.314 2.428) 10.437 3.358 ( 2.093 4.114 4.999) 6.804 3.399 ( 1.136 -0.132 3.327) 3.518 3.443 ( -0.769 1.546 -1.381) 2.211 3.454 ( -0.484 0.093 1.786) 1.853 3.686 ( -5.682 0.936 -2.014) 6.100 3.714 ( 0.919 -2.083 -3.607) 4.265 3.774 ( -3.530 1.650 -1.280) 4.102 3.778 ( -1.931 0.863 -1.943) 2.872 3.948 ( 1.943 0.999 2.606) 3.400 3.957 ( -0.618 -0.375 1.241) 1.436 4.101 ( 1.933 -0.112 5.834) 6.147 4.162 ( 3.002 -6.076 3.968) 7.854 4.274 ( 0.632 0.391 -2.394) 2.507 4.341 ( 1.093 -5.316 -2.940) 6.172 4.454 ( 6.708 0.918 -1.053) 6.852 4.474 ( 6.479 -0.653 -1.441) 6.669 4.576 ( 2.669 -2.526 -0.177) 3.679 4.586 ( 2.494 -3.696 -1.252) 4.631 4.860 ( 0.039 4.271 6.289) 7.602 4.922 ( -0.830 -1.802 2.053) 2.855 5.208 ( -0.015 3.404 -0.563) 3.451 5.244 ( -3.174 2.482 -3.289) 5.201 5.261 ( -0.659 -0.458 1.154) 1.405 5.342 ( -1.773 -4.781 -5.679) 7.632 5.676 ( 8.902 1.988 1.237) 9.205 5.723 ( 9.748 -2.876 0.023) 10.164 5.873 ( 9.314 1.954 -6.210) 11.364 5.907 ( 9.565 -1.652 -7.255) 12.118 6.755 ( 2.817 1.978 -0.717) 3.516 6.767 ( 2.927 0.721 -1.886) 3.556 7.764 ( -22.271 0.833 1.598) 22.344 7.777 ( -25.288 -0.244 0.398) 25.293 7.884 ( -5.439 0.236 1.585) 5.671 7.895 ( -7.841 -0.717 0.468) 7.888 8.403 ( 8.507 3.958 1.530) 9.507 8.430 ( 7.866 1.380 -1.156) 8.070 9.687 ( -2.888 -2.360 2.182) 4.321 9.689 ( -3.327 -2.666 2.082) 4.745 11.940 ( 36.762 0.864 0.207) 36.773 11.948 ( 36.794 0.131 -0.524) 36.798 12.204 ( 18.456 1.475 1.224) 18.555 12.230 ( 18.802 -1.099 -1.278) 18.877 14.134 ( 43.002 1.633 3.954) 43.214 14.181 ( 41.280 -3.382 0.500) 41.421 14.719 ( -10.784 4.745 -5.276) 12.909 14.782 ( -13.896 -1.861 -9.829) 17.123 15.409 ( -14.586 0.563 0.356) 14.601 15.418 ( -14.584 -0.328 -0.504) 14.597 15.992 ( 2.014 0.908 0.467) 2.258 15.998 ( 2.119 0.302 -0.170) 2.147 16.387 ( -2.017 0.173 0.091) 2.026 16.396 ( -2.069 -0.647 -0.787) 2.306 16.986 ( -8.661 0.661 1.778) 8.866 17.010 ( -8.716 -1.808 -0.608) 8.922 19.771 ( -2.381 4.978 4.759) 7.287 19.828 ( -3.230 2.338 -0.762) 4.059 19.914 ( -4.926 -4.304 3.439) 7.391 19.953 ( -4.799 -5.177 -0.369) 7.069 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.40 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 3.182 2.449 4.360) 5.927 1.399 ( 2.225 -5.447 -2.729) 6.486 2.035 ( 5.136 15.857 6.303) 17.820 2.169 ( 1.585 4.854 -3.731) 6.325 2.202 ( 0.936 8.583 1.211) 8.718 2.305 ( -3.976 1.354 -6.259) 7.538 2.380 ( -14.811 -4.448 -0.220) 15.466 2.407 ( -14.307 -2.877 -3.449) 14.995 2.744 ( 3.591 0.886 2.973) 4.746 2.832 ( 0.549 -4.340 2.733) 5.158 2.869 ( 1.984 -1.729 -4.018) 4.803 2.891 ( 0.173 -2.322 -1.652) 2.855 3.158 ( -1.744 2.214 3.099) 4.189 3.181 ( -3.512 0.035 1.467) 3.807 3.293 ( -8.038 0.800 1.239) 8.172 3.319 ( -9.326 -1.451 -0.943) 9.485 3.468 ( 0.365 5.330 3.039) 6.146 3.554 ( -4.124 5.885 -1.204) 7.287 3.568 ( 2.250 -0.074 2.051) 3.045 3.695 ( -3.272 -3.336 -6.974) 8.395 3.756 ( 4.483 -0.604 -0.507) 4.552 3.809 ( 6.008 -5.189 -4.797) 9.276 4.074 ( -0.330 -3.103 -0.828) 3.229 4.081 ( 0.446 -3.994 -1.069) 4.159 4.250 ( 11.547 -0.148 8.256) 14.196 4.281 ( 10.782 -3.485 8.449) 14.134 4.426 ( 13.665 2.113 0.198) 13.829 4.465 ( 10.836 -1.478 1.553) 11.046 4.589 ( 4.724 0.284 0.064) 4.733 4.611 ( 7.277 -2.154 -3.806) 8.490 4.712 ( 10.169 -0.609 -2.760) 10.554 4.718 ( 12.887 -1.331 -3.225) 13.351 4.869 ( 4.804 1.920 3.708) 6.365 4.909 ( 3.060 -1.893 1.324) 3.834 5.184 ( -2.456 2.931 -0.865) 3.921 5.193 ( -1.665 1.338 -1.018) 2.366 5.277 ( 4.487 2.241 -0.064) 5.016 5.339 ( 3.413 -3.430 -4.527) 6.626 5.843 ( 7.695 2.124 -1.339) 8.094 5.887 ( 6.603 -2.173 -4.458) 8.258 6.022 ( 6.309 1.057 0.138) 6.399 6.048 ( 5.108 -1.422 -2.019) 5.674 6.861 ( 8.273 2.338 0.617) 8.619 6.874 ( 8.256 1.064 -0.628) 8.348 7.214 ( -31.913 0.403 -1.347) 31.944 7.222 ( -31.465 -0.275 -2.064) 31.533 7.683 ( -13.785 0.795 3.153) 14.164 7.690 ( -13.789 0.130 2.447) 14.005 8.678 ( 17.679 1.082 0.322) 17.715 8.690 ( 16.946 0.019 -0.813) 16.966 9.569 ( -9.178 -1.360 1.944) 9.480 9.573 ( -9.015 -1.739 1.441) 9.293 12.601 ( 23.242 2.934 1.123) 23.454 12.624 ( 25.049 0.874 -1.218) 25.094 12.692 ( 36.743 -0.965 0.138) 36.756 12.697 ( 35.588 -1.728 -0.363) 35.632 14.333 ( -14.728 4.608 6.087) 16.589 14.413 ( -15.454 -3.457 -1.096) 15.874 14.978 ( 14.864 1.830 -1.973) 15.106 15.014 ( -4.214 -1.696 -3.165) 5.536 15.103 ( 2.863 2.025 -1.519) 3.821 15.142 ( 21.030 -1.929 -7.009) 22.251 16.036 ( 2.328 0.810 0.536) 2.522 16.044 ( 2.348 0.121 -0.211) 2.361 16.342 ( -2.486 0.280 0.269) 2.516 16.351 ( -2.395 -0.499 -0.607) 2.521 16.771 ( -13.811 0.420 1.165) 13.866 16.796 ( -13.666 -2.094 -1.284) 13.885 19.736 ( -1.015 2.820 3.525) 4.627 19.773 ( -2.210 0.838 0.300) 2.383 19.827 ( -3.947 -1.667 2.541) 4.982 19.860 ( -4.604 -3.277 -0.386) 5.664 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.44 0.40 0.43) 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 16.588 2.211 -0.217) 16.736 1.568 ( 14.732 -2.752 -4.645) 15.690 1.930 ( -22.447 -0.254 -2.694) 22.610 1.942 ( -19.665 -0.858 -3.461) 19.986 2.180 ( 3.705 7.885 2.836) 9.162 2.232 ( -1.161 4.940 1.865) 5.406 2.244 ( 1.759 3.587 -2.461) 4.693 2.285 ( -2.613 0.955 -2.582) 3.796 2.864 ( 7.425 2.003 2.058) 7.962 2.892 ( 4.286 1.239 3.156) 5.465 2.919 ( 2.778 -0.507 -0.648) 2.898 2.930 ( 3.631 -0.448 -1.961) 4.151 3.067 ( -5.928 1.070 -0.407) 6.037 3.074 ( -6.424 -0.547 -0.682) 6.483 3.117 ( -7.548 -2.788 1.442) 8.174 3.142 ( -7.855 -3.964 -0.957) 8.850 3.471 ( 1.962 6.511 4.904) 8.384 3.534 ( -3.261 5.956 1.928) 7.058 3.549 ( 2.179 1.249 -2.622) 3.631 3.620 ( -4.221 -0.503 -5.523) 6.970 3.885 ( 5.864 -2.279 -1.037) 6.377 3.921 ( 3.389 -3.431 -3.875) 6.186 4.028 ( -1.863 -8.054 -1.118) 8.342 4.050 ( -2.712 -8.434 -2.907) 9.324 4.405 ( 6.236 3.717 6.492) 9.739 4.438 ( 5.261 2.298 5.196) 7.743 4.550 ( 0.243 -2.548 7.359) 7.791 4.588 ( 1.238 -3.403 4.326) 5.642 4.653 ( 2.393 0.492 2.296) 3.353 4.700 ( 0.751 0.456 -4.068) 4.162 4.730 ( 0.839 -1.807 -5.165) 5.536 4.793 ( -2.155 -4.296 -6.288) 7.914 5.085 ( 6.031 2.533 -0.354) 6.551 5.111 ( 5.666 0.033 -2.522) 6.202 5.143 ( -1.863 2.987 0.033) 3.521 5.164 ( -1.532 0.924 -1.471) 2.316 5.602 ( 27.538 1.871 3.051) 27.770 5.636 ( 25.983 -1.528 0.396) 26.031 5.922 ( -2.621 0.840 -1.158) 2.986 5.932 ( -3.346 -0.110 -1.576) 3.700 6.147 ( 8.606 0.533 -0.982) 8.678 6.160 ( 10.336 -0.719 -2.381) 10.631 6.572 ( -32.199 0.153 -2.812) 32.322 6.586 ( -31.420 -1.263 -4.005) 31.700 7.080 ( 12.619 3.938 1.539) 13.309 7.087 ( 12.411 3.292 0.852) 12.868 7.399 ( -14.519 -1.060 2.602) 14.788 7.405 ( -14.643 -1.550 2.009) 14.861 9.028 ( 17.682 -0.154 0.358) 17.686 9.029 ( 17.647 -0.333 0.131) 17.650 9.340 ( -14.386 -0.656 1.252) 14.455 9.345 ( -14.488 -1.134 0.739) 14.552 13.027 ( 19.418 3.206 1.363) 19.728 13.056 ( 18.869 0.582 -1.538) 18.941 13.217 ( 10.322 -1.120 0.656) 10.403 13.228 ( 11.340 -1.824 -0.381) 11.492 14.172 ( 5.677 3.303 2.743) 7.118 14.226 ( 3.347 -2.154 -2.514) 4.708 14.557 ( -26.708 1.125 0.829) 26.745 14.575 ( -25.727 -0.728 -0.958) 25.756 15.722 ( 29.107 2.958 0.002) 29.257 15.772 ( 27.226 -1.964 -4.794) 27.714 16.048 ( -3.498 0.742 0.418) 3.600 16.059 ( -2.688 -0.246 -0.613) 2.768 16.307 ( -0.088 0.956 0.371) 1.030 16.320 ( 0.099 0.038 -0.877) 0.884 16.471 ( -14.983 -0.619 0.126) 14.996 16.497 ( -15.568 -3.005 -2.491) 16.050 19.735 ( 0.821 1.083 2.006) 2.423 19.749 ( -0.256 0.506 0.697) 0.899 19.769 ( -1.889 -0.844 1.986) 2.867 19.785 ( -2.954 -1.606 0.453) 3.393 =================== 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 3/22680 10.0 218.091 288.045 202.411 0.000 0.000 -0.000 3/22680 20.0 59.780 64.775 36.157 0.000 0.000 -0.000 3/22680 30.0 25.640 24.974 13.699 0.000 0.000 -0.000 3/22680 40.0 14.511 13.385 7.464 0.000 0.000 -0.000 3/22680 50.0 9.898 8.709 4.966 0.000 0.000 -0.000 3/22680 60.0 7.560 6.360 3.706 0.000 0.000 -0.000 3/22680 70.0 6.202 4.993 2.966 0.000 0.000 -0.000 3/22680 80.0 5.336 4.111 2.483 0.000 0.000 -0.000 3/22680 90.0 4.744 3.500 2.145 0.000 0.000 -0.000 3/22680 100.0 4.316 3.052 1.895 0.000 0.000 -0.000 3/22680 110.0 3.991 2.710 1.703 0.000 0.000 -0.000 3/22680 120.0 3.735 2.441 1.550 0.000 0.000 -0.000 3/22680 130.0 3.525 2.223 1.427 0.000 0.000 -0.000 3/22680 140.0 3.349 2.044 1.325 0.000 0.000 -0.000 3/22680 150.0 3.196 1.893 1.239 0.000 0.000 -0.000 3/22680 160.0 3.062 1.765 1.166 0.000 0.000 -0.000 3/22680 170.0 2.942 1.655 1.103 0.000 0.000 -0.000 3/22680 180.0 2.832 1.558 1.048 0.000 0.000 -0.000 3/22680 190.0 2.732 1.473 0.999 0.000 0.000 -0.000 3/22680 200.0 2.639 1.398 0.956 0.000 0.000 -0.000 3/22680 210.0 2.553 1.331 0.917 0.000 0.000 -0.000 3/22680 220.0 2.472 1.270 0.882 0.000 0.000 -0.000 3/22680 230.0 2.396 1.215 0.850 0.000 0.000 -0.000 3/22680 240.0 2.325 1.165 0.821 0.000 0.000 -0.000 3/22680 250.0 2.258 1.120 0.794 0.000 0.000 -0.000 3/22680 260.0 2.194 1.078 0.769 0.000 0.000 -0.000 3/22680 270.0 2.133 1.039 0.746 0.000 0.000 -0.000 3/22680 280.0 2.076 1.003 0.725 0.000 0.000 -0.000 3/22680 290.0 2.021 0.970 0.705 0.000 0.000 -0.000 3/22680 300.0 1.969 0.939 0.686 0.000 0.000 -0.000 3/22680 310.0 1.920 0.910 0.668 0.000 0.000 -0.000 3/22680 320.0 1.872 0.883 0.651 0.000 0.000 -0.000 3/22680 330.0 1.827 0.857 0.635 0.000 0.000 -0.000 3/22680 340.0 1.784 0.833 0.620 0.000 0.000 -0.000 3/22680 350.0 1.742 0.810 0.605 0.000 0.000 -0.000 3/22680 360.0 1.703 0.789 0.592 0.000 0.000 -0.000 3/22680 370.0 1.665 0.769 0.579 0.000 0.000 -0.000 3/22680 380.0 1.628 0.749 0.566 0.000 0.000 -0.000 3/22680 390.0 1.593 0.731 0.554 0.000 0.000 -0.000 3/22680 400.0 1.560 0.714 0.543 0.000 0.000 -0.000 3/22680 410.0 1.527 0.697 0.532 0.000 0.000 -0.000 3/22680 420.0 1.496 0.681 0.521 0.000 0.000 -0.000 3/22680 430.0 1.466 0.666 0.511 0.000 0.000 -0.000 3/22680 440.0 1.438 0.652 0.502 0.000 0.000 -0.000 3/22680 450.0 1.410 0.638 0.492 0.000 0.000 -0.000 3/22680 460.0 1.383 0.625 0.483 0.000 0.000 -0.000 3/22680 470.0 1.357 0.612 0.475 0.000 0.000 -0.000 3/22680 480.0 1.332 0.600 0.466 0.000 0.000 -0.000 3/22680 490.0 1.308 0.588 0.458 0.000 0.000 -0.000 3/22680 500.0 1.285 0.577 0.450 0.000 0.000 -0.000 3/22680 510.0 1.263 0.566 0.443 0.000 0.000 -0.000 3/22680 520.0 1.241 0.556 0.436 0.000 0.000 -0.000 3/22680 530.0 1.220 0.546 0.428 0.000 0.000 -0.000 3/22680 540.0 1.200 0.536 0.422 0.000 0.000 -0.000 3/22680 550.0 1.180 0.527 0.415 0.000 0.000 -0.000 3/22680 560.0 1.161 0.518 0.409 0.000 0.000 -0.000 3/22680 570.0 1.142 0.509 0.402 0.000 0.000 -0.000 3/22680 580.0 1.124 0.501 0.396 0.000 0.000 -0.000 3/22680 590.0 1.107 0.493 0.390 0.000 0.000 -0.000 3/22680 600.0 1.090 0.485 0.385 0.000 0.000 -0.000 3/22680 610.0 1.074 0.477 0.379 0.000 0.000 -0.000 3/22680 620.0 1.058 0.470 0.374 0.000 0.000 -0.000 3/22680 630.0 1.042 0.463 0.369 0.000 0.000 -0.000 3/22680 640.0 1.027 0.456 0.363 0.000 0.000 -0.000 3/22680 650.0 1.013 0.449 0.358 0.000 0.000 -0.000 3/22680 660.0 0.998 0.442 0.354 0.000 0.000 -0.000 3/22680 670.0 0.985 0.436 0.349 0.000 0.000 -0.000 3/22680 680.0 0.971 0.430 0.344 0.000 0.000 -0.000 3/22680 690.0 0.958 0.424 0.340 0.000 0.000 -0.000 3/22680 700.0 0.945 0.418 0.336 0.000 0.000 -0.000 3/22680 710.0 0.933 0.412 0.331 0.000 0.000 -0.000 3/22680 720.0 0.921 0.407 0.327 0.000 0.000 -0.000 3/22680 730.0 0.909 0.401 0.323 0.000 0.000 -0.000 3/22680 740.0 0.897 0.396 0.319 0.000 0.000 -0.000 3/22680 750.0 0.886 0.391 0.315 0.000 0.000 -0.000 3/22680 760.0 0.875 0.386 0.312 0.000 0.000 -0.000 3/22680 770.0 0.864 0.381 0.308 0.000 0.000 -0.000 3/22680 780.0 0.854 0.376 0.304 0.000 0.000 -0.000 3/22680 790.0 0.844 0.372 0.301 0.000 0.000 -0.000 3/22680 800.0 0.834 0.367 0.297 0.000 0.000 -0.000 3/22680 810.0 0.824 0.363 0.294 0.000 0.000 -0.000 3/22680 820.0 0.814 0.359 0.291 0.000 0.000 -0.000 3/22680 830.0 0.805 0.354 0.288 0.000 0.000 -0.000 3/22680 840.0 0.796 0.350 0.284 0.000 0.000 -0.000 3/22680 850.0 0.787 0.346 0.281 0.000 0.000 -0.000 3/22680 860.0 0.778 0.342 0.278 0.000 0.000 -0.000 3/22680 870.0 0.770 0.339 0.275 0.000 0.000 -0.000 3/22680 880.0 0.761 0.335 0.273 0.000 0.000 -0.000 3/22680 890.0 0.753 0.331 0.270 0.000 0.000 -0.000 3/22680 900.0 0.745 0.328 0.267 0.000 0.000 -0.000 3/22680 910.0 0.737 0.324 0.264 0.000 0.000 -0.000 3/22680 920.0 0.730 0.321 0.262 0.000 0.000 -0.000 3/22680 930.0 0.722 0.317 0.259 0.000 0.000 -0.000 3/22680 940.0 0.715 0.314 0.256 0.000 0.000 -0.000 3/22680 950.0 0.708 0.311 0.254 0.000 0.000 -0.000 3/22680 960.0 0.700 0.308 0.251 0.000 0.000 -0.000 3/22680 970.0 0.693 0.305 0.249 0.000 0.000 -0.000 3/22680 980.0 0.687 0.302 0.247 0.000 0.000 -0.000 3/22680 990.0 0.680 0.299 0.244 0.000 0.000 -0.000 3/22680 1000.0 0.673 0.296 0.242 0.000 0.000 -0.000 3/22680 Thermal conductivity related properties were written into "kappa-m957.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:44:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|