----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.156544860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.958481489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814430880000000 Atomic positions (fractional): *1 Tb 0.60367219559226 0.25000000000000 0.96040172687961 158.925 2 Tb 0.39632780440774 0.75000000000000 0.03959827312039 158.925 3 Tb 0.10367219559226 0.25000000000000 0.53959827312039 158.925 4 Tb 0.89632780440774 0.75000000000000 0.46040172687961 158.925 *5 Se 0.29594478600643 0.75000000000000 0.63175278367490 78.960 6 Se 0.20405521399357 0.25000000000000 0.13175278367490 78.960 7 Se 0.79594478600643 0.75000000000000 0.86824721632510 78.960 8 Se 0.70405521399357 0.25000000000000 0.36824721632510 78.960 *9 Cl 0.55503115296747 0.75000000000000 0.32013423850904 35.453 10 Cl 0.05503115296747 0.75000000000000 0.17986576149096 35.453 11 Cl 0.44496884703253 0.25000000000000 0.67986576149096 35.453 12 Cl 0.94496884703253 0.25000000000000 0.82013423850904 35.453 *13 O 0.14464546727003 0.57226888438180 0.56590717334816 15.999 14 O 0.85535453272996 0.07226888438180 0.43409282665184 15.999 *15 O 0.25044542361445 0.25000000000000 0.31978446954140 15.999 16 O 0.14464546727003 0.92773111561820 0.56590717334816 15.999 17 O 0.35535453272996 0.42773111561820 0.06590717334816 15.999 18 O 0.64464546727004 0.92773111561820 0.93409282665184 15.999 19 O 0.74955457638555 0.75000000000000 0.68021553045860 15.999 20 O 0.75044542361445 0.25000000000000 0.18021553045860 15.999 21 O 0.85535453272996 0.42773111561820 0.43409282665184 15.999 22 O 0.35535453272996 0.07226888438180 0.06590717334816 15.999 23 O 0.24955457638555 0.75000000000000 0.81978446954140 15.999 24 O 0.64464546727004 0.57226888438180 0.93409282665184 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.156544860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.958481489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814430880000000 Atomic positions (fractional): *1 Tb 0.60367219559226 0.25000000000000 0.96040172687961 158.925 > 1 2 Tb 0.39632780440774 0.75000000000000 0.03959827312039 158.925 > 2 3 Tb 0.10367219559226 0.25000000000000 0.53959827312039 158.925 > 3 4 Tb 0.89632780440774 0.75000000000000 0.46040172687961 158.925 > 4 *5 Se 0.29594478600643 0.75000000000000 0.63175278367490 78.960 > 5 6 Se 0.20405521399357 0.25000000000000 0.13175278367490 78.960 > 6 7 Se 0.79594478600643 0.75000000000000 0.86824721632510 78.960 > 7 8 Se 0.70405521399357 0.25000000000000 0.36824721632510 78.960 > 8 *9 Cl 0.55503115296747 0.75000000000000 0.32013423850904 35.453 > 9 10 Cl 0.05503115296747 0.75000000000000 0.17986576149096 35.453 > 10 11 Cl 0.44496884703253 0.25000000000000 0.67986576149096 35.453 > 11 12 Cl 0.94496884703253 0.25000000000000 0.82013423850904 35.453 > 12 *13 O 0.14464546727003 0.57226888438180 0.56590717334816 15.999 > 13 14 O 0.85535453272996 0.07226888438180 0.43409282665184 15.999 > 14 *15 O 0.25044542361445 0.25000000000000 0.31978446954140 15.999 > 15 16 O 0.14464546727003 0.92773111561820 0.56590717334816 15.999 > 16 17 O 0.35535453272996 0.42773111561820 0.06590717334816 15.999 > 17 18 O 0.64464546727004 0.92773111561820 0.93409282665184 15.999 > 18 19 O 0.74955457638555 0.75000000000000 0.68021553045860 15.999 > 19 20 O 0.75044542361445 0.25000000000000 0.18021553045860 15.999 > 20 21 O 0.85535453272996 0.42773111561820 0.43409282665184 15.999 > 21 22 O 0.35535453272996 0.07226888438180 0.06590717334816 15.999 > 22 23 O 0.24955457638555 0.75000000000000 0.81978446954140 15.999 > 23 24 O 0.64464546727004 0.57226888438180 0.93409282665184 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.313089720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.916962979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814430880000000 Atomic positions (fractional): *1 Tb 0.30183609779613 0.12500000000000 0.96040172687961 158.925 > 1 2 Tb 0.80183609779613 0.12500000000000 0.96040172687961 158.925 > 1 3 Tb 0.30183609779613 0.62500000000000 0.96040172687961 158.925 > 1 4 Tb 0.80183609779613 0.62500000000000 0.96040172687961 158.925 > 1 5 Tb 0.19816390220387 0.37500000000000 0.03959827312039 158.925 > 2 6 Tb 0.69816390220387 0.37500000000000 0.03959827312039 158.925 > 2 7 Tb 0.19816390220387 0.87500000000000 0.03959827312039 158.925 > 2 8 Tb 0.69816390220387 0.87500000000000 0.03959827312039 158.925 > 2 9 Tb 0.05183609779613 0.12500000000000 0.53959827312039 158.925 > 3 10 Tb 0.55183609779613 0.12500000000000 0.53959827312039 158.925 > 3 11 Tb 0.05183609779613 0.62500000000000 0.53959827312039 158.925 > 3 12 Tb 0.55183609779613 0.62500000000000 0.53959827312039 158.925 > 3 13 Tb 0.44816390220387 0.37500000000000 0.46040172687961 158.925 > 4 14 Tb 0.94816390220387 0.37500000000000 0.46040172687961 158.925 > 4 15 Tb 0.44816390220387 0.87500000000000 0.46040172687961 158.925 > 4 16 Tb 0.94816390220387 0.87500000000000 0.46040172687961 158.925 > 4 *17 Se 0.14797239300322 0.37500000000000 0.63175278367490 78.960 > 5 18 Se 0.64797239300322 0.37500000000000 0.63175278367490 78.960 > 5 19 Se 0.14797239300322 0.87500000000000 0.63175278367490 78.960 > 5 20 Se 0.64797239300322 0.87500000000000 0.63175278367490 78.960 > 5 21 Se 0.10202760699678 0.12500000000000 0.13175278367490 78.960 > 6 22 Se 0.60202760699678 0.12500000000000 0.13175278367490 78.960 > 6 23 Se 0.10202760699678 0.62500000000000 0.13175278367490 78.960 > 6 24 Se 0.60202760699678 0.62500000000000 0.13175278367490 78.960 > 6 25 Se 0.39797239300322 0.37500000000000 0.86824721632510 78.960 > 7 26 Se 0.89797239300322 0.37500000000000 0.86824721632510 78.960 > 7 27 Se 0.39797239300322 0.87500000000000 0.86824721632510 78.960 > 7 28 Se 0.89797239300322 0.87500000000000 0.86824721632510 78.960 > 7 29 Se 0.35202760699678 0.12500000000000 0.36824721632510 78.960 > 8 30 Se 0.85202760699678 0.12500000000000 0.36824721632510 78.960 > 8 31 Se 0.35202760699678 0.62500000000000 0.36824721632510 78.960 > 8 32 Se 0.85202760699678 0.62500000000000 0.36824721632510 78.960 > 8 *33 Cl 0.27751557648373 0.37500000000000 0.32013423850904 35.453 > 9 34 Cl 0.77751557648373 0.37500000000000 0.32013423850904 35.453 > 9 35 Cl 0.27751557648373 0.87500000000000 0.32013423850904 35.453 > 9 36 Cl 0.77751557648373 0.87500000000000 0.32013423850904 35.453 > 9 37 Cl 0.02751557648373 0.37500000000000 0.17986576149096 35.453 > 10 38 Cl 0.52751557648373 0.37500000000000 0.17986576149096 35.453 > 10 39 Cl 0.02751557648373 0.87500000000000 0.17986576149096 35.453 > 10 40 Cl 0.52751557648373 0.87500000000000 0.17986576149096 35.453 > 10 41 Cl 0.22248442351627 0.12500000000000 0.67986576149096 35.453 > 11 42 Cl 0.72248442351627 0.12500000000000 0.67986576149096 35.453 > 11 43 Cl 0.22248442351627 0.62500000000000 0.67986576149096 35.453 > 11 44 Cl 0.72248442351627 0.62500000000000 0.67986576149096 35.453 > 11 45 Cl 0.47248442351627 0.12500000000000 0.82013423850904 35.453 > 12 46 Cl 0.97248442351627 0.12500000000000 0.82013423850904 35.453 > 12 47 Cl 0.47248442351627 0.62500000000000 0.82013423850904 35.453 > 12 48 Cl 0.97248442351627 0.62500000000000 0.82013423850904 35.453 > 12 *49 O 0.07232273363502 0.28613444219090 0.56590717334816 15.999 > 13 50 O 0.57232273363502 0.28613444219090 0.56590717334816 15.999 > 13 51 O 0.07232273363502 0.78613444219090 0.56590717334816 15.999 > 13 52 O 0.57232273363502 0.78613444219090 0.56590717334816 15.999 > 13 53 O 0.42767726636498 0.03613444219090 0.43409282665184 15.999 > 14 54 O 0.92767726636498 0.03613444219090 0.43409282665184 15.999 > 14 55 O 0.42767726636498 0.53613444219090 0.43409282665184 15.999 > 14 56 O 0.92767726636498 0.53613444219090 0.43409282665184 15.999 > 14 *57 O 0.12522271180723 0.12500000000000 0.31978446954140 15.999 > 15 58 O 0.62522271180723 0.12500000000000 0.31978446954140 15.999 > 15 59 O 0.12522271180723 0.62500000000000 0.31978446954140 15.999 > 15 60 O 0.62522271180723 0.62500000000000 0.31978446954140 15.999 > 15 61 O 0.07232273363502 0.46386555780910 0.56590717334816 15.999 > 16 62 O 0.57232273363502 0.46386555780910 0.56590717334816 15.999 > 16 63 O 0.07232273363502 0.96386555780910 0.56590717334816 15.999 > 16 64 O 0.57232273363502 0.96386555780910 0.56590717334816 15.999 > 16 65 O 0.17767726636498 0.21386555780910 0.06590717334816 15.999 > 17 66 O 0.67767726636498 0.21386555780910 0.06590717334816 15.999 > 17 67 O 0.17767726636498 0.71386555780910 0.06590717334816 15.999 > 17 68 O 0.67767726636498 0.71386555780910 0.06590717334816 15.999 > 17 69 O 0.32232273363502 0.46386555780910 0.93409282665184 15.999 > 18 70 O 0.82232273363502 0.46386555780910 0.93409282665184 15.999 > 18 71 O 0.32232273363502 0.96386555780910 0.93409282665184 15.999 > 18 72 O 0.82232273363502 0.96386555780910 0.93409282665184 15.999 > 18 73 O 0.37477728819277 0.37500000000000 0.68021553045860 15.999 > 19 74 O 0.87477728819277 0.37500000000000 0.68021553045860 15.999 > 19 75 O 0.37477728819277 0.87500000000000 0.68021553045860 15.999 > 19 76 O 0.87477728819277 0.87500000000000 0.68021553045860 15.999 > 19 77 O 0.37522271180723 0.12500000000000 0.18021553045860 15.999 > 20 78 O 0.87522271180723 0.12500000000000 0.18021553045860 15.999 > 20 79 O 0.37522271180723 0.62500000000000 0.18021553045860 15.999 > 20 80 O 0.87522271180723 0.62500000000000 0.18021553045860 15.999 > 20 81 O 0.42767726636498 0.21386555780910 0.43409282665184 15.999 > 21 82 O 0.92767726636498 0.21386555780910 0.43409282665184 15.999 > 21 83 O 0.42767726636498 0.71386555780910 0.43409282665184 15.999 > 21 84 O 0.92767726636498 0.71386555780910 0.43409282665184 15.999 > 21 85 O 0.17767726636498 0.03613444219090 0.06590717334816 15.999 > 22 86 O 0.67767726636498 0.03613444219090 0.06590717334816 15.999 > 22 87 O 0.17767726636498 0.53613444219090 0.06590717334816 15.999 > 22 88 O 0.67767726636498 0.53613444219090 0.06590717334816 15.999 > 22 89 O 0.12477728819277 0.37500000000000 0.81978446954140 15.999 > 23 90 O 0.62477728819277 0.37500000000000 0.81978446954140 15.999 > 23 91 O 0.12477728819277 0.87500000000000 0.81978446954140 15.999 > 23 92 O 0.62477728819277 0.87500000000000 0.81978446954140 15.999 > 23 93 O 0.32232273363502 0.28613444219090 0.93409282665184 15.999 > 24 94 O 0.82232273363502 0.28613444219090 0.93409282665184 15.999 > 24 95 O 0.32232273363502 0.78613444219090 0.93409282665184 15.999 > 24 96 O 0.82232273363502 0.78613444219090 0.93409282665184 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3053205 0.0000000 0.0000000 0.0000000 3.4820591 0.0000000 0.0000000 0.0000000 3.7648092 -------------------------- Born effective charges -------------------------- 1 Tb 3.8224009 0.0000000 0.2391098 0.0000000 4.2366414 0.0000000 0.0758895 0.0000000 4.4870683 2 Tb 3.8224009 0.0000000 0.2391098 0.0000000 4.2366414 0.0000000 0.0758895 0.0000000 4.4870683 3 Tb 3.8224009 0.0000000 -0.2391098 0.0000000 4.2366414 0.0000000 -0.0758895 0.0000000 4.4870683 4 Tb 3.8224009 0.0000000 -0.2391098 0.0000000 4.2366414 0.0000000 -0.0758895 0.0000000 4.4870683 5 Se 2.3058149 0.0000000 0.7083497 0.0000000 3.0302926 0.0000000 0.5301041 0.0000000 3.5861837 6 Se 2.3058149 0.0000000 -0.7083497 0.0000000 3.0302926 0.0000000 -0.5301041 0.0000000 3.5861837 7 Se 2.3058149 0.0000000 -0.7083497 0.0000000 3.0302926 0.0000000 -0.5301041 0.0000000 3.5861837 8 Se 2.3058149 0.0000000 0.7083497 0.0000000 3.0302926 0.0000000 0.5301041 0.0000000 3.5861837 9 Cl -1.4854124 0.0000000 -0.5395316 0.0000000 -0.7786417 0.0000000 -0.5864194 0.0000000 -1.6818027 10 Cl -1.4854124 0.0000000 0.5395316 0.0000000 -0.7786417 0.0000000 0.5864194 0.0000000 -1.6818027 11 Cl -1.4854124 0.0000000 -0.5395316 0.0000000 -0.7786417 0.0000000 -0.5864194 0.0000000 -1.6818027 12 Cl -1.4854124 0.0000000 0.5395316 0.0000000 -0.7786417 0.0000000 0.5864194 0.0000000 -1.6818027 13 O -1.7516947 -0.2405712 -0.4122021 -0.7867976 -2.8523678 -0.3237472 -0.8599275 -0.5500992 -1.2919756 14 O -1.7516947 0.2405712 -0.4122021 0.7867976 -2.8523678 0.3237472 -0.8599275 0.5500992 -1.2919756 15 O -1.1394141 0.0000000 0.9703599 0.0000000 -0.7835566 0.0000000 0.1020957 0.0000000 -3.8074981 16 O -1.7516947 0.2405712 -0.4122021 0.7867976 -2.8523678 0.3237472 -0.8599275 0.5500992 -1.2919756 17 O -1.7516947 -0.2405712 0.4122021 -0.7867976 -2.8523678 0.3237472 0.8599275 0.5500992 -1.2919756 18 O -1.7516947 0.2405712 0.4122021 0.7867976 -2.8523678 -0.3237472 0.8599275 -0.5500992 -1.2919756 19 O -1.1394141 0.0000000 0.9703599 0.0000000 -0.7835566 0.0000000 0.1020957 0.0000000 -3.8074981 20 O -1.1394141 0.0000000 -0.9703599 0.0000000 -0.7835566 0.0000000 -0.1020957 0.0000000 -3.8074981 21 O -1.7516947 -0.2405712 -0.4122021 -0.7867976 -2.8523678 -0.3237472 -0.8599275 -0.5500992 -1.2919756 22 O -1.7516947 0.2405712 0.4122021 0.7867976 -2.8523678 -0.3237472 0.8599275 -0.5500992 -1.2919756 23 O -1.1394141 0.0000000 -0.9703599 0.0000000 -0.7835566 0.0000000 -0.1020957 0.0000000 -3.8074981 24 O -1.7516947 -0.2405712 0.4122021 -0.7867976 -2.8523678 0.3237472 0.8599275 0.5500992 -1.2919756 ---------------------------------------------------------------------------- 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: 1400 Number of blocks in projector: 1400 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.529 Solver_block: 200 / 400 - Time: 1.534 Solver_block: 300 / 400 - Time: 1.536 Solver_block: 400 / 400 - Time: 1.531 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.159 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 1400 Number of blocks in projector: 1400 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), 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 11:31:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:31:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.156544860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.958481489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814430880000000 Atomic positions (fractional): 1 Tb 0.60367219559226 0.25000000000000 0.96040172687961 158.925 2 Tb 0.39632780440774 0.75000000000000 0.03959827312039 158.925 3 Tb 0.10367219559226 0.25000000000000 0.53959827312039 158.925 4 Tb 0.89632780440774 0.75000000000000 0.46040172687961 158.925 5 Se 0.29594478600643 0.75000000000000 0.63175278367490 78.960 6 Se 0.20405521399357 0.25000000000000 0.13175278367490 78.960 7 Se 0.79594478600643 0.75000000000000 0.86824721632510 78.960 8 Se 0.70405521399357 0.25000000000000 0.36824721632510 78.960 9 Cl 0.55503115296747 0.75000000000000 0.32013423850904 35.453 10 Cl 0.05503115296747 0.75000000000000 0.17986576149096 35.453 11 Cl 0.44496884703253 0.25000000000000 0.67986576149096 35.453 12 Cl 0.94496884703253 0.25000000000000 0.82013423850904 35.453 13 O 0.14464546727003 0.57226888438180 0.56590717334816 15.999 14 O 0.85535453272996 0.07226888438180 0.43409282665184 15.999 15 O 0.25044542361445 0.25000000000000 0.31978446954140 15.999 16 O 0.14464546727003 0.92773111561820 0.56590717334816 15.999 17 O 0.35535453272996 0.42773111561820 0.06590717334816 15.999 18 O 0.64464546727004 0.92773111561820 0.93409282665184 15.999 19 O 0.74955457638555 0.75000000000000 0.68021553045860 15.999 20 O 0.75044542361445 0.25000000000000 0.18021553045860 15.999 21 O 0.85535453272996 0.42773111561820 0.43409282665184 15.999 22 O 0.35535453272996 0.07226888438180 0.06590717334816 15.999 23 O 0.24955457638555 0.75000000000000 0.81978446954140 15.999 24 O 0.64464546727004 0.57226888438180 0.93409282665184 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.313089720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.916962979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814430880000000 Atomic positions (fractional): 1 Tb 0.30183609779613 0.12500000000000 0.96040172687961 158.925 > 1 2 Tb 0.80183609779613 0.12500000000000 0.96040172687961 158.925 > 1 3 Tb 0.30183609779613 0.62500000000000 0.96040172687961 158.925 > 1 4 Tb 0.80183609779613 0.62500000000000 0.96040172687961 158.925 > 1 5 Tb 0.19816390220387 0.37500000000000 0.03959827312039 158.925 > 5 6 Tb 0.69816390220387 0.37500000000000 0.03959827312039 158.925 > 5 7 Tb 0.19816390220387 0.87500000000000 0.03959827312039 158.925 > 5 8 Tb 0.69816390220387 0.87500000000000 0.03959827312039 158.925 > 5 9 Tb 0.05183609779613 0.12500000000000 0.53959827312039 158.925 > 9 10 Tb 0.55183609779613 0.12500000000000 0.53959827312039 158.925 > 9 11 Tb 0.05183609779613 0.62500000000000 0.53959827312039 158.925 > 9 12 Tb 0.55183609779613 0.62500000000000 0.53959827312039 158.925 > 9 13 Tb 0.44816390220387 0.37500000000000 0.46040172687961 158.925 > 13 14 Tb 0.94816390220387 0.37500000000000 0.46040172687961 158.925 > 13 15 Tb 0.44816390220387 0.87500000000000 0.46040172687961 158.925 > 13 16 Tb 0.94816390220387 0.87500000000000 0.46040172687961 158.925 > 13 17 Se 0.14797239300322 0.37500000000000 0.63175278367490 78.960 > 17 18 Se 0.64797239300322 0.37500000000000 0.63175278367490 78.960 > 17 19 Se 0.14797239300322 0.87500000000000 0.63175278367490 78.960 > 17 20 Se 0.64797239300322 0.87500000000000 0.63175278367490 78.960 > 17 21 Se 0.10202760699678 0.12500000000000 0.13175278367490 78.960 > 21 22 Se 0.60202760699678 0.12500000000000 0.13175278367490 78.960 > 21 23 Se 0.10202760699678 0.62500000000000 0.13175278367490 78.960 > 21 24 Se 0.60202760699678 0.62500000000000 0.13175278367490 78.960 > 21 25 Se 0.39797239300322 0.37500000000000 0.86824721632510 78.960 > 25 26 Se 0.89797239300322 0.37500000000000 0.86824721632510 78.960 > 25 27 Se 0.39797239300322 0.87500000000000 0.86824721632510 78.960 > 25 28 Se 0.89797239300322 0.87500000000000 0.86824721632510 78.960 > 25 29 Se 0.35202760699678 0.12500000000000 0.36824721632510 78.960 > 29 30 Se 0.85202760699678 0.12500000000000 0.36824721632510 78.960 > 29 31 Se 0.35202760699678 0.62500000000000 0.36824721632510 78.960 > 29 32 Se 0.85202760699678 0.62500000000000 0.36824721632510 78.960 > 29 33 Cl 0.27751557648373 0.37500000000000 0.32013423850904 35.453 > 33 34 Cl 0.77751557648373 0.37500000000000 0.32013423850904 35.453 > 33 35 Cl 0.27751557648373 0.87500000000000 0.32013423850904 35.453 > 33 36 Cl 0.77751557648373 0.87500000000000 0.32013423850904 35.453 > 33 37 Cl 0.02751557648373 0.37500000000000 0.17986576149096 35.453 > 37 38 Cl 0.52751557648373 0.37500000000000 0.17986576149096 35.453 > 37 39 Cl 0.02751557648373 0.87500000000000 0.17986576149096 35.453 > 37 40 Cl 0.52751557648373 0.87500000000000 0.17986576149096 35.453 > 37 41 Cl 0.22248442351627 0.12500000000000 0.67986576149096 35.453 > 41 42 Cl 0.72248442351627 0.12500000000000 0.67986576149096 35.453 > 41 43 Cl 0.22248442351627 0.62500000000000 0.67986576149096 35.453 > 41 44 Cl 0.72248442351627 0.62500000000000 0.67986576149096 35.453 > 41 45 Cl 0.47248442351627 0.12500000000000 0.82013423850904 35.453 > 45 46 Cl 0.97248442351627 0.12500000000000 0.82013423850904 35.453 > 45 47 Cl 0.47248442351627 0.62500000000000 0.82013423850904 35.453 > 45 48 Cl 0.97248442351627 0.62500000000000 0.82013423850904 35.453 > 45 49 O 0.07232273363502 0.28613444219090 0.56590717334816 15.999 > 49 50 O 0.57232273363502 0.28613444219090 0.56590717334816 15.999 > 49 51 O 0.07232273363502 0.78613444219090 0.56590717334816 15.999 > 49 52 O 0.57232273363502 0.78613444219090 0.56590717334816 15.999 > 49 53 O 0.42767726636498 0.03613444219090 0.43409282665184 15.999 > 53 54 O 0.92767726636498 0.03613444219090 0.43409282665184 15.999 > 53 55 O 0.42767726636498 0.53613444219090 0.43409282665184 15.999 > 53 56 O 0.92767726636498 0.53613444219090 0.43409282665184 15.999 > 53 57 O 0.12522271180723 0.12500000000000 0.31978446954140 15.999 > 57 58 O 0.62522271180723 0.12500000000000 0.31978446954140 15.999 > 57 59 O 0.12522271180723 0.62500000000000 0.31978446954140 15.999 > 57 60 O 0.62522271180723 0.62500000000000 0.31978446954140 15.999 > 57 61 O 0.07232273363502 0.46386555780910 0.56590717334816 15.999 > 61 62 O 0.57232273363502 0.46386555780910 0.56590717334816 15.999 > 61 63 O 0.07232273363502 0.96386555780910 0.56590717334816 15.999 > 61 64 O 0.57232273363502 0.96386555780910 0.56590717334816 15.999 > 61 65 O 0.17767726636498 0.21386555780910 0.06590717334816 15.999 > 65 66 O 0.67767726636498 0.21386555780910 0.06590717334816 15.999 > 65 67 O 0.17767726636498 0.71386555780910 0.06590717334816 15.999 > 65 68 O 0.67767726636498 0.71386555780910 0.06590717334816 15.999 > 65 69 O 0.32232273363502 0.46386555780910 0.93409282665184 15.999 > 69 70 O 0.82232273363502 0.46386555780910 0.93409282665184 15.999 > 69 71 O 0.32232273363502 0.96386555780910 0.93409282665184 15.999 > 69 72 O 0.82232273363502 0.96386555780910 0.93409282665184 15.999 > 69 73 O 0.37477728819277 0.37500000000000 0.68021553045860 15.999 > 73 74 O 0.87477728819277 0.37500000000000 0.68021553045860 15.999 > 73 75 O 0.37477728819277 0.87500000000000 0.68021553045860 15.999 > 73 76 O 0.87477728819277 0.87500000000000 0.68021553045860 15.999 > 73 77 O 0.37522271180723 0.12500000000000 0.18021553045860 15.999 > 77 78 O 0.87522271180723 0.12500000000000 0.18021553045860 15.999 > 77 79 O 0.37522271180723 0.62500000000000 0.18021553045860 15.999 > 77 80 O 0.87522271180723 0.62500000000000 0.18021553045860 15.999 > 77 81 O 0.42767726636498 0.21386555780910 0.43409282665184 15.999 > 81 82 O 0.92767726636498 0.21386555780910 0.43409282665184 15.999 > 81 83 O 0.42767726636498 0.71386555780910 0.43409282665184 15.999 > 81 84 O 0.92767726636498 0.71386555780910 0.43409282665184 15.999 > 81 85 O 0.17767726636498 0.03613444219090 0.06590717334816 15.999 > 85 86 O 0.67767726636498 0.03613444219090 0.06590717334816 15.999 > 85 87 O 0.17767726636498 0.53613444219090 0.06590717334816 15.999 > 85 88 O 0.67767726636498 0.53613444219090 0.06590717334816 15.999 > 85 89 O 0.12477728819277 0.37500000000000 0.81978446954140 15.999 > 89 90 O 0.62477728819277 0.37500000000000 0.81978446954140 15.999 > 89 91 O 0.12477728819277 0.87500000000000 0.81978446954140 15.999 > 89 92 O 0.62477728819277 0.87500000000000 0.81978446954140 15.999 > 89 93 O 0.32232273363502 0.28613444219090 0.93409282665184 15.999 > 93 94 O 0.82232273363502 0.28613444219090 0.93409282665184 15.999 > 93 95 O 0.32232273363502 0.78613444219090 0.93409282665184 15.999 > 93 96 O 0.82232273363502 0.78613444219090 0.93409282665184 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3053205 0.0000000 0.0000000 0.0000000 3.4820591 0.0000000 0.0000000 0.0000000 3.7648092 -------------------------- Born effective charges -------------------------- 1 Tb 3.8224009 0.0000000 0.2391098 0.0000000 4.2366414 0.0000000 0.0758895 0.0000000 4.4870683 2 Tb 3.8224009 0.0000000 0.2391098 0.0000000 4.2366414 0.0000000 0.0758895 0.0000000 4.4870683 3 Tb 3.8224009 0.0000000 -0.2391098 0.0000000 4.2366414 0.0000000 -0.0758895 0.0000000 4.4870683 4 Tb 3.8224009 0.0000000 -0.2391098 0.0000000 4.2366414 0.0000000 -0.0758895 0.0000000 4.4870683 5 Se 2.3058149 0.0000000 0.7083497 0.0000000 3.0302926 0.0000000 0.5301041 0.0000000 3.5861837 6 Se 2.3058149 0.0000000 -0.7083497 0.0000000 3.0302926 0.0000000 -0.5301041 0.0000000 3.5861837 7 Se 2.3058149 0.0000000 -0.7083497 0.0000000 3.0302926 0.0000000 -0.5301041 0.0000000 3.5861837 8 Se 2.3058149 0.0000000 0.7083497 0.0000000 3.0302926 0.0000000 0.5301041 0.0000000 3.5861837 9 Cl -1.4854124 0.0000000 -0.5395316 0.0000000 -0.7786417 0.0000000 -0.5864194 0.0000000 -1.6818027 10 Cl -1.4854124 0.0000000 0.5395316 0.0000000 -0.7786417 0.0000000 0.5864194 0.0000000 -1.6818027 11 Cl -1.4854124 0.0000000 -0.5395316 0.0000000 -0.7786417 0.0000000 -0.5864194 0.0000000 -1.6818027 12 Cl -1.4854124 0.0000000 0.5395316 0.0000000 -0.7786417 0.0000000 0.5864194 0.0000000 -1.6818027 13 O -1.7516947 -0.2405712 -0.4122021 -0.7867976 -2.8523678 -0.3237472 -0.8599275 -0.5500992 -1.2919756 14 O -1.7516947 0.2405712 -0.4122021 0.7867976 -2.8523678 0.3237472 -0.8599275 0.5500992 -1.2919756 15 O -1.1394141 0.0000000 0.9703599 0.0000000 -0.7835566 0.0000000 0.1020957 0.0000000 -3.8074981 16 O -1.7516947 0.2405712 -0.4122021 0.7867976 -2.8523678 0.3237472 -0.8599275 0.5500992 -1.2919756 17 O -1.7516947 -0.2405712 0.4122021 -0.7867976 -2.8523678 0.3237472 0.8599275 0.5500992 -1.2919756 18 O -1.7516947 0.2405712 0.4122021 0.7867976 -2.8523678 -0.3237472 0.8599275 -0.5500992 -1.2919756 19 O -1.1394141 0.0000000 0.9703599 0.0000000 -0.7835566 0.0000000 0.1020957 0.0000000 -3.8074981 20 O -1.1394141 0.0000000 -0.9703599 0.0000000 -0.7835566 0.0000000 -0.1020957 0.0000000 -3.8074981 21 O -1.7516947 -0.2405712 -0.4122021 -0.7867976 -2.8523678 -0.3237472 -0.8599275 -0.5500992 -1.2919756 22 O -1.7516947 0.2405712 0.4122021 0.7867976 -2.8523678 -0.3237472 0.8599275 -0.5500992 -1.2919756 23 O -1.1394141 0.0000000 -0.9703599 0.0000000 -0.7835566 0.0000000 -0.1020957 0.0000000 -3.8074981 24 O -1.7516947 -0.2405712 0.4122021 -0.7867976 -2.8523678 0.3237472 0.8599275 0.5500992 -1.2919756 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) 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 11:31:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:31:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.156544860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.958481489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814430880000000 Atomic positions (fractional): 1 Tb 0.60367219559226 0.25000000000000 0.96040172687961 158.925 2 Tb 0.39632780440774 0.75000000000000 0.03959827312039 158.925 3 Tb 0.10367219559226 0.25000000000000 0.53959827312039 158.925 4 Tb 0.89632780440774 0.75000000000000 0.46040172687961 158.925 5 Se 0.29594478600643 0.75000000000000 0.63175278367490 78.960 6 Se 0.20405521399357 0.25000000000000 0.13175278367490 78.960 7 Se 0.79594478600643 0.75000000000000 0.86824721632510 78.960 8 Se 0.70405521399357 0.25000000000000 0.36824721632510 78.960 9 Cl 0.55503115296747 0.75000000000000 0.32013423850904 35.453 10 Cl 0.05503115296747 0.75000000000000 0.17986576149096 35.453 11 Cl 0.44496884703253 0.25000000000000 0.67986576149096 35.453 12 Cl 0.94496884703253 0.25000000000000 0.82013423850904 35.453 13 O 0.14464546727003 0.57226888438180 0.56590717334816 15.999 14 O 0.85535453272996 0.07226888438180 0.43409282665184 15.999 15 O 0.25044542361445 0.25000000000000 0.31978446954140 15.999 16 O 0.14464546727003 0.92773111561820 0.56590717334816 15.999 17 O 0.35535453272996 0.42773111561820 0.06590717334816 15.999 18 O 0.64464546727004 0.92773111561820 0.93409282665184 15.999 19 O 0.74955457638555 0.75000000000000 0.68021553045860 15.999 20 O 0.75044542361445 0.25000000000000 0.18021553045860 15.999 21 O 0.85535453272996 0.42773111561820 0.43409282665184 15.999 22 O 0.35535453272996 0.07226888438180 0.06590717334816 15.999 23 O 0.24955457638555 0.75000000000000 0.81978446954140 15.999 24 O 0.64464546727004 0.57226888438180 0.93409282665184 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.313089720000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.916962979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814430880000000 Atomic positions (fractional): 1 Tb 0.30183609779613 0.12500000000000 0.96040172687961 158.925 > 1 2 Tb 0.80183609779613 0.12500000000000 0.96040172687961 158.925 > 1 3 Tb 0.30183609779613 0.62500000000000 0.96040172687961 158.925 > 1 4 Tb 0.80183609779613 0.62500000000000 0.96040172687961 158.925 > 1 5 Tb 0.19816390220387 0.37500000000000 0.03959827312039 158.925 > 5 6 Tb 0.69816390220387 0.37500000000000 0.03959827312039 158.925 > 5 7 Tb 0.19816390220387 0.87500000000000 0.03959827312039 158.925 > 5 8 Tb 0.69816390220387 0.87500000000000 0.03959827312039 158.925 > 5 9 Tb 0.05183609779613 0.12500000000000 0.53959827312039 158.925 > 9 10 Tb 0.55183609779613 0.12500000000000 0.53959827312039 158.925 > 9 11 Tb 0.05183609779613 0.62500000000000 0.53959827312039 158.925 > 9 12 Tb 0.55183609779613 0.62500000000000 0.53959827312039 158.925 > 9 13 Tb 0.44816390220387 0.37500000000000 0.46040172687961 158.925 > 13 14 Tb 0.94816390220387 0.37500000000000 0.46040172687961 158.925 > 13 15 Tb 0.44816390220387 0.87500000000000 0.46040172687961 158.925 > 13 16 Tb 0.94816390220387 0.87500000000000 0.46040172687961 158.925 > 13 17 Se 0.14797239300322 0.37500000000000 0.63175278367490 78.960 > 17 18 Se 0.64797239300322 0.37500000000000 0.63175278367490 78.960 > 17 19 Se 0.14797239300322 0.87500000000000 0.63175278367490 78.960 > 17 20 Se 0.64797239300322 0.87500000000000 0.63175278367490 78.960 > 17 21 Se 0.10202760699678 0.12500000000000 0.13175278367490 78.960 > 21 22 Se 0.60202760699678 0.12500000000000 0.13175278367490 78.960 > 21 23 Se 0.10202760699678 0.62500000000000 0.13175278367490 78.960 > 21 24 Se 0.60202760699678 0.62500000000000 0.13175278367490 78.960 > 21 25 Se 0.39797239300322 0.37500000000000 0.86824721632510 78.960 > 25 26 Se 0.89797239300322 0.37500000000000 0.86824721632510 78.960 > 25 27 Se 0.39797239300322 0.87500000000000 0.86824721632510 78.960 > 25 28 Se 0.89797239300322 0.87500000000000 0.86824721632510 78.960 > 25 29 Se 0.35202760699678 0.12500000000000 0.36824721632510 78.960 > 29 30 Se 0.85202760699678 0.12500000000000 0.36824721632510 78.960 > 29 31 Se 0.35202760699678 0.62500000000000 0.36824721632510 78.960 > 29 32 Se 0.85202760699678 0.62500000000000 0.36824721632510 78.960 > 29 33 Cl 0.27751557648373 0.37500000000000 0.32013423850904 35.453 > 33 34 Cl 0.77751557648373 0.37500000000000 0.32013423850904 35.453 > 33 35 Cl 0.27751557648373 0.87500000000000 0.32013423850904 35.453 > 33 36 Cl 0.77751557648373 0.87500000000000 0.32013423850904 35.453 > 33 37 Cl 0.02751557648373 0.37500000000000 0.17986576149096 35.453 > 37 38 Cl 0.52751557648373 0.37500000000000 0.17986576149096 35.453 > 37 39 Cl 0.02751557648373 0.87500000000000 0.17986576149096 35.453 > 37 40 Cl 0.52751557648373 0.87500000000000 0.17986576149096 35.453 > 37 41 Cl 0.22248442351627 0.12500000000000 0.67986576149096 35.453 > 41 42 Cl 0.72248442351627 0.12500000000000 0.67986576149096 35.453 > 41 43 Cl 0.22248442351627 0.62500000000000 0.67986576149096 35.453 > 41 44 Cl 0.72248442351627 0.62500000000000 0.67986576149096 35.453 > 41 45 Cl 0.47248442351627 0.12500000000000 0.82013423850904 35.453 > 45 46 Cl 0.97248442351627 0.12500000000000 0.82013423850904 35.453 > 45 47 Cl 0.47248442351627 0.62500000000000 0.82013423850904 35.453 > 45 48 Cl 0.97248442351627 0.62500000000000 0.82013423850904 35.453 > 45 49 O 0.07232273363502 0.28613444219090 0.56590717334816 15.999 > 49 50 O 0.57232273363502 0.28613444219090 0.56590717334816 15.999 > 49 51 O 0.07232273363502 0.78613444219090 0.56590717334816 15.999 > 49 52 O 0.57232273363502 0.78613444219090 0.56590717334816 15.999 > 49 53 O 0.42767726636498 0.03613444219090 0.43409282665184 15.999 > 53 54 O 0.92767726636498 0.03613444219090 0.43409282665184 15.999 > 53 55 O 0.42767726636498 0.53613444219090 0.43409282665184 15.999 > 53 56 O 0.92767726636498 0.53613444219090 0.43409282665184 15.999 > 53 57 O 0.12522271180723 0.12500000000000 0.31978446954140 15.999 > 57 58 O 0.62522271180723 0.12500000000000 0.31978446954140 15.999 > 57 59 O 0.12522271180723 0.62500000000000 0.31978446954140 15.999 > 57 60 O 0.62522271180723 0.62500000000000 0.31978446954140 15.999 > 57 61 O 0.07232273363502 0.46386555780910 0.56590717334816 15.999 > 61 62 O 0.57232273363502 0.46386555780910 0.56590717334816 15.999 > 61 63 O 0.07232273363502 0.96386555780910 0.56590717334816 15.999 > 61 64 O 0.57232273363502 0.96386555780910 0.56590717334816 15.999 > 61 65 O 0.17767726636498 0.21386555780910 0.06590717334816 15.999 > 65 66 O 0.67767726636498 0.21386555780910 0.06590717334816 15.999 > 65 67 O 0.17767726636498 0.71386555780910 0.06590717334816 15.999 > 65 68 O 0.67767726636498 0.71386555780910 0.06590717334816 15.999 > 65 69 O 0.32232273363502 0.46386555780910 0.93409282665184 15.999 > 69 70 O 0.82232273363502 0.46386555780910 0.93409282665184 15.999 > 69 71 O 0.32232273363502 0.96386555780910 0.93409282665184 15.999 > 69 72 O 0.82232273363502 0.96386555780910 0.93409282665184 15.999 > 69 73 O 0.37477728819277 0.37500000000000 0.68021553045860 15.999 > 73 74 O 0.87477728819277 0.37500000000000 0.68021553045860 15.999 > 73 75 O 0.37477728819277 0.87500000000000 0.68021553045860 15.999 > 73 76 O 0.87477728819277 0.87500000000000 0.68021553045860 15.999 > 73 77 O 0.37522271180723 0.12500000000000 0.18021553045860 15.999 > 77 78 O 0.87522271180723 0.12500000000000 0.18021553045860 15.999 > 77 79 O 0.37522271180723 0.62500000000000 0.18021553045860 15.999 > 77 80 O 0.87522271180723 0.62500000000000 0.18021553045860 15.999 > 77 81 O 0.42767726636498 0.21386555780910 0.43409282665184 15.999 > 81 82 O 0.92767726636498 0.21386555780910 0.43409282665184 15.999 > 81 83 O 0.42767726636498 0.71386555780910 0.43409282665184 15.999 > 81 84 O 0.92767726636498 0.71386555780910 0.43409282665184 15.999 > 81 85 O 0.17767726636498 0.03613444219090 0.06590717334816 15.999 > 85 86 O 0.67767726636498 0.03613444219090 0.06590717334816 15.999 > 85 87 O 0.17767726636498 0.53613444219090 0.06590717334816 15.999 > 85 88 O 0.67767726636498 0.53613444219090 0.06590717334816 15.999 > 85 89 O 0.12477728819277 0.37500000000000 0.81978446954140 15.999 > 89 90 O 0.62477728819277 0.37500000000000 0.81978446954140 15.999 > 89 91 O 0.12477728819277 0.87500000000000 0.81978446954140 15.999 > 89 92 O 0.62477728819277 0.87500000000000 0.81978446954140 15.999 > 89 93 O 0.32232273363502 0.28613444219090 0.93409282665184 15.999 > 93 94 O 0.82232273363502 0.28613444219090 0.93409282665184 15.999 > 93 95 O 0.32232273363502 0.78613444219090 0.93409282665184 15.999 > 93 96 O 0.82232273363502 0.78613444219090 0.93409282665184 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3053205 0.0000000 0.0000000 0.0000000 3.4820591 0.0000000 0.0000000 0.0000000 3.7648092 -------------------------- Born effective charges -------------------------- 1 Tb 3.8224009 0.0000000 0.2391098 0.0000000 4.2366414 0.0000000 0.0758895 0.0000000 4.4870683 2 Tb 3.8224009 0.0000000 0.2391098 0.0000000 4.2366414 0.0000000 0.0758895 0.0000000 4.4870683 3 Tb 3.8224009 0.0000000 -0.2391098 0.0000000 4.2366414 0.0000000 -0.0758895 0.0000000 4.4870683 4 Tb 3.8224009 0.0000000 -0.2391098 0.0000000 4.2366414 0.0000000 -0.0758895 0.0000000 4.4870683 5 Se 2.3058149 0.0000000 0.7083497 0.0000000 3.0302926 0.0000000 0.5301041 0.0000000 3.5861837 6 Se 2.3058149 0.0000000 -0.7083497 0.0000000 3.0302926 0.0000000 -0.5301041 0.0000000 3.5861837 7 Se 2.3058149 0.0000000 -0.7083497 0.0000000 3.0302926 0.0000000 -0.5301041 0.0000000 3.5861837 8 Se 2.3058149 0.0000000 0.7083497 0.0000000 3.0302926 0.0000000 0.5301041 0.0000000 3.5861837 9 Cl -1.4854124 0.0000000 -0.5395316 0.0000000 -0.7786417 0.0000000 -0.5864194 0.0000000 -1.6818027 10 Cl -1.4854124 0.0000000 0.5395316 0.0000000 -0.7786417 0.0000000 0.5864194 0.0000000 -1.6818027 11 Cl -1.4854124 0.0000000 -0.5395316 0.0000000 -0.7786417 0.0000000 -0.5864194 0.0000000 -1.6818027 12 Cl -1.4854124 0.0000000 0.5395316 0.0000000 -0.7786417 0.0000000 0.5864194 0.0000000 -1.6818027 13 O -1.7516947 -0.2405712 -0.4122021 -0.7867976 -2.8523678 -0.3237472 -0.8599275 -0.5500992 -1.2919756 14 O -1.7516947 0.2405712 -0.4122021 0.7867976 -2.8523678 0.3237472 -0.8599275 0.5500992 -1.2919756 15 O -1.1394141 0.0000000 0.9703599 0.0000000 -0.7835566 0.0000000 0.1020957 0.0000000 -3.8074981 16 O -1.7516947 0.2405712 -0.4122021 0.7867976 -2.8523678 0.3237472 -0.8599275 0.5500992 -1.2919756 17 O -1.7516947 -0.2405712 0.4122021 -0.7867976 -2.8523678 0.3237472 0.8599275 0.5500992 -1.2919756 18 O -1.7516947 0.2405712 0.4122021 0.7867976 -2.8523678 -0.3237472 0.8599275 -0.5500992 -1.2919756 19 O -1.1394141 0.0000000 0.9703599 0.0000000 -0.7835566 0.0000000 0.1020957 0.0000000 -3.8074981 20 O -1.1394141 0.0000000 -0.9703599 0.0000000 -0.7835566 0.0000000 -0.1020957 0.0000000 -3.8074981 21 O -1.7516947 -0.2405712 -0.4122021 -0.7867976 -2.8523678 -0.3237472 -0.8599275 -0.5500992 -1.2919756 22 O -1.7516947 0.2405712 0.4122021 0.7867976 -2.8523678 -0.3237472 0.8599275 -0.5500992 -1.2919756 23 O -1.1394141 0.0000000 -0.9703599 0.0000000 -0.7835566 0.0000000 -0.1020957 0.0000000 -3.8074981 24 O -1.7516947 -0.2405712 0.4122021 -0.7867976 -2.8523678 0.3237472 0.8599275 0.5500992 -1.2919756 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) 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 ... [ 7 7 6 ] 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: 289, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 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 0.989 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 12.004 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.540 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 14.273 ( 0.000 0.000 0.000) 0.000 14.776 ( 0.000 0.000 0.000) 0.000 14.990 ( 0.000 0.000 0.000) 0.000 15.273 ( 0.000 0.000 0.000) 0.000 19.145 ( 0.000 0.000 0.000) 0.000 19.154 ( 0.000 0.000 0.000) 0.000 20.458 ( 0.000 0.000 0.000) 0.000 20.548 ( 0.000 0.000 0.000) 0.000 21.307 ( 0.000 0.000 0.000) 0.000 22.222 ( 0.000 0.000 0.000) 0.000 22.896 ( 0.000 0.000 0.000) 0.000 24.301 ( 0.000 0.000 0.000) 0.000 24.976 ( 0.000 0.000 0.000) 0.000 25.350 ( 0.000 0.000 0.000) 0.000 25.441 ( 0.000 0.000 0.000) 0.000 25.503 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( 10.983 0.000 0.000) 10.983 0.517 ( 24.860 0.000 0.000) 24.860 0.559 ( 26.893 0.000 0.000) 26.893 0.976 ( -1.438 0.000 0.000) 1.438 1.678 ( 3.694 0.000 0.000) 3.694 1.701 ( -0.308 0.000 0.000) 0.308 1.752 ( -2.066 0.000 0.000) 2.066 1.769 ( -0.684 0.000 0.000) 0.684 1.865 ( 0.126 0.000 0.000) 0.126 1.892 ( -0.285 0.000 0.000) 0.285 2.108 ( -1.992 0.000 0.000) 1.992 2.503 ( -2.088 0.000 0.000) 2.088 2.549 ( -3.772 0.000 0.000) 3.772 2.582 ( 1.366 0.000 0.000) 1.366 2.683 ( 0.319 0.000 0.000) 0.319 2.759 ( 2.158 0.000 0.000) 2.158 3.104 ( -1.044 0.000 0.000) 1.044 3.187 ( 4.347 0.000 0.000) 4.347 3.261 ( 4.360 0.000 0.000) 4.360 3.272 ( 10.855 0.000 0.000) 10.855 3.366 ( 7.009 0.000 0.000) 7.009 3.393 ( -4.180 0.000 0.000) 4.180 3.834 ( 6.855 0.000 0.000) 6.855 4.066 ( -1.055 0.000 0.000) 1.055 4.198 ( 1.737 0.000 0.000) 1.737 4.221 ( 0.513 0.000 0.000) 0.513 4.320 ( -9.704 0.000 0.000) 9.704 4.479 ( -2.873 0.000 0.000) 2.873 4.678 ( 0.340 0.000 0.000) 0.340 5.182 ( -5.004 0.000 0.000) 5.004 5.314 ( 0.434 0.000 0.000) 0.434 5.560 ( 0.604 0.000 0.000) 0.604 5.757 ( -1.288 0.000 0.000) 1.288 5.892 ( -3.727 0.000 0.000) 3.727 6.144 ( 0.363 0.000 0.000) 0.363 6.423 ( -2.840 0.000 0.000) 2.840 6.423 ( 1.912 0.000 0.000) 1.912 6.621 ( -1.416 0.000 0.000) 1.416 6.739 ( 3.987 0.000 0.000) 3.987 6.793 ( -1.359 0.000 0.000) 1.359 6.807 ( 0.581 0.000 0.000) 0.581 7.086 ( -5.387 0.000 0.000) 5.387 7.422 ( 4.738 0.000 0.000) 4.738 7.750 ( -1.064 0.000 0.000) 1.064 8.286 ( 2.367 0.000 0.000) 2.367 8.625 ( 3.451 0.000 0.000) 3.451 8.738 ( -2.839 0.000 0.000) 2.839 9.014 ( -0.244 0.000 0.000) 0.244 9.539 ( -0.494 0.000 0.000) 0.494 9.609 ( -1.735 0.000 0.000) 1.735 9.986 ( 0.978 0.000 0.000) 0.978 10.074 ( -0.069 0.000 0.000) 0.069 12.047 ( 4.126 0.000 0.000) 4.126 12.528 ( -1.234 0.000 0.000) 1.234 12.606 ( 0.961 0.000 0.000) 0.961 12.935 ( -2.332 0.000 0.000) 2.332 14.288 ( 1.473 0.000 0.000) 1.473 14.732 ( -4.067 0.000 0.000) 4.067 15.318 ( 4.202 0.000 0.000) 4.202 16.001 ( -4.345 0.000 0.000) 4.345 19.147 ( 0.258 0.000 0.000) 0.258 19.156 ( 0.193 0.000 0.000) 0.193 20.461 ( 0.288 0.000 0.000) 0.288 20.542 ( -0.595 0.000 0.000) 0.595 21.342 ( 3.534 0.000 0.000) 3.534 22.161 ( -5.847 0.000 0.000) 5.847 23.457 ( 4.657 0.000 0.000) 4.657 24.242 ( -5.567 0.000 0.000) 5.567 25.056 ( 0.748 0.000 0.000) 0.748 25.361 ( 0.814 0.000 0.000) 0.814 25.448 ( 0.686 0.000 0.000) 0.686 25.482 ( -1.995 0.000 0.000) 1.995 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 10.873 0.000 0.000) 10.873 0.924 ( -3.985 0.000 0.000) 3.985 0.968 ( 19.700 0.000 0.000) 19.700 1.047 ( 21.156 0.000 0.000) 21.156 1.690 ( -3.820 0.000 0.000) 3.820 1.702 ( 0.508 0.000 0.000) 0.508 1.726 ( -0.107 0.000 0.000) 0.107 1.754 ( -0.740 0.000 0.000) 0.740 1.887 ( 0.019 0.000 0.000) 0.019 1.912 ( 5.246 0.000 0.000) 5.246 2.044 ( -4.178 0.000 0.000) 4.178 2.331 ( -9.306 0.000 0.000) 9.306 2.636 ( 3.393 0.000 0.000) 3.393 2.642 ( 7.521 0.000 0.000) 7.521 2.691 ( 0.402 0.000 0.000) 0.402 2.817 ( 4.042 0.000 0.000) 4.042 3.051 ( -4.042 0.000 0.000) 4.042 3.275 ( -7.412 0.000 0.000) 7.412 3.305 ( 6.874 0.000 0.000) 6.874 3.387 ( 7.752 0.000 0.000) 7.752 3.461 ( 7.321 0.000 0.000) 7.321 3.559 ( 10.820 0.000 0.000) 10.820 4.010 ( 9.947 0.000 0.000) 9.947 4.036 ( -1.913 0.000 0.000) 1.913 4.086 ( -12.775 0.000 0.000) 12.775 4.225 ( -0.312 0.000 0.000) 0.312 4.240 ( 2.114 0.000 0.000) 2.114 4.380 ( -6.437 0.000 0.000) 6.437 4.689 ( 0.948 0.000 0.000) 0.948 5.043 ( -8.526 0.000 0.000) 8.526 5.347 ( 3.381 0.000 0.000) 3.381 5.581 ( 1.494 0.000 0.000) 1.494 5.721 ( -2.263 0.000 0.000) 2.263 5.784 ( -6.937 0.000 0.000) 6.937 6.153 ( 0.674 0.000 0.000) 0.674 6.343 ( -4.858 0.000 0.000) 4.858 6.476 ( 3.147 0.000 0.000) 3.147 6.608 ( -0.274 0.000 0.000) 0.274 6.760 ( -1.129 0.000 0.000) 1.129 6.819 ( 3.392 0.000 0.000) 3.392 6.821 ( 0.609 0.000 0.000) 0.609 6.975 ( -5.237 0.000 0.000) 5.237 7.519 ( 4.669 0.000 0.000) 4.669 7.719 ( -1.986 0.000 0.000) 1.986 8.354 ( 4.287 0.000 0.000) 4.287 8.662 ( -4.591 0.000 0.000) 4.591 8.718 ( 5.536 0.000 0.000) 5.536 8.995 ( -1.864 0.000 0.000) 1.864 9.528 ( -0.526 0.000 0.000) 0.526 9.569 ( -2.091 0.000 0.000) 2.091 10.010 ( 1.361 0.000 0.000) 1.361 10.070 ( -0.373 0.000 0.000) 0.373 12.157 ( 6.501 0.000 0.000) 6.501 12.488 ( -2.946 0.000 0.000) 2.946 12.638 ( 2.305 0.000 0.000) 2.305 12.870 ( -4.017 0.000 0.000) 4.017 14.332 ( 3.037 0.000 0.000) 3.037 14.630 ( -5.760 0.000 0.000) 5.760 15.427 ( 6.444 0.000 0.000) 6.444 15.883 ( -7.187 0.000 0.000) 7.187 19.154 ( 0.359 0.000 0.000) 0.359 19.160 ( 0.203 0.000 0.000) 0.203 20.469 ( 0.603 0.000 0.000) 0.603 20.526 ( -0.984 0.000 0.000) 0.984 21.446 ( 6.770 0.000 0.000) 6.770 22.005 ( -9.335 0.000 0.000) 9.335 23.580 ( 7.334 0.000 0.000) 7.334 24.097 ( -8.527 0.000 0.000) 8.527 25.088 ( 2.649 0.000 0.000) 2.649 25.355 ( -2.517 0.000 0.000) 2.517 25.446 ( -0.558 0.000 0.000) 0.558 25.462 ( 0.530 0.000 0.000) 0.530 ======================= Grid point 3 (4/64) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 9.640 0.000 0.000) 9.640 0.813 ( -7.129 0.000 0.000) 7.129 1.281 ( 11.017 0.000 0.000) 11.017 1.349 ( 6.723 0.000 0.000) 6.723 1.630 ( -0.522 0.000 0.000) 0.522 1.684 ( -3.581 0.000 0.000) 3.581 1.720 ( 1.111 0.000 0.000) 1.111 1.739 ( -0.794 0.000 0.000) 0.794 1.902 ( 1.701 0.000 0.000) 1.701 1.959 ( -3.889 0.000 0.000) 3.889 2.037 ( 6.290 0.000 0.000) 6.290 2.165 ( -7.133 0.000 0.000) 7.133 2.686 ( 1.359 0.000 0.000) 1.359 2.697 ( 0.033 0.000 0.000) 0.033 2.804 ( 8.100 0.000 0.000) 8.100 2.936 ( 7.818 0.000 0.000) 7.818 2.948 ( -6.196 0.000 0.000) 6.196 3.109 ( -8.926 0.000 0.000) 8.926 3.445 ( 7.038 0.000 0.000) 7.038 3.540 ( -0.509 0.000 0.000) 0.509 3.554 ( 8.411 0.000 0.000) 8.411 3.691 ( -2.032 0.000 0.000) 2.032 3.903 ( -0.780 0.000 0.000) 0.780 3.979 ( -4.142 0.000 0.000) 4.142 4.190 ( 6.958 0.000 0.000) 6.958 4.215 ( 0.029 0.000 0.000) 0.029 4.259 ( -4.645 0.000 0.000) 4.645 4.262 ( -0.576 0.000 0.000) 0.576 4.733 ( 4.089 0.000 0.000) 4.089 4.865 ( -8.609 0.000 0.000) 8.609 5.457 ( 7.412 0.000 0.000) 7.412 5.620 ( 2.354 0.000 0.000) 2.354 5.624 ( -8.737 0.000 0.000) 8.737 5.671 ( -2.663 0.000 0.000) 2.663 6.180 ( 2.203 0.000 0.000) 2.203 6.246 ( -4.367 0.000 0.000) 4.367 6.540 ( 3.074 0.000 0.000) 3.074 6.591 ( -1.767 0.000 0.000) 1.767 6.764 ( 1.737 0.000 0.000) 1.737 6.812 ( -2.005 0.000 0.000) 2.005 6.870 ( 1.657 0.000 0.000) 1.657 6.898 ( -2.028 0.000 0.000) 2.028 7.604 ( 3.818 0.000 0.000) 3.818 7.671 ( -2.890 0.000 0.000) 2.890 8.452 ( 5.335 0.000 0.000) 5.335 8.560 ( -5.403 0.000 0.000) 5.403 8.833 ( 5.723 0.000 0.000) 5.723 8.934 ( -4.183 0.000 0.000) 4.183 9.522 ( 0.086 0.000 0.000) 0.086 9.535 ( -1.194 0.000 0.000) 1.194 10.037 ( 1.254 0.000 0.000) 1.254 10.058 ( -0.852 0.000 0.000) 0.852 12.291 ( 6.569 0.000 0.000) 6.569 12.408 ( -5.000 0.000 0.000) 5.000 12.698 ( 3.750 0.000 0.000) 3.750 12.783 ( -4.515 0.000 0.000) 4.515 14.409 ( 4.601 0.000 0.000) 4.601 14.513 ( -5.714 0.000 0.000) 5.714 15.568 ( 7.647 0.000 0.000) 7.647 15.727 ( -8.094 0.000 0.000) 8.094 19.160 ( 0.242 0.000 0.000) 0.242 19.163 ( 0.008 0.000 0.000) 0.008 20.485 ( 0.903 0.000 0.000) 0.903 20.505 ( -1.072 0.000 0.000) 1.072 21.607 ( 9.240 0.000 0.000) 9.240 21.805 ( -10.302 0.000 0.000) 10.302 23.740 ( 8.575 0.000 0.000) 8.575 23.918 ( -9.120 0.000 0.000) 9.120 25.163 ( 4.747 0.000 0.000) 4.747 25.268 ( -5.343 0.000 0.000) 5.343 25.455 ( 0.782 0.000 0.000) 0.782 25.466 ( -0.189 0.000 0.000) 0.189 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 0.000 16.454 0.000) 16.454 0.383 ( 0.000 18.980 0.000) 18.980 1.146 ( 0.000 51.769 0.000) 51.769 1.413 ( 0.000 26.623 0.000) 26.623 1.560 ( 0.000 -5.164 0.000) 5.164 1.746 ( 0.000 -5.890 0.000) 5.890 1.793 ( 0.000 2.349 0.000) 2.349 1.848 ( 0.000 9.293 0.000) 9.293 1.852 ( 0.000 4.812 0.000) 4.812 2.040 ( 0.000 16.176 0.000) 16.176 2.138 ( 0.000 0.828 0.000) 0.828 2.343 ( 0.000 -11.447 0.000) 11.447 2.353 ( 0.000 -1.246 0.000) 1.246 2.904 ( 0.000 13.716 0.000) 13.716 2.907 ( 0.000 18.423 0.000) 18.423 3.083 ( 0.000 -4.172 0.000) 4.172 3.091 ( 0.000 1.076 0.000) 1.076 3.142 ( 0.000 0.359 0.000) 0.359 3.158 ( 0.000 -3.381 0.000) 3.381 3.197 ( 0.000 8.794 0.000) 8.794 3.207 ( 0.000 -1.690 0.000) 1.690 3.489 ( 0.000 5.382 0.000) 5.382 3.698 ( 0.000 -5.238 0.000) 5.238 4.069 ( 0.000 -0.647 0.000) 0.647 4.108 ( 0.000 -3.048 0.000) 3.048 4.330 ( 0.000 -8.783 0.000) 8.783 4.336 ( 0.000 6.889 0.000) 6.889 4.512 ( 0.000 3.095 0.000) 3.095 4.911 ( 0.000 -18.177 0.000) 18.177 5.120 ( 0.000 2.334 0.000) 2.334 5.418 ( 0.000 -12.176 0.000) 12.176 5.582 ( 0.000 -15.943 0.000) 15.943 5.601 ( 0.000 14.993 0.000) 14.993 6.000 ( 0.000 6.340 0.000) 6.340 6.136 ( 0.000 5.414 0.000) 5.414 6.161 ( 0.000 1.143 0.000) 1.143 6.467 ( 0.000 4.707 0.000) 4.707 6.649 ( 0.000 -1.385 0.000) 1.385 6.668 ( 0.000 0.342 0.000) 0.342 6.795 ( 0.000 -0.681 0.000) 0.681 6.800 ( 0.000 -0.703 0.000) 0.703 6.908 ( 0.000 -3.094 0.000) 3.094 7.092 ( 0.000 -5.210 0.000) 5.210 7.325 ( 0.000 -3.276 0.000) 3.276 8.288 ( 0.000 2.133 0.000) 2.133 8.577 ( 0.000 -1.334 0.000) 1.334 8.794 ( 0.000 2.454 0.000) 2.454 9.242 ( 0.000 -2.910 0.000) 2.910 9.599 ( 0.000 5.002 0.000) 5.002 10.008 ( 0.000 2.981 0.000) 2.981 10.079 ( 0.000 0.199 0.000) 0.199 10.248 ( 0.000 -0.478 0.000) 0.478 12.018 ( 0.000 1.301 0.000) 1.301 12.276 ( 0.000 -0.834 0.000) 0.834 12.544 ( 0.000 0.374 0.000) 0.374 12.596 ( 0.000 -0.084 0.000) 0.084 14.291 ( 0.000 1.765 0.000) 1.765 14.785 ( 0.000 0.853 0.000) 0.853 14.918 ( 0.000 -6.512 0.000) 6.512 15.211 ( 0.000 -5.513 0.000) 5.513 19.291 ( 0.000 12.829 0.000) 12.829 20.576 ( 0.000 8.414 0.000) 8.414 20.700 ( 0.000 14.131 0.000) 14.131 21.377 ( 0.000 8.971 0.000) 8.971 22.194 ( 0.000 -2.842 0.000) 2.842 22.465 ( 0.000 1.891 0.000) 1.891 22.870 ( 0.000 -2.398 0.000) 2.398 24.179 ( 0.000 -11.811 0.000) 11.811 24.979 ( 0.000 0.352 0.000) 0.352 25.354 ( 0.000 0.343 0.000) 0.343 25.404 ( 0.000 -3.460 0.000) 3.460 25.485 ( 0.000 -1.663 0.000) 1.663 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 20.720 7.388 0.000) 21.997 0.632 ( 19.254 10.471 0.000) 21.917 1.181 ( 3.504 49.517 0.000) 49.641 1.418 ( 0.276 27.964 0.000) 27.966 1.595 ( 2.654 -4.906 0.000) 5.578 1.738 ( -0.032 -4.593 0.000) 4.593 1.749 ( -3.730 1.661 0.000) 4.084 1.836 ( -0.798 7.791 0.000) 7.832 1.851 ( 0.974 6.781 0.000) 6.851 2.059 ( 1.563 16.087 0.000) 16.162 2.083 ( -3.656 -2.849 0.000) 4.635 2.359 ( 3.181 -2.273 0.000) 3.909 2.414 ( 1.344 -7.261 0.000) 7.384 2.901 ( -0.993 12.913 0.000) 12.951 2.904 ( -0.484 17.962 0.000) 17.969 2.983 ( -5.500 12.859 0.000) 13.986 3.066 ( -1.746 -4.531 0.000) 4.856 3.171 ( 3.471 -1.325 0.000) 3.715 3.225 ( 5.649 -1.524 0.000) 5.851 3.300 ( 7.647 -1.299 0.000) 7.756 3.313 ( 10.209 1.901 0.000) 10.384 3.456 ( -3.057 6.131 0.000) 6.851 3.761 ( 5.917 -6.024 0.000) 8.443 4.052 ( -1.418 -1.595 0.000) 2.135 4.104 ( -0.559 -3.053 0.000) 3.104 4.224 ( -7.404 -7.731 0.000) 10.705 4.362 ( 2.148 6.963 0.000) 7.287 4.435 ( -6.997 2.645 0.000) 7.481 4.886 ( -2.236 -17.542 0.000) 17.684 4.982 ( -5.334 13.178 0.000) 14.217 5.438 ( 0.660 -11.845 0.000) 11.863 5.568 ( -1.396 -6.545 0.000) 6.692 5.587 ( -1.100 5.860 0.000) 5.962 5.920 ( -3.706 3.978 0.000) 5.437 6.166 ( 0.451 1.197 0.000) 1.279 6.358 ( 4.293 -2.939 0.000) 5.203 6.474 ( 0.826 3.842 0.000) 3.930 6.608 ( -1.161 -1.094 0.000) 1.595 6.738 ( 3.550 -0.239 0.000) 3.558 6.778 ( -1.328 -1.112 0.000) 1.732 6.803 ( 0.666 -0.613 0.000) 0.905 7.039 ( -4.301 -3.873 0.000) 5.787 7.191 ( 18.803 -20.596 0.000) 27.889 7.369 ( 3.556 -4.598 0.000) 5.813 8.314 ( 2.597 2.337 0.000) 3.493 8.613 ( 3.522 -1.291 0.000) 3.751 8.772 ( -2.241 2.577 0.000) 3.415 9.173 ( -5.706 0.874 0.000) 5.773 9.595 ( -0.283 5.196 0.000) 5.204 9.861 ( -12.150 9.877 0.000) 15.658 10.081 ( 0.168 0.394 0.000) 0.428 10.105 ( -2.770 9.583 0.000) 9.976 12.059 ( 4.065 1.174 0.000) 4.231 12.532 ( -1.223 0.384 0.000) 1.282 12.601 ( 15.095 -17.098 0.000) 22.808 12.602 ( 0.721 -0.300 0.000) 0.781 14.306 ( 1.523 1.808 0.000) 2.364 14.743 ( -3.810 1.128 0.000) 3.974 15.194 ( 18.509 -27.553 0.000) 33.193 15.247 ( 3.319 -6.297 0.000) 7.118 19.301 ( 0.997 13.494 0.000) 13.531 20.555 ( -25.737 25.998 0.000) 36.582 20.587 ( 1.096 9.310 0.000) 9.374 21.055 ( -48.338 60.059 0.000) 77.095 21.404 ( 2.745 8.079 0.000) 8.532 22.145 ( -5.774 -1.061 0.000) 5.871 23.310 ( 11.849 -11.161 0.000) 16.278 24.128 ( -4.955 -11.198 0.000) 12.245 25.024 ( 2.479 -1.508 0.000) 2.901 25.359 ( 0.285 -0.171 0.000) 0.332 25.409 ( 0.603 -3.582 0.000) 3.633 25.465 ( -1.869 -1.549 0.000) 2.428 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 15.583 8.975 0.000) 17.983 1.016 ( 17.597 5.147 0.000) 18.335 1.284 ( 6.540 38.230 0.000) 38.785 1.411 ( -1.291 31.392 0.000) 31.419 1.616 ( -0.515 -4.954 0.000) 4.981 1.681 ( -2.837 1.303 0.000) 3.122 1.767 ( 1.366 3.152 0.000) 3.435 1.856 ( 4.338 0.319 0.000) 4.349 1.861 ( -0.658 8.917 0.000) 8.941 2.029 ( -1.550 -1.208 0.000) 1.965 2.089 ( 1.331 15.735 0.000) 15.792 2.302 ( -5.850 -2.046 0.000) 6.198 2.541 ( 8.839 -2.920 0.000) 9.309 2.845 ( -2.061 11.304 0.000) 11.491 2.881 ( -1.934 15.148 0.000) 15.271 2.980 ( 2.848 13.000 0.000) 13.309 3.012 ( -3.628 -3.703 0.000) 5.184 3.247 ( 1.523 -1.776 0.000) 2.339 3.349 ( 4.921 1.535 0.000) 5.155 3.412 ( 2.428 5.425 0.000) 5.943 3.460 ( 7.535 -1.189 0.000) 7.628 3.533 ( 10.172 -0.741 0.000) 10.198 3.904 ( 6.844 -8.192 0.000) 10.675 4.024 ( -1.206 -2.069 0.000) 2.394 4.073 ( -7.320 -4.636 0.000) 8.665 4.080 ( -2.032 -4.282 0.000) 4.739 4.277 ( -7.171 -0.079 0.000) 7.172 4.393 ( 0.177 4.815 0.000) 4.819 4.838 ( -2.028 -13.099 0.000) 13.255 4.909 ( -3.000 11.982 0.000) 12.352 5.453 ( 1.015 -12.060 0.000) 12.102 5.539 ( -1.101 -2.492 0.000) 2.724 5.566 ( -0.771 1.738 0.000) 1.901 5.828 ( -5.641 4.858 0.000) 7.445 6.176 ( 0.606 1.282 0.000) 1.418 6.341 ( -3.680 0.017 0.000) 3.680 6.502 ( 1.897 1.963 0.000) 2.730 6.597 ( -0.187 -1.000 0.000) 1.018 6.740 ( -1.216 -1.947 0.000) 2.295 6.814 ( 0.040 -1.193 0.000) 1.194 6.821 ( 3.583 0.266 0.000) 3.592 6.952 ( -3.849 -1.529 0.000) 4.142 7.442 ( 3.384 -6.571 0.000) 7.392 7.443 ( 6.893 -18.306 0.000) 19.561 8.387 ( 4.609 2.809 0.000) 5.398 8.705 ( -4.406 3.132 0.000) 5.406 8.709 ( 5.755 -1.109 0.000) 5.860 9.060 ( -5.367 1.944 0.000) 5.708 9.590 ( -0.188 5.684 0.000) 5.687 9.690 ( -5.354 9.381 0.000) 10.801 10.084 ( 0.177 1.055 0.000) 1.069 10.087 ( -0.159 6.395 0.000) 6.397 12.168 ( 6.422 1.037 0.000) 6.505 12.492 ( -2.894 0.447 0.000) 2.929 12.627 ( 1.763 -1.005 0.000) 2.030 12.745 ( 1.537 -10.106 0.000) 10.222 14.353 ( 3.138 1.950 0.000) 3.694 14.647 ( -5.486 1.673 0.000) 5.735 15.329 ( 4.549 -8.656 0.000) 9.778 15.444 ( 6.189 -28.518 0.000) 29.181 19.332 ( 2.209 15.743 0.000) 15.898 19.868 ( -25.733 46.364 0.000) 53.027 20.617 ( 1.873 11.670 0.000) 11.819 20.766 ( -3.775 23.455 0.000) 23.757 21.487 ( 5.604 5.800 0.000) 8.065 21.994 ( -8.951 -0.534 0.000) 8.967 23.494 ( 8.245 -7.996 0.000) 11.486 23.996 ( -7.813 -9.890 0.000) 12.604 25.075 ( 3.087 -0.886 0.000) 3.211 25.343 ( -2.724 -1.032 0.000) 2.913 25.424 ( 0.715 -3.533 0.000) 3.605 25.431 ( -0.768 -1.468 0.000) 1.656 ======================= Grid point 10 (8/64) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 8.147 20.158 0.000) 21.742 1.265 ( 3.752 10.380 0.000) 11.037 1.383 ( 1.107 25.693 0.000) 25.717 1.399 ( 3.186 18.333 0.000) 18.608 1.605 ( -0.062 -1.593 0.000) 1.594 1.631 ( -2.349 1.794 0.000) 2.956 1.786 ( 1.385 5.563 0.000) 5.733 1.826 ( -2.342 6.778 0.000) 7.171 1.969 ( 4.769 0.929 0.000) 4.859 2.013 ( -0.572 5.043 0.000) 5.075 2.116 ( 1.861 11.904 0.000) 12.048 2.187 ( -5.097 2.615 0.000) 5.729 2.714 ( 7.738 -0.016 0.000) 7.738 2.825 ( -3.711 9.251 0.000) 9.968 2.846 ( 2.013 6.270 0.000) 6.586 2.923 ( -5.014 -1.321 0.000) 5.185 3.062 ( 5.188 10.509 0.000) 11.720 3.178 ( -5.960 6.044 0.000) 8.489 3.455 ( 6.192 1.211 0.000) 6.310 3.542 ( -0.673 0.287 0.000) 0.732 3.553 ( 8.176 0.435 0.000) 8.188 3.659 ( 0.214 -3.154 0.000) 3.161 3.931 ( -0.192 1.740 0.000) 1.750 3.992 ( -3.175 1.507 0.000) 3.514 4.017 ( -0.108 -9.620 0.000) 9.621 4.027 ( -2.016 -9.005 0.000) 9.228 4.240 ( 4.250 -3.178 0.000) 5.306 4.349 ( -4.632 -1.356 0.000) 4.827 4.821 ( 0.458 -1.970 0.000) 2.023 4.853 ( -2.463 7.425 0.000) 7.823 5.480 ( 1.656 -12.796 0.000) 12.903 5.514 ( -1.636 -13.258 0.000) 13.359 5.591 ( 3.792 10.623 0.000) 11.280 5.701 ( -6.576 7.540 0.000) 10.005 6.199 ( 1.937 1.200 0.000) 2.279 6.258 ( -3.957 0.878 0.000) 4.053 6.545 ( 2.245 0.276 0.000) 2.262 6.584 ( -1.417 -0.716 0.000) 1.588 6.741 ( 1.544 -2.172 0.000) 2.665 6.788 ( -2.489 -2.474 0.000) 3.509 6.877 ( 1.923 0.661 0.000) 2.034 6.903 ( -1.224 0.742 0.000) 1.431 7.497 ( 1.961 -8.891 0.000) 9.104 7.511 ( 0.812 -12.435 0.000) 12.462 8.491 ( 5.593 3.257 0.000) 6.472 8.604 ( -5.514 3.426 0.000) 6.491 8.832 ( 6.292 -0.638 0.000) 6.324 8.952 ( -5.646 0.393 0.000) 5.660 9.592 ( 0.573 6.355 0.000) 6.381 9.619 ( -2.219 7.375 0.000) 7.702 10.087 ( 0.054 2.364 0.000) 2.364 10.087 ( 0.032 4.053 0.000) 4.053 12.300 ( 6.455 0.840 0.000) 6.509 12.415 ( -4.897 0.610 0.000) 4.935 12.672 ( 2.722 -2.394 0.000) 3.625 12.727 ( -2.389 -4.979 0.000) 5.522 14.431 ( 4.649 2.105 0.000) 5.103 14.535 ( -5.599 2.054 0.000) 5.964 15.419 ( 4.154 -12.898 0.000) 13.550 15.480 ( -1.464 -19.698 0.000) 19.753 19.396 ( 4.480 20.557 0.000) 21.040 19.533 ( -10.234 30.153 0.000) 31.842 20.659 ( 2.292 14.760 0.000) 14.936 20.708 ( -2.561 18.166 0.000) 18.346 21.626 ( 8.164 3.096 0.000) 8.731 21.805 ( -9.562 0.857 0.000) 9.600 23.659 ( 8.414 -7.841 0.000) 11.501 23.830 ( -8.598 -8.646 0.000) 12.193 25.154 ( 4.753 -0.703 0.000) 4.805 25.257 ( -5.195 -0.918 0.000) 5.275 25.431 ( 0.312 -2.258 0.000) 2.280 25.433 ( 0.162 -3.046 0.000) 3.051 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 20.783 0.000) 20.783 0.768 ( 0.000 17.990 0.000) 17.990 1.429 ( 0.000 -6.100 0.000) 6.100 1.620 ( 0.000 -4.518 0.000) 4.518 1.701 ( 0.000 2.324 0.000) 2.324 1.826 ( 0.000 0.306 0.000) 0.306 1.904 ( 0.000 8.519 0.000) 8.519 1.945 ( 0.000 0.803 0.000) 0.803 2.106 ( 0.000 13.517 0.000) 13.517 2.137 ( 0.000 -1.366 0.000) 1.366 2.302 ( 0.000 23.410 0.000) 23.410 2.330 ( 0.000 -1.339 0.000) 1.339 2.580 ( 0.000 22.558 0.000) 22.558 2.997 ( 0.000 6.125 0.000) 6.125 3.093 ( 0.000 -0.283 0.000) 0.283 3.136 ( 0.000 0.639 0.000) 0.639 3.138 ( 0.000 0.072 0.000) 0.072 3.142 ( 0.000 5.710 0.000) 5.710 3.149 ( 0.000 -4.082 0.000) 4.082 3.321 ( 0.000 18.151 0.000) 18.151 3.466 ( 0.000 17.239 0.000) 17.239 3.628 ( 0.000 1.144 0.000) 1.144 3.670 ( 0.000 12.198 0.000) 12.198 4.046 ( 0.000 -1.839 0.000) 1.839 4.052 ( 0.000 -2.834 0.000) 2.834 4.141 ( 0.000 -8.414 0.000) 8.414 4.441 ( 0.000 0.086 0.000) 0.086 4.542 ( 0.000 -14.516 0.000) 14.516 4.619 ( 0.000 7.439 0.000) 7.439 5.089 ( 0.000 -19.345 0.000) 19.345 5.133 ( 0.000 -1.671 0.000) 1.671 5.185 ( 0.000 -21.673 0.000) 21.673 5.888 ( 0.000 12.492 0.000) 12.492 6.155 ( 0.000 7.791 0.000) 7.791 6.178 ( 0.000 0.558 0.000) 0.558 6.248 ( 0.000 4.848 0.000) 4.848 6.550 ( 0.000 2.977 0.000) 2.977 6.611 ( 0.000 -2.037 0.000) 2.037 6.660 ( 0.000 -1.504 0.000) 1.504 6.754 ( 0.000 -3.822 0.000) 3.822 6.785 ( 0.000 -0.611 0.000) 0.611 6.837 ( 0.000 -3.187 0.000) 3.187 7.001 ( 0.000 -2.068 0.000) 2.068 7.237 ( 0.000 -5.080 0.000) 5.080 8.337 ( 0.000 2.463 0.000) 2.463 8.530 ( 0.000 -3.169 0.000) 3.169 8.861 ( 0.000 3.872 0.000) 3.872 9.160 ( 0.000 -4.908 0.000) 4.908 9.731 ( 0.000 7.387 0.000) 7.387 10.069 ( 0.000 -1.543 0.000) 1.543 10.084 ( 0.000 4.134 0.000) 4.134 10.236 ( 0.000 -0.709 0.000) 0.709 12.058 ( 0.000 2.562 0.000) 2.562 12.247 ( 0.000 -2.082 0.000) 2.082 12.555 ( 0.000 0.657 0.000) 0.657 12.592 ( 0.000 -0.286 0.000) 0.286 14.344 ( 0.000 3.421 0.000) 3.421 14.750 ( 0.000 -9.085 0.000) 9.085 14.811 ( 0.000 1.733 0.000) 1.733 15.076 ( 0.000 -6.975 0.000) 6.975 19.642 ( 0.000 20.175 0.000) 20.175 20.636 ( 0.000 -4.186 0.000) 4.186 21.081 ( 0.000 21.530 0.000) 21.530 21.778 ( 0.000 29.877 0.000) 29.877 22.095 ( 0.000 -7.237 0.000) 7.237 22.521 ( 0.000 3.480 0.000) 3.480 22.801 ( 0.000 -4.177 0.000) 4.177 23.818 ( 0.000 -23.315 0.000) 23.315 24.998 ( 0.000 1.798 0.000) 1.798 25.305 ( 0.000 -6.007 0.000) 6.007 25.363 ( 0.000 0.530 0.000) 0.530 25.443 ( 0.000 -2.211 0.000) 2.211 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 13.648 16.121 0.000) 21.122 0.896 ( 11.431 13.914 0.000) 18.008 1.474 ( 4.121 -5.307 0.000) 6.719 1.623 ( 0.691 -3.886 0.000) 3.946 1.727 ( 2.106 2.929 0.000) 3.608 1.760 ( -4.751 1.106 0.000) 4.878 1.919 ( 0.661 11.810 0.000) 11.828 1.955 ( 0.358 -4.809 0.000) 4.822 2.107 ( 0.269 13.943 0.000) 13.945 2.118 ( 0.513 8.026 0.000) 8.043 2.336 ( 0.162 2.112 0.000) 2.118 2.396 ( 7.132 14.496 0.000) 16.155 2.574 ( -0.702 21.976 0.000) 21.988 2.976 ( -1.353 4.236 0.000) 4.447 3.101 ( 2.007 0.935 0.000) 2.214 3.161 ( 2.611 0.402 0.000) 2.642 3.165 ( -0.453 8.751 0.000) 8.763 3.220 ( 6.381 -2.839 0.000) 6.984 3.221 ( 5.646 1.686 0.000) 5.893 3.296 ( -1.426 17.794 0.000) 17.851 3.469 ( 3.276 8.170 0.000) 8.803 3.651 ( -1.753 12.547 0.000) 12.669 3.683 ( 3.667 2.476 0.000) 4.425 4.004 ( -2.719 -2.757 0.000) 3.872 4.064 ( 0.023 -1.918 0.000) 1.918 4.068 ( -5.980 -6.540 0.000) 8.862 4.425 ( -2.654 -6.637 0.000) 7.148 4.554 ( -6.032 8.572 0.000) 10.482 4.565 ( 3.179 -7.725 0.000) 8.354 5.088 ( -0.180 -10.999 0.000) 11.000 5.121 ( -1.381 -8.873 0.000) 8.980 5.183 ( -0.228 -21.346 0.000) 21.347 5.870 ( -1.563 12.669 0.000) 12.765 6.068 ( -4.250 9.183 0.000) 10.119 6.182 ( 0.297 0.310 0.000) 0.430 6.347 ( 3.356 0.686 0.000) 3.426 6.543 ( -0.524 2.511 0.000) 2.565 6.582 ( -1.033 -1.156 0.000) 1.550 6.703 ( 0.851 -3.195 0.000) 3.307 6.757 ( 0.080 -4.282 0.000) 4.283 6.773 ( 0.998 0.621 0.000) 1.176 6.943 ( 9.327 -7.061 0.000) 11.698 6.980 ( -1.661 -0.570 0.000) 1.756 7.257 ( 1.677 -5.975 0.000) 6.206 8.368 ( 3.037 2.697 0.000) 4.062 8.567 ( 3.592 -3.151 0.000) 4.778 8.840 ( -2.086 3.861 0.000) 4.388 9.125 ( -3.299 -4.201 0.000) 5.342 9.732 ( 0.144 7.603 0.000) 7.604 10.003 ( -6.535 6.034 0.000) 8.894 10.075 ( 0.585 -1.389 0.000) 1.507 10.225 ( -1.106 1.902 0.000) 2.200 12.097 ( 3.913 2.574 0.000) 4.683 12.372 ( 9.721 -7.172 0.000) 12.081 12.544 ( -1.159 0.707 0.000) 1.358 12.593 ( 0.139 -0.595 0.000) 0.611 14.361 ( 1.659 3.514 0.000) 3.886 14.778 ( -3.080 2.254 0.000) 3.816 14.822 ( 6.432 -13.020 0.000) 14.522 15.092 ( 1.422 -7.994 0.000) 8.119 19.667 ( 2.502 20.851 0.000) 21.000 20.668 ( 3.124 -3.490 0.000) 4.684 20.981 ( -11.216 20.956 0.000) 23.769 21.780 ( -30.572 9.521 0.000) 32.020 21.784 ( 0.636 29.042 0.000) 29.049 22.207 ( -9.598 11.315 0.000) 14.838 23.071 ( 12.401 -11.873 0.000) 17.168 23.781 ( -3.522 -22.498 0.000) 22.773 25.020 ( 1.893 1.147 0.000) 2.214 25.309 ( 0.548 -5.928 0.000) 5.953 25.357 ( -0.767 0.005 0.000) 0.767 25.425 ( -1.625 -2.089 0.000) 2.647 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 14.449 11.227 0.000) 18.298 1.156 ( 13.187 7.960 0.000) 15.403 1.566 ( 4.122 -0.968 0.000) 4.234 1.651 ( 1.929 -2.850 0.000) 3.441 1.682 ( -3.100 3.199 0.000) 4.455 1.777 ( 3.164 2.575 0.000) 4.079 1.900 ( -2.983 6.220 0.000) 6.899 1.935 ( -1.663 -0.915 0.000) 1.898 2.126 ( 1.835 14.540 0.000) 14.656 2.195 ( 5.516 4.795 0.000) 7.308 2.332 ( 0.202 13.472 0.000) 13.473 2.549 ( -1.836 20.439 0.000) 20.522 2.555 ( 8.723 9.952 0.000) 13.234 2.950 ( -1.447 4.689 0.000) 4.907 3.088 ( -3.444 12.260 0.000) 12.735 3.167 ( -5.457 8.495 0.000) 10.097 3.201 ( 4.483 7.010 0.000) 8.321 3.239 ( 2.733 2.730 0.000) 3.863 3.369 ( 8.057 -6.450 0.000) 10.320 3.406 ( 8.172 6.760 0.000) 10.605 3.581 ( 4.897 1.771 0.000) 5.207 3.608 ( -2.289 11.649 0.000) 11.872 3.750 ( 3.526 -3.380 0.000) 4.885 3.951 ( -2.530 -3.429 0.000) 4.262 3.961 ( -3.465 -3.430 0.000) 4.875 4.056 ( -0.767 -0.747 0.000) 1.071 4.336 ( -5.447 -9.773 0.000) 11.188 4.407 ( -7.930 10.702 0.000) 13.320 4.665 ( 6.183 -3.128 0.000) 6.929 5.040 ( -4.615 0.354 0.000) 4.629 5.115 ( 0.838 -19.805 0.000) 19.822 5.174 ( -0.704 -20.645 0.000) 20.657 5.840 ( -0.937 12.958 0.000) 12.992 5.992 ( -3.792 10.246 0.000) 10.925 6.189 ( 0.534 -0.093 0.000) 0.542 6.342 ( -2.885 -0.265 0.000) 2.897 6.538 ( 0.171 1.496 0.000) 1.505 6.573 ( -0.168 -1.017 0.000) 1.031 6.685 ( -1.214 -3.265 0.000) 3.484 6.747 ( -1.193 -4.997 0.000) 5.138 6.832 ( 3.717 0.948 0.000) 3.836 6.951 ( -1.068 1.726 0.000) 2.030 7.138 ( 8.614 -11.120 0.000) 14.066 7.290 ( 1.341 -7.590 0.000) 7.708 8.452 ( 5.180 3.226 0.000) 6.102 8.665 ( 5.960 -3.082 0.000) 6.710 8.778 ( -4.068 3.917 0.000) 5.648 9.038 ( -5.145 -3.194 0.000) 6.055 9.738 ( 0.488 8.165 0.000) 8.180 9.879 ( -5.317 8.766 0.000) 10.252 10.092 ( 1.152 -0.860 0.000) 1.438 10.195 ( -1.821 2.580 0.000) 3.157 12.202 ( 6.185 2.420 0.000) 6.641 12.506 ( -2.677 0.930 0.000) 2.834 12.537 ( 5.823 -9.127 0.000) 10.826 12.599 ( 0.442 -1.624 0.000) 1.683 14.411 ( 3.383 3.761 0.000) 5.059 14.698 ( -4.736 3.240 0.000) 5.738 14.965 ( 6.968 -17.949 0.000) 19.254 15.119 ( 1.000 -10.656 0.000) 10.702 19.745 ( 5.522 22.882 0.000) 23.538 20.601 ( -24.065 27.027 0.000) 36.188 20.758 ( 5.824 -1.199 0.000) 5.946 21.299 ( -15.403 18.333 0.000) 23.945 21.806 ( 1.726 26.480 0.000) 26.536 22.062 ( -6.491 11.087 0.000) 12.847 23.267 ( 8.150 -13.901 0.000) 16.114 23.685 ( -5.850 -20.482 0.000) 21.301 25.070 ( 3.139 0.655 0.000) 3.207 25.321 ( -3.064 -0.778 0.000) 3.162 25.327 ( 1.112 -5.667 0.000) 5.775 25.391 ( -1.396 -2.221 0.000) 2.623 ======================= Grid point 17 (12/64) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 8.033 8.947 0.000) 12.024 1.372 ( 6.935 5.812 0.000) 9.049 1.593 ( -0.868 3.791 0.000) 3.889 1.619 ( -3.353 2.669 0.000) 4.285 1.719 ( 4.968 -0.253 0.000) 4.974 1.821 ( -4.750 3.622 0.000) 5.973 1.846 ( 3.029 0.631 0.000) 3.094 1.894 ( -2.191 -0.139 0.000) 2.196 2.183 ( 3.547 12.427 0.000) 12.923 2.240 ( -1.356 5.194 0.000) 5.368 2.395 ( 5.549 20.256 0.000) 21.003 2.494 ( -3.866 18.971 0.000) 19.361 2.740 ( 9.405 8.574 0.000) 12.727 2.897 ( -5.055 8.061 0.000) 9.514 3.031 ( -1.698 11.429 0.000) 11.554 3.048 ( -4.277 8.766 0.000) 9.754 3.274 ( 2.434 8.127 0.000) 8.484 3.288 ( 1.242 3.011 0.000) 3.257 3.518 ( 5.204 -5.519 0.000) 7.585 3.524 ( 2.529 6.036 0.000) 6.544 3.586 ( 0.682 2.238 0.000) 2.340 3.594 ( -1.626 -0.588 0.000) 1.729 3.834 ( 3.546 -5.011 0.000) 6.138 3.894 ( -3.149 -3.641 0.000) 4.814 3.959 ( 3.088 -2.132 0.000) 3.752 4.029 ( -2.463 -1.118 0.000) 2.705 4.247 ( -2.298 -2.533 0.000) 3.420 4.273 ( -4.660 8.883 0.000) 10.032 4.796 ( 6.733 -2.077 0.000) 7.046 4.928 ( -6.329 -1.081 0.000) 6.420 5.135 ( 1.085 -19.489 0.000) 19.519 5.156 ( -1.027 -19.990 0.000) 20.017 5.848 ( 1.920 12.726 0.000) 12.870 5.912 ( -4.025 11.670 0.000) 12.345 6.211 ( 1.926 -0.170 0.000) 1.933 6.269 ( -3.710 -0.114 0.000) 3.712 6.549 ( 0.813 0.267 0.000) 0.856 6.566 ( -0.714 -0.767 0.000) 1.048 6.681 ( 0.971 -3.440 0.000) 3.575 6.714 ( -1.943 -4.399 0.000) 4.809 6.897 ( 2.545 1.465 0.000) 2.936 6.932 ( -1.094 2.137 0.000) 2.401 7.262 ( 3.832 -10.833 0.000) 11.491 7.301 ( -0.421 -9.259 0.000) 9.269 8.565 ( 5.958 3.721 0.000) 7.025 8.681 ( -5.483 3.951 0.000) 6.758 8.794 ( 6.700 -2.966 0.000) 7.327 8.924 ( -6.207 -2.893 0.000) 6.848 9.755 ( 1.343 8.859 0.000) 8.961 9.797 ( -2.970 9.317 0.000) 9.779 10.120 ( 1.642 0.139 0.000) 1.648 10.156 ( -1.935 1.488 0.000) 2.441 12.328 ( 6.065 1.996 0.000) 6.385 12.435 ( -4.513 1.402 0.000) 4.726 12.604 ( 1.302 -6.449 0.000) 6.579 12.609 ( 0.389 -3.571 0.000) 3.593 14.494 ( 4.771 4.013 0.000) 6.234 14.596 ( -5.290 3.915 0.000) 6.581 15.076 ( 3.917 -17.696 0.000) 18.124 15.123 ( -0.893 -14.314 0.000) 14.342 19.898 ( 10.136 26.101 0.000) 28.000 20.170 ( -17.641 29.196 0.000) 34.111 20.896 ( 7.830 3.216 0.000) 8.465 21.068 ( -9.509 10.142 0.000) 13.902 21.857 ( 3.390 22.123 0.000) 22.381 21.943 ( -5.242 16.379 0.000) 17.197 23.417 ( 7.166 -15.780 0.000) 17.331 23.557 ( -6.810 -18.065 0.000) 19.306 25.146 ( 4.443 0.212 0.000) 4.448 25.240 ( -4.717 -0.431 0.000) 4.737 25.349 ( 1.101 -4.839 0.000) 4.963 25.370 ( -0.945 -3.493 0.000) 3.618 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 13.125 0.000) 13.125 1.104 ( 0.000 21.520 0.000) 21.520 1.297 ( 0.000 -7.270 0.000) 7.270 1.534 ( 0.000 -19.871 0.000) 19.871 1.584 ( 0.000 1.280 0.000) 1.280 1.657 ( 0.000 -4.568 0.000) 4.568 1.985 ( 0.000 5.005 0.000) 5.005 2.080 ( 0.000 -3.973 0.000) 3.973 2.120 ( 0.000 8.775 0.000) 8.775 2.269 ( 0.000 -5.151 0.000) 5.151 2.367 ( 0.000 11.646 0.000) 11.646 2.583 ( 0.000 -9.167 0.000) 9.167 2.792 ( 0.000 17.239 0.000) 17.239 3.031 ( 0.000 -7.738 0.000) 7.738 3.095 ( 0.000 0.854 0.000) 0.854 3.138 ( 0.000 -2.970 0.000) 2.970 3.141 ( 0.000 0.129 0.000) 0.129 3.142 ( 0.000 0.115 0.000) 0.115 3.527 ( 0.000 28.994 0.000) 28.994 3.660 ( 0.000 14.792 0.000) 14.792 3.739 ( 0.000 6.919 0.000) 6.919 3.813 ( 0.000 6.055 0.000) 6.055 3.925 ( 0.000 5.661 0.000) 5.661 3.955 ( 0.000 -8.208 0.000) 8.208 3.971 ( 0.000 -2.281 0.000) 2.281 4.104 ( 0.000 14.010 0.000) 14.010 4.171 ( 0.000 -13.361 0.000) 13.361 4.533 ( 0.000 3.845 0.000) 3.845 4.586 ( 0.000 -23.444 0.000) 23.444 4.748 ( 0.000 -18.330 0.000) 18.330 4.852 ( 0.000 8.555 0.000) 8.555 5.039 ( 0.000 -7.455 0.000) 7.455 6.093 ( 0.000 7.044 0.000) 7.044 6.175 ( 0.000 -1.399 0.000) 1.399 6.285 ( 0.000 4.252 0.000) 4.252 6.315 ( 0.000 1.277 0.000) 1.277 6.583 ( 0.000 -0.249 0.000) 0.249 6.595 ( 0.000 2.002 0.000) 2.002 6.610 ( 0.000 -2.617 0.000) 2.617 6.658 ( 0.000 -4.402 0.000) 4.402 6.779 ( 0.000 0.123 0.000) 0.123 6.793 ( 0.000 -1.251 0.000) 1.251 7.024 ( 0.000 3.675 0.000) 3.675 7.125 ( 0.000 -5.605 0.000) 5.605 8.390 ( 0.000 2.858 0.000) 2.858 8.457 ( 0.000 -3.630 0.000) 3.630 8.949 ( 0.000 4.691 0.000) 4.691 9.052 ( 0.000 -5.304 0.000) 5.304 9.883 ( 0.000 7.028 0.000) 7.028 10.006 ( 0.000 -4.655 0.000) 4.655 10.163 ( 0.000 3.274 0.000) 3.274 10.214 ( 0.000 -1.648 0.000) 1.648 12.120 ( 0.000 3.421 0.000) 3.421 12.191 ( 0.000 -3.249 0.000) 3.249 12.570 ( 0.000 0.733 0.000) 0.733 12.583 ( 0.000 -0.564 0.000) 0.564 14.434 ( 0.000 5.454 0.000) 5.454 14.572 ( 0.000 -7.897 0.000) 7.897 14.860 ( 0.000 3.171 0.000) 3.171 14.946 ( 0.000 -5.340 0.000) 5.340 20.068 ( 0.000 20.178 0.000) 20.178 20.433 ( 0.000 -14.608 0.000) 14.608 21.524 ( 0.000 20.370 0.000) 20.370 21.881 ( 0.000 -13.924 0.000) 13.924 22.496 ( 0.000 37.414 0.000) 37.414 22.605 ( 0.000 4.647 0.000) 4.647 22.706 ( 0.000 -4.956 0.000) 4.956 23.234 ( 0.000 -33.058 0.000) 33.058 25.060 ( 0.000 4.343 0.000) 4.343 25.173 ( 0.000 -6.352 0.000) 6.352 25.377 ( 0.000 0.870 0.000) 0.870 25.402 ( 0.000 -1.632 0.000) 1.632 ======================= Grid point 22 (14/64) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 6.309 11.182 0.000) 12.839 1.194 ( 8.350 18.894 0.000) 20.657 1.347 ( 4.774 -7.292 0.000) 8.715 1.568 ( 3.450 -16.513 0.000) 16.869 1.613 ( 2.827 2.718 0.000) 3.922 1.698 ( 3.469 -4.194 0.000) 5.442 1.944 ( -3.714 4.037 0.000) 5.486 2.031 ( -3.754 -2.865 0.000) 4.723 2.182 ( 4.725 7.079 0.000) 8.511 2.310 ( 3.643 -4.014 0.000) 5.421 2.366 ( -0.028 11.362 0.000) 11.362 2.578 ( -0.499 -9.049 0.000) 9.062 2.824 ( 3.043 15.628 0.000) 15.922 3.040 ( 2.609 -7.065 0.000) 7.531 3.158 ( 1.690 1.642 0.000) 2.356 3.167 ( 5.913 1.380 0.000) 6.072 3.172 ( 2.356 0.045 0.000) 2.356 3.226 ( 7.377 -3.044 0.000) 7.980 3.546 ( 0.814 25.745 0.000) 25.758 3.636 ( -1.472 15.436 0.000) 15.506 3.669 ( -5.137 9.729 0.000) 11.002 3.797 ( -2.750 -0.780 0.000) 2.858 3.912 ( -2.683 11.532 0.000) 11.840 3.926 ( -2.131 -6.019 0.000) 6.385 3.957 ( -0.658 -10.151 0.000) 10.172 4.101 ( -0.183 17.079 0.000) 17.080 4.158 ( -0.749 -12.601 0.000) 12.623 4.561 ( 2.584 2.971 0.000) 3.937 4.580 ( -0.917 -21.513 0.000) 21.532 4.758 ( 0.826 -17.409 0.000) 17.428 4.825 ( -2.360 7.784 0.000) 8.133 5.021 ( -1.983 -7.826 0.000) 8.073 6.080 ( -1.122 7.368 0.000) 7.453 6.170 ( -0.379 -1.864 0.000) 1.902 6.243 ( -2.369 7.042 0.000) 7.430 6.339 ( 0.232 -2.226 0.000) 2.238 6.577 ( -0.227 1.040 0.000) 1.065 6.586 ( -0.762 2.205 0.000) 2.333 6.628 ( 0.261 -3.578 0.000) 3.588 6.654 ( -0.413 -4.661 0.000) 4.680 6.795 ( 2.396 1.555 0.000) 2.856 6.843 ( 4.780 -3.290 0.000) 5.802 7.022 ( -0.096 4.182 0.000) 4.183 7.132 ( 0.584 -6.034 0.000) 6.062 8.425 ( 3.419 3.008 0.000) 4.554 8.494 ( 3.591 -3.662 0.000) 5.129 8.927 ( -2.189 4.577 0.000) 5.073 9.026 ( -2.526 -5.033 0.000) 5.631 9.888 ( 0.524 7.182 0.000) 7.201 10.013 ( 0.726 -4.682 0.000) 4.738 10.122 ( -3.327 5.347 0.000) 6.298 10.210 ( -0.847 -2.860 0.000) 2.983 12.164 ( 4.168 3.887 0.000) 5.699 12.254 ( 5.632 -4.866 0.000) 7.443 12.561 ( -0.944 0.881 0.000) 1.291 12.578 ( -0.492 -0.828 0.000) 0.963 14.454 ( 1.939 5.682 0.000) 6.004 14.601 ( 2.859 -8.809 0.000) 9.261 14.840 ( -1.954 3.898 0.000) 4.360 14.943 ( -0.453 -6.251 0.000) 6.267 20.103 ( 3.550 20.513 0.000) 20.818 20.471 ( 3.822 -14.558 0.000) 15.052 21.398 ( -12.279 18.525 0.000) 22.225 21.707 ( -15.560 -11.016 0.000) 19.064 22.489 ( -0.675 36.843 0.000) 36.849 22.520 ( -3.974 15.551 0.000) 16.050 22.815 ( 6.304 -13.278 0.000) 14.699 23.213 ( -1.968 -32.337 0.000) 32.397 25.073 ( 1.250 4.043 0.000) 4.232 25.181 ( 0.801 -6.157 0.000) 6.209 25.363 ( -1.424 0.673 0.000) 1.575 25.386 ( -1.528 -1.588 0.000) 2.204 ======================= Grid point 23 (15/64) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 9.224 7.910 0.000) 12.152 1.398 ( 10.956 14.599 0.000) 18.253 1.475 ( 7.640 -6.801 0.000) 10.229 1.662 ( 5.232 -8.705 0.000) 10.157 1.682 ( 3.320 4.725 0.000) 5.775 1.772 ( 3.506 -2.973 0.000) 4.596 1.849 ( -5.487 1.645 0.000) 5.728 1.935 ( -5.817 -4.457 0.000) 7.329 2.286 ( 5.086 6.824 0.000) 8.511 2.370 ( 0.475 10.252 0.000) 10.263 2.395 ( 4.523 -2.894 0.000) 5.370 2.564 ( -0.942 -8.327 0.000) 8.380 2.914 ( 6.153 14.399 0.000) 15.659 3.151 ( 8.150 -9.773 0.000) 12.726 3.189 ( 1.204 4.411 0.000) 4.572 3.220 ( 2.097 0.200 0.000) 2.107 3.295 ( 5.859 5.523 0.000) 8.051 3.356 ( 3.115 1.485 0.000) 3.451 3.482 ( -6.379 18.596 0.000) 19.659 3.589 ( -1.237 5.021 0.000) 5.171 3.649 ( 0.373 10.473 0.000) 10.480 3.718 ( -3.662 -4.604 0.000) 5.883 3.813 ( -5.935 7.194 0.000) 9.326 3.890 ( -2.297 -5.091 0.000) 5.585 3.949 ( 0.707 -1.870 0.000) 2.000 4.096 ( -0.459 18.483 0.000) 18.488 4.179 ( 3.472 -8.109 0.000) 8.821 4.536 ( -3.747 -13.831 0.000) 14.330 4.626 ( 3.706 0.106 0.000) 3.707 4.775 ( 0.763 -15.194 0.000) 15.213 4.775 ( -2.243 1.941 0.000) 2.966 4.958 ( -4.245 -8.094 0.000) 9.140 6.060 ( -0.570 7.948 0.000) 7.969 6.165 ( 0.034 -2.656 0.000) 2.656 6.193 ( -2.890 8.267 0.000) 8.758 6.311 ( -2.857 -3.260 0.000) 4.335 6.570 ( -0.355 0.992 0.000) 1.053 6.572 ( -0.472 2.232 0.000) 2.281 6.615 ( -0.823 -3.155 0.000) 3.261 6.642 ( -0.791 -4.590 0.000) 4.657 6.869 ( 4.455 3.008 0.000) 5.375 6.964 ( 6.478 -6.321 0.000) 9.051 7.019 ( -0.398 4.783 0.000) 4.800 7.141 ( 0.110 -6.825 0.000) 6.826 8.519 ( 5.695 3.364 0.000) 6.614 8.592 ( 5.959 -3.750 0.000) 7.041 8.863 ( -4.163 4.341 0.000) 6.015 8.955 ( -4.544 -4.518 0.000) 6.408 9.905 ( 1.141 7.628 0.000) 7.713 10.035 ( 1.510 -4.747 0.000) 4.982 10.050 ( -3.636 7.703 0.000) 8.518 10.177 ( -2.348 -4.041 0.000) 4.674 12.270 ( 5.969 4.268 0.000) 7.338 12.379 ( 6.088 -6.391 0.000) 8.826 12.531 ( -2.104 1.429 0.000) 2.543 12.564 ( -1.017 -1.735 0.000) 2.011 14.512 ( 3.796 6.221 0.000) 7.288 14.680 ( 4.779 -10.551 0.000) 11.582 14.784 ( -3.580 5.300 0.000) 6.396 14.922 ( -1.810 -8.249 0.000) 8.445 20.212 ( 7.387 21.359 0.000) 22.600 20.585 ( 7.581 -14.253 0.000) 16.144 21.068 ( -19.262 18.853 0.000) 26.953 21.359 ( -17.549 -8.455 0.000) 19.479 22.469 ( -1.432 23.838 0.000) 23.881 22.473 ( -0.901 35.177 0.000) 35.189 22.924 ( 4.669 -19.603 0.000) 20.151 23.159 ( -3.294 -30.352 0.000) 30.531 25.111 ( 2.542 3.428 0.000) 4.268 25.206 ( 1.766 -5.632 0.000) 5.902 25.319 ( -2.968 0.638 0.000) 3.036 25.347 ( -2.279 -1.934 0.000) 2.988 ======================= Grid point 24 (16/64) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 8.672 6.757 0.000) 10.993 1.585 ( 5.956 12.124 0.000) 13.508 1.636 ( 8.170 -5.705 0.000) 9.965 1.687 ( -4.051 3.927 0.000) 5.642 1.707 ( -1.459 6.511 0.000) 6.672 1.780 ( -3.272 -4.335 0.000) 5.431 1.818 ( -2.198 -7.907 0.000) 8.207 1.822 ( 1.067 -3.737 0.000) 3.886 2.364 ( 2.402 6.708 0.000) 7.125 2.381 ( 0.303 8.281 0.000) 8.286 2.480 ( 3.700 -3.846 0.000) 5.337 2.537 ( -1.965 -6.352 0.000) 6.649 3.067 ( 8.699 13.966 0.000) 16.453 3.201 ( -1.754 5.737 0.000) 5.999 3.244 ( 0.748 6.342 0.000) 6.386 3.299 ( -1.716 0.261 0.000) 1.736 3.328 ( 2.582 1.844 0.000) 3.173 3.356 ( -3.790 10.863 0.000) 11.505 3.395 ( 5.491 0.159 0.000) 5.493 3.566 ( -8.140 -5.128 0.000) 9.621 3.614 ( 2.609 3.066 0.000) 4.026 3.697 ( -5.302 7.575 0.000) 9.246 3.730 ( 4.702 -6.379 0.000) 7.925 3.827 ( -4.155 -6.558 0.000) 7.763 4.009 ( 4.250 11.175 0.000) 11.956 4.075 ( -1.979 16.381 0.000) 16.500 4.290 ( 6.966 -3.660 0.000) 7.869 4.430 ( -6.583 -5.059 0.000) 8.303 4.699 ( 3.222 -4.602 0.000) 5.618 4.741 ( -1.389 -5.826 0.000) 5.989 4.794 ( 1.716 -11.537 0.000) 11.664 4.863 ( -4.765 -8.210 0.000) 9.493 6.070 ( 1.776 8.256 0.000) 8.445 6.126 ( -3.509 8.326 0.000) 9.035 6.182 ( 1.927 -3.001 0.000) 3.566 6.241 ( -3.666 -3.051 0.000) 4.770 6.566 ( -0.069 1.062 0.000) 1.064 6.567 ( -0.143 1.731 0.000) 1.736 6.611 ( 0.388 -3.119 0.000) 3.143 6.625 ( -0.865 -3.852 0.000) 3.948 6.951 ( 3.408 4.176 0.000) 5.390 7.001 ( -1.573 4.774 0.000) 5.027 7.074 ( 4.153 -7.622 0.000) 8.680 7.129 ( -1.496 -7.493 0.000) 7.641 8.642 ( 6.362 3.758 0.000) 7.389 8.721 ( 6.654 -3.894 0.000) 7.710 8.764 ( -5.680 4.082 0.000) 6.995 8.849 ( -5.996 -4.128 0.000) 7.279 9.935 ( 1.961 8.215 0.000) 8.446 9.984 ( -2.920 8.490 0.000) 8.978 10.073 ( 2.281 -4.773 0.000) 5.290 10.124 ( -2.732 -4.600 0.000) 5.350 12.385 ( 5.258 3.667 0.000) 6.411 12.474 ( -3.612 2.463 0.000) 4.372 12.479 ( 3.828 -5.440 0.000) 6.652 12.535 ( -1.954 -3.409 0.000) 3.929 14.600 ( 4.924 6.627 0.000) 8.256 14.699 ( -4.767 6.365 0.000) 7.952 14.780 ( 4.965 -11.258 0.000) 12.304 14.868 ( -3.637 -10.256 0.000) 10.882 20.403 ( 11.965 22.105 0.000) 25.135 20.694 ( -17.111 21.495 0.000) 27.474 20.773 ( 11.289 -13.212 0.000) 17.378 21.034 ( -14.790 -10.899 0.000) 18.372 22.454 ( -0.240 28.878 0.000) 28.879 22.457 ( -0.540 32.518 0.000) 32.523 23.009 ( 4.021 -23.950 0.000) 24.286 23.087 ( -3.829 -27.475 0.000) 27.741 25.173 ( 3.604 2.548 0.000) 4.414 25.249 ( 2.385 -4.614 0.000) 5.194 25.249 ( -3.842 1.450 0.000) 4.107 25.298 ( -2.513 -3.180 0.000) 4.053 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 0.000 16.393) 16.393 0.417 ( 0.000 0.000 22.598) 22.598 0.786 ( 0.000 0.000 39.702) 39.702 0.975 ( 0.000 0.000 -1.631) 1.631 1.663 ( 0.000 0.000 -8.417) 8.417 1.666 ( 0.000 0.000 -1.424) 1.424 1.793 ( 0.000 0.000 12.580) 12.580 1.859 ( 0.000 0.000 -3.442) 3.442 1.897 ( 0.000 0.000 9.262) 9.262 2.032 ( 0.000 0.000 5.653) 5.653 2.128 ( 0.000 0.000 0.212) 0.212 2.284 ( 0.000 0.000 -5.151) 5.151 2.533 ( 0.000 0.000 -0.728) 0.728 2.543 ( 0.000 0.000 5.046) 5.046 2.759 ( 0.000 0.000 2.450) 2.450 2.779 ( 0.000 0.000 6.585) 6.585 2.948 ( 0.000 0.000 -6.437) 6.437 2.954 ( 0.000 0.000 -12.119) 12.119 3.188 ( 0.000 0.000 4.025) 4.025 3.356 ( 0.000 0.000 9.473) 9.473 3.486 ( 0.000 0.000 12.909) 12.909 3.499 ( 0.000 0.000 6.962) 6.962 3.620 ( 0.000 0.000 -13.504) 13.504 4.027 ( 0.000 0.000 -15.473) 15.473 4.121 ( 0.000 0.000 -3.361) 3.361 4.202 ( 0.000 0.000 0.894) 0.894 4.394 ( 0.000 0.000 -4.385) 4.385 4.524 ( 0.000 0.000 0.954) 0.954 4.683 ( 0.000 0.000 0.885) 0.885 5.125 ( 0.000 0.000 -9.755) 9.755 5.323 ( 0.000 0.000 1.731) 1.731 5.601 ( 0.000 0.000 3.621) 3.621 5.763 ( 0.000 0.000 -0.765) 0.765 5.883 ( 0.000 0.000 -4.825) 4.825 6.077 ( 0.000 0.000 0.953) 0.953 6.280 ( 0.000 0.000 -2.452) 2.452 6.586 ( 0.000 0.000 -4.203) 4.203 6.643 ( 0.000 0.000 -2.070) 2.070 6.824 ( 0.000 0.000 1.735) 1.735 6.930 ( 0.000 0.000 8.680) 8.680 6.941 ( 0.000 0.000 1.006) 1.006 7.208 ( 0.000 0.000 5.457) 5.457 7.342 ( 0.000 0.000 -0.256) 0.256 8.188 ( 0.000 0.000 -9.900) 9.900 8.283 ( 0.000 0.000 2.086) 2.086 8.563 ( 0.000 0.000 -2.657) 2.657 8.801 ( 0.000 0.000 3.409) 3.409 9.019 ( 0.000 0.000 0.255) 0.255 9.543 ( 0.000 0.000 -0.146) 0.146 9.612 ( 0.000 0.000 -1.561) 1.561 9.983 ( 0.000 0.000 0.771) 0.771 10.069 ( 0.000 0.000 -0.558) 0.558 12.033 ( 0.000 0.000 2.891) 2.891 12.273 ( 0.000 0.000 -1.202) 1.202 12.564 ( 0.000 0.000 0.111) 0.111 12.593 ( 0.000 0.000 -0.332) 0.332 14.299 ( 0.000 0.000 2.712) 2.712 14.720 ( 0.000 0.000 -5.098) 5.098 15.037 ( 0.000 0.000 4.237) 4.237 15.420 ( 0.000 0.000 -3.033) 3.033 19.145 ( 0.000 0.000 0.071) 0.071 19.153 ( 0.000 0.000 -0.056) 0.056 20.463 ( 0.000 0.000 0.532) 0.532 20.541 ( 0.000 0.000 -0.722) 0.722 22.257 ( 0.000 0.000 3.635) 3.635 22.831 ( 0.000 0.000 -6.395) 6.395 23.134 ( 0.000 0.000 7.590) 7.590 24.182 ( 0.000 0.000 -11.319) 11.319 25.057 ( 0.000 0.000 7.282) 7.282 25.431 ( 0.000 0.000 -1.033) 1.033 25.588 ( 0.000 0.000 8.520) 8.520 26.452 ( 0.000 0.000 -5.821) 5.821 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 5.439 0.000 13.277) 14.348 0.493 ( 12.967 0.000 15.662) 20.333 0.963 ( -1.301 0.000 -1.513) 1.996 1.070 ( 20.554 0.000 30.773) 37.006 1.643 ( -0.704 0.000 -4.736) 4.788 1.663 ( -0.102 0.000 -1.320) 1.324 1.851 ( -1.130 0.000 -0.102) 1.135 1.859 ( 2.415 0.000 7.564) 7.940 1.887 ( -0.435 0.000 5.150) 5.169 1.945 ( -3.694 0.000 9.140) 9.858 2.107 ( -2.365 0.000 -0.131) 2.368 2.346 ( 1.484 0.000 -9.970) 10.080 2.547 ( 1.153 0.000 3.056) 3.266 2.563 ( 3.294 0.000 1.171) 3.496 2.777 ( -0.178 0.000 5.752) 5.755 2.781 ( 1.915 0.000 2.815) 3.404 3.005 ( 4.653 0.000 -11.689) 12.581 3.032 ( 6.527 0.000 -7.199) 9.717 3.185 ( -1.295 0.000 2.913) 3.188 3.444 ( 8.066 0.000 6.698) 10.485 3.453 ( -4.357 0.000 6.475) 7.805 3.528 ( 3.671 0.000 9.004) 9.723 3.696 ( 7.061 0.000 -12.900) 14.706 3.951 ( -5.627 0.000 -11.751) 13.029 4.130 ( 0.794 0.000 -2.562) 2.682 4.215 ( 1.162 0.000 0.244) 1.187 4.405 ( 0.859 0.000 -2.313) 2.468 4.454 ( -6.473 0.000 2.328) 6.879 4.685 ( 0.193 0.000 0.725) 0.750 5.084 ( -4.034 0.000 -8.977) 9.841 5.338 ( 1.407 0.000 2.555) 2.916 5.600 ( 0.015 0.000 3.252) 3.252 5.751 ( -1.202 0.000 -0.682) 1.382 5.826 ( -3.236 0.000 -4.548) 5.582 6.120 ( 1.692 0.000 -0.278) 1.715 6.288 ( 0.460 0.000 -2.194) 2.242 6.563 ( -0.561 0.000 -3.821) 3.862 6.673 ( 1.457 0.000 -3.849) 4.116 6.724 ( -6.277 0.000 3.906) 7.393 6.925 ( -0.676 0.000 9.365) 9.389 6.937 ( -1.406 0.000 8.907) 9.018 7.143 ( -4.526 0.000 5.375) 7.027 7.415 ( 4.969 0.000 -0.510) 4.995 7.841 ( -16.717 0.000 2.666) 16.928 8.308 ( 2.459 0.000 2.184) 3.289 8.597 ( 3.352 0.000 -2.755) 4.339 8.771 ( -2.913 0.000 3.329) 4.424 9.014 ( -0.635 0.000 -0.162) 0.656 9.537 ( -0.483 0.000 -0.122) 0.498 9.602 ( -1.025 0.000 -0.819) 1.312 9.991 ( 0.763 0.000 0.537) 0.933 10.069 ( -0.084 0.000 -0.574) 0.580 12.064 ( 3.952 0.000 2.119) 4.484 12.501 ( 2.466 0.000 -4.667) 5.278 12.595 ( 1.081 0.000 -1.368) 1.743 12.665 ( 10.079 0.000 -12.258) 15.870 14.308 ( 1.295 0.000 2.535) 2.846 14.734 ( -2.261 0.000 -1.802) 2.891 15.197 ( 9.983 0.000 -8.563) 13.153 15.542 ( 9.223 0.000 -15.332) 17.892 19.148 ( 0.255 0.000 0.068) 0.264 19.155 ( 0.199 0.000 -0.050) 0.206 20.465 ( 0.231 0.000 0.472) 0.526 20.535 ( -0.533 0.000 -0.657) 0.846 22.172 ( -22.040 0.000 23.978) 32.568 22.223 ( -15.505 0.000 16.923) 22.952 23.347 ( 8.754 0.000 -5.663) 10.426 24.136 ( -4.693 0.000 -10.651) 11.639 25.095 ( 2.914 0.000 5.936) 6.613 25.435 ( 0.319 0.000 -0.798) 0.859 25.557 ( -3.100 0.000 7.903) 8.489 25.867 ( -27.451 0.000 24.466) 36.771 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.841 0.000 8.157) 11.315 0.849 ( 19.630 0.000 2.793) 19.827 0.917 ( -3.384 0.000 -0.818) 3.482 1.439 ( 13.353 0.000 22.729) 26.361 1.650 ( 1.457 0.000 0.054) 1.458 1.671 ( 1.072 0.000 -0.945) 1.429 1.766 ( -6.185 0.000 1.523) 6.370 1.813 ( -2.407 0.000 2.735) 3.644 1.889 ( 0.570 0.000 0.940) 1.099 2.020 ( 6.535 0.000 11.181) 12.951 2.038 ( -4.154 0.000 -0.571) 4.193 2.305 ( -4.486 0.000 -2.523) 5.147 2.626 ( 6.467 0.000 -1.603) 6.663 2.657 ( 5.150 0.000 4.305) 6.712 2.770 ( -0.429 0.000 5.411) 5.428 2.838 ( 4.245 0.000 2.437) 4.894 3.051 ( -2.624 0.000 -4.886) 5.546 3.155 ( 5.335 0.000 -5.834) 7.906 3.216 ( 7.187 0.000 -7.823) 10.623 3.331 ( -7.646 0.000 6.313) 9.915 3.565 ( 0.678 0.000 -5.337) 5.380 3.616 ( 3.610 0.000 2.711) 4.514 3.871 ( 0.372 0.000 -1.931) 1.966 3.878 ( 10.412 0.000 -12.357) 16.159 4.159 ( 2.011 0.000 0.063) 2.012 4.236 ( 0.474 0.000 -2.075) 2.128 4.301 ( -7.621 0.000 6.684) 10.137 4.408 ( -1.161 0.000 2.432) 2.695 4.693 ( 0.790 0.000 0.418) 0.894 4.972 ( -6.875 0.000 -6.632) 9.552 5.384 ( 3.418 0.000 3.559) 4.935 5.607 ( 0.766 0.000 2.287) 2.412 5.718 ( -2.043 0.000 -0.383) 2.079 5.753 ( -4.793 0.000 -2.980) 5.644 6.135 ( 0.511 0.000 -0.361) 0.625 6.277 ( -1.864 0.000 -0.997) 2.114 6.591 ( 2.919 0.000 -0.357) 2.941 6.632 ( -1.776 0.000 1.829) 2.550 6.695 ( 0.253 0.000 -6.568) 6.573 6.864 ( -4.411 0.000 11.860) 12.653 6.920 ( -0.472 0.000 6.399) 6.416 7.057 ( -4.369 0.000 6.304) 7.670 7.501 ( 3.496 0.000 -1.728) 3.900 7.651 ( -4.556 0.000 -6.855) 8.230 8.377 ( 4.417 0.000 2.412) 5.033 8.683 ( 1.777 0.000 -1.031) 2.054 8.698 ( -1.000 0.000 1.261) 1.609 8.984 ( -2.503 0.000 -1.243) 2.795 9.528 ( -0.256 0.000 0.256) 0.362 9.576 ( -1.464 0.000 0.487) 1.543 10.010 ( 1.156 0.000 0.095) 1.160 10.065 ( -0.363 0.000 -0.575) 0.680 12.173 ( 6.444 0.000 1.815) 6.695 12.485 ( -2.431 0.000 -0.409) 2.465 12.623 ( 1.889 0.000 -1.524) 2.427 12.763 ( 0.446 0.000 -9.094) 9.105 14.352 ( 3.072 0.000 2.315) 3.846 14.648 ( -5.500 0.000 1.106) 5.610 15.357 ( 6.917 0.000 -6.853) 9.737 15.647 ( 0.697 0.000 -16.989) 17.004 19.154 ( 0.351 0.000 0.057) 0.355 19.160 ( 0.216 0.000 -0.031) 0.218 20.472 ( 0.499 0.000 0.304) 0.584 20.521 ( -0.874 0.000 -0.477) 0.996 21.815 ( -7.456 0.000 28.371) 29.334 22.070 ( -7.974 0.000 6.395) 10.222 23.505 ( 7.785 0.000 -5.928) 9.785 24.005 ( -7.955 0.000 -9.170) 12.140 25.155 ( 3.158 0.000 6.068) 6.841 25.443 ( -0.027 0.000 1.235) 1.235 25.465 ( -5.163 0.000 6.545) 8.336 25.573 ( -6.126 0.000 10.970) 12.565 ======================= Grid point 52 (20/64) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 7.682 0.000 3.995) 8.659 0.825 ( -5.863 0.000 0.985) 5.946 1.211 ( 15.850 0.000 -0.585) 15.861 1.465 ( -8.934 0.000 3.242) 9.504 1.702 ( 3.376 0.000 4.585) 5.694 1.707 ( 2.438 0.000 -0.139) 2.442 1.738 ( 0.792 0.000 11.372) 11.400 1.761 ( -2.764 0.000 1.380) 3.089 1.910 ( 1.641 0.000 0.457) 1.703 1.959 ( -3.333 0.000 -0.132) 3.336 2.137 ( 4.621 0.000 9.118) 10.222 2.214 ( -3.927 0.000 3.337) 5.153 2.731 ( 2.189 0.000 4.965) 5.427 2.758 ( -0.823 0.000 4.902) 4.970 2.783 ( 8.756 0.000 -2.627) 9.142 2.947 ( -7.034 0.000 -1.067) 7.115 2.970 ( 8.682 0.000 4.098) 9.601 3.157 ( -9.480 0.000 5.694) 11.059 3.276 ( 6.772 0.000 -11.149) 13.045 3.363 ( 3.605 0.000 -9.545) 10.203 3.502 ( -2.696 0.000 -13.972) 14.230 3.582 ( -5.271 0.000 -6.120) 8.077 3.993 ( 8.400 0.000 9.208) 12.464 4.080 ( 8.995 0.000 -10.640) 13.933 4.137 ( -5.759 0.000 7.353) 9.340 4.209 ( -3.696 0.000 -6.484) 7.464 4.250 ( 3.806 0.000 7.730) 8.616 4.347 ( -4.736 0.000 5.039) 6.916 4.730 ( 3.280 0.000 -0.304) 3.294 4.831 ( -6.614 0.000 -3.053) 7.284 5.484 ( 6.531 0.000 2.657) 7.050 5.628 ( -7.346 0.000 0.317) 7.353 5.632 ( 1.760 0.000 1.154) 2.104 5.673 ( -2.263 0.000 0.220) 2.274 6.160 ( 2.198 0.000 -0.214) 2.209 6.219 ( -3.431 0.000 0.081) 3.432 6.616 ( 1.220 0.000 0.465) 1.306 6.647 ( -0.856 0.000 -1.304) 1.560 6.722 ( 3.847 0.000 -1.744) 4.224 6.793 ( -2.819 0.000 8.843) 9.282 6.916 ( 0.551 0.000 3.238) 3.284 6.965 ( -4.295 0.000 3.210) 5.362 7.557 ( 2.293 0.000 -4.414) 4.974 7.597 ( -1.827 0.000 -7.061) 7.293 8.478 ( 5.462 0.000 2.669) 6.079 8.589 ( -5.510 0.000 2.895) 6.224 8.805 ( 5.854 0.000 -2.845) 6.509 8.912 ( -4.660 0.000 -2.326) 5.208 9.530 ( 0.500 0.000 0.910) 1.039 9.548 ( -1.207 0.000 1.141) 1.661 10.034 ( 1.123 0.000 -0.264) 1.153 10.053 ( -0.786 0.000 -0.484) 0.923 12.304 ( 6.324 0.000 1.411) 6.479 12.415 ( -4.616 0.000 0.654) 4.662 12.672 ( 2.924 0.000 -2.653) 3.948 12.732 ( -2.800 0.000 -4.825) 5.579 14.429 ( 4.614 0.000 2.178) 5.102 14.533 ( -5.663 0.000 1.868) 5.963 15.489 ( 6.238 0.000 -7.650) 9.870 15.600 ( -4.566 0.000 -11.241) 12.133 19.161 ( 0.227 0.000 0.033) 0.230 19.163 ( 0.025 0.000 -0.000) 0.025 20.485 ( 0.772 0.000 0.057) 0.774 20.502 ( -0.938 0.000 -0.221) 0.964 21.792 ( 3.452 0.000 16.581) 16.936 21.909 ( -7.572 0.000 9.912) 12.473 23.666 ( 8.316 0.000 -6.746) 10.708 23.836 ( -8.683 0.000 -7.889) 11.732 25.231 ( 4.684 0.000 6.248) 7.809 25.340 ( -5.969 0.000 6.633) 8.923 25.469 ( 1.402 0.000 1.034) 1.742 25.503 ( -2.124 0.000 3.650) 4.223 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 7.350 17.779) 19.239 0.848 ( 0.000 6.170 33.303) 33.870 1.187 ( 0.000 48.912 4.029) 49.078 1.413 ( 0.000 26.249 -0.336) 26.251 1.585 ( 0.000 -5.689 -8.092) 9.891 1.703 ( 0.000 -1.391 10.423) 10.515 1.793 ( 0.000 11.042 -0.660) 11.062 1.942 ( 0.000 2.219 7.942) 8.246 2.014 ( 0.000 2.052 8.719) 8.957 2.014 ( 0.000 10.944 -1.254) 11.016 2.161 ( 0.000 4.723 1.878) 5.083 2.266 ( 0.000 -0.983 -5.412) 5.501 2.399 ( 0.000 -8.675 6.155) 10.637 2.806 ( 0.000 15.619 -8.085) 17.587 2.895 ( 0.000 9.605 -0.531) 9.620 2.941 ( 0.000 -1.170 -11.180) 11.241 2.941 ( 0.000 0.475 -7.259) 7.275 3.043 ( 0.000 17.549 0.231) 17.551 3.164 ( 0.000 -1.552 5.375) 5.595 3.373 ( 0.000 2.360 8.574) 8.893 3.398 ( 0.000 -6.065 6.115) 8.613 3.553 ( 0.000 5.107 6.705) 8.428 3.607 ( 0.000 -1.768 -6.191) 6.438 4.034 ( 0.000 0.526 -10.753) 10.766 4.104 ( 0.000 -1.340 0.008) 1.340 4.192 ( 0.000 -10.086 -6.474) 11.985 4.247 ( 0.000 3.901 -3.346) 5.139 4.540 ( 0.000 1.468 -0.821) 1.682 4.887 ( 0.000 -14.972 -1.641) 15.062 4.937 ( 0.000 11.853 -6.876) 13.703 5.435 ( 0.000 -9.582 1.537) 9.704 5.575 ( 0.000 11.225 -2.045) 11.409 5.579 ( 0.000 -15.548 -0.443) 15.555 5.939 ( 0.000 5.467 -5.015) 7.419 6.145 ( 0.000 5.199 0.905) 5.277 6.333 ( 0.000 2.411 -0.755) 2.527 6.581 ( 0.000 -0.600 -4.811) 4.849 6.618 ( 0.000 -2.654 -2.300) 3.511 6.788 ( 0.000 -5.287 3.705) 6.456 6.897 ( 0.000 -4.133 -0.447) 4.158 6.929 ( 0.000 -0.308 9.292) 9.297 7.098 ( 0.000 -32.595 32.880) 46.298 7.141 ( 0.000 -5.233 4.640) 6.994 7.330 ( 0.000 -5.275 0.733) 5.326 8.316 ( 0.000 2.678 2.910) 3.955 8.589 ( 0.000 -0.985 0.840) 1.295 8.822 ( 0.000 1.887 2.795) 3.372 9.180 ( 0.000 -0.325 -5.938) 5.947 9.601 ( 0.000 5.356 0.336) 5.366 9.982 ( 0.000 10.529 -13.533) 17.147 10.015 ( 0.000 2.925 0.711) 3.010 10.107 ( 0.000 4.722 -2.953) 5.569 12.029 ( 0.000 0.374 1.957) 1.992 12.263 ( 0.000 -0.962 -1.345) 1.654 12.557 ( 0.000 -0.130 0.747) 0.759 12.593 ( 0.000 -0.029 -0.277) 0.278 14.311 ( 0.000 1.354 2.265) 2.639 14.717 ( 0.000 -0.471 -5.569) 5.589 14.976 ( 0.000 -5.248 4.604) 6.981 15.255 ( 0.000 -9.411 1.637) 9.552 19.297 ( 0.000 13.385 0.668) 13.401 20.095 ( 0.000 47.059 -48.985) 67.927 20.637 ( 0.000 18.354 -2.599) 18.537 20.693 ( 0.000 14.162 -0.660) 14.178 22.235 ( 0.000 -1.902 3.023) 3.572 22.799 ( 0.000 -3.124 -7.040) 7.702 22.949 ( 0.000 -12.469 17.937) 21.845 24.075 ( 0.000 -10.405 -10.179) 14.556 25.049 ( 0.000 -0.673 6.443) 6.478 25.396 ( 0.000 -3.382 -0.956) 3.514 25.570 ( 0.000 -1.534 8.536) 8.673 25.934 ( 0.000 -25.428 26.093) 36.434 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 9.924 7.296 12.365) 17.453 1.083 ( 16.235 6.336 26.540) 31.750 1.218 ( 3.970 43.638 3.817) 43.984 1.417 ( 0.234 28.102 -0.128) 28.103 1.573 ( -0.325 -4.486 -4.418) 6.305 1.770 ( 4.777 -2.043 7.793) 9.366 1.772 ( -1.387 9.624 -0.257) 9.727 1.911 ( -6.819 0.166 6.600) 9.491 1.955 ( 0.113 6.973 7.181) 10.010 2.038 ( 2.023 10.243 -0.011) 10.441 2.096 ( -4.234 1.241 1.162) 4.563 2.312 ( 2.814 -0.871 -3.462) 4.546 2.446 ( 3.454 -4.816 4.468) 7.422 2.806 ( -0.241 15.003 -5.450) 15.964 2.913 ( 1.607 9.682 -0.311) 9.819 2.986 ( 2.107 7.199 -2.842) 8.022 3.003 ( 5.284 -0.363 -10.976) 12.187 3.037 ( 2.170 8.139 -3.108) 8.978 3.141 ( -2.487 -2.619 4.924) 6.107 3.407 ( 3.452 -2.824 3.359) 5.583 3.490 ( 6.698 -0.891 6.701) 9.516 3.523 ( -1.697 5.254 6.762) 8.730 3.670 ( 5.746 -2.468 -6.815) 9.250 3.967 ( -5.180 1.272 -10.426) 11.711 4.075 ( -2.359 -3.149 -1.694) 4.284 4.190 ( 0.246 -9.201 -1.091) 9.269 4.303 ( 3.865 3.282 -2.745) 5.765 4.474 ( -6.089 1.809 -0.068) 6.353 4.867 ( -1.867 -13.349 -1.472) 13.560 4.923 ( -0.954 11.374 -3.611) 11.971 5.436 ( 0.093 -9.245 0.817) 9.281 5.565 ( -0.928 -5.758 -0.751) 5.880 5.581 ( -0.017 1.056 -0.620) 1.225 5.879 ( -3.634 5.283 -3.657) 7.382 6.168 ( 0.483 3.489 0.652) 3.582 6.332 ( -0.391 2.327 -1.465) 2.777 6.557 ( -0.482 -0.643 -3.800) 3.884 6.651 ( 1.156 -3.378 -2.547) 4.385 6.688 ( -4.296 -2.226 3.282) 5.846 6.910 ( -1.817 -2.171 11.348) 11.696 6.928 ( -0.122 -0.123 8.555) 8.557 7.094 ( -3.495 -4.225 5.000) 7.421 7.242 ( 9.615 -28.356 6.552) 30.650 7.366 ( 2.824 -5.388 -0.425) 6.098 8.342 ( 2.582 2.794 2.886) 4.775 8.615 ( 2.676 -0.561 -0.025) 2.734 8.800 ( -2.234 2.086 2.733) 4.100 9.126 ( -4.536 1.591 -4.524) 6.601 9.599 ( -0.173 5.496 0.449) 5.517 9.817 ( -9.136 11.807 -4.320) 15.542 10.053 ( 1.015 3.577 -1.668) 4.075 10.097 ( -0.467 4.328 -0.692) 4.408 12.071 ( 4.126 0.738 1.606) 4.489 12.457 ( 9.167 -5.456 -7.444) 13.008 12.568 ( 2.425 -2.579 -0.555) 3.584 12.602 ( 1.337 -0.893 -0.458) 1.672 14.324 ( 1.470 1.565 2.164) 3.049 14.730 ( -1.328 -0.229 -2.712) 3.028 15.075 ( 9.127 -10.785 -4.090) 14.709 15.300 ( 4.053 -12.551 -0.021) 13.190 19.306 ( 0.891 13.970 0.564) 14.010 19.948 ( -13.070 47.601 -35.687) 60.912 20.618 ( -0.723 13.240 0.721) 13.279 20.710 ( 0.646 17.315 -3.338) 17.645 22.178 ( -7.181 -0.436 5.358) 8.971 22.224 ( -26.962 1.922 28.562) 39.325 23.240 ( 11.134 -9.117 -3.800) 14.884 24.034 ( -4.215 -10.017 -9.561) 14.475 25.079 ( 2.531 -1.240 5.709) 6.367 25.400 ( 0.404 -3.323 -0.748) 3.430 25.539 ( -3.115 -1.538 8.020) 8.740 25.717 ( -13.559 -9.843 22.576) 28.114 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 17.084 4.642 2.475) 17.875 1.251 ( 4.544 39.609 5.302) 40.220 1.400 ( 1.315 24.225 3.022) 24.449 1.433 ( 6.869 8.276 10.934) 15.338 1.586 ( 1.686 -2.433 1.483) 3.311 1.743 ( -2.863 2.188 4.551) 5.805 1.774 ( -1.118 7.898 1.007) 8.040 1.883 ( 2.248 -2.762 4.976) 6.119 1.948 ( 0.168 11.159 4.119) 11.896 2.041 ( -1.201 0.562 0.958) 1.636 2.090 ( 3.164 9.464 2.820) 10.370 2.304 ( -2.923 0.274 0.016) 2.936 2.566 ( 8.200 -2.001 2.465) 8.793 2.811 ( 1.136 10.277 -0.649) 10.360 2.938 ( -0.404 11.957 2.026) 12.135 2.982 ( 0.161 8.947 1.759) 9.120 3.053 ( -2.892 3.702 -0.336) 4.710 3.150 ( 6.553 -0.409 -8.415) 10.673 3.158 ( 6.631 -3.581 -7.485) 10.621 3.394 ( -4.076 4.450 2.294) 6.456 3.531 ( 1.520 -1.753 -2.763) 3.608 3.613 ( 2.101 -0.248 1.188) 2.426 3.821 ( 8.832 -4.691 -5.939) 11.632 3.894 ( 0.271 1.597 -6.024) 6.238 4.038 ( -0.546 -5.377 1.063) 5.508 4.201 ( 0.510 -9.323 3.558) 9.992 4.327 ( -6.619 2.467 3.824) 8.033 4.358 ( -0.112 2.356 -3.309) 4.063 4.825 ( -1.889 -9.259 -1.129) 9.517 4.897 ( -1.858 10.612 -0.812) 10.804 5.445 ( 1.042 -10.031 0.228) 10.088 5.544 ( -1.206 -11.769 -0.093) 11.831 5.579 ( 0.262 6.980 1.113) 7.073 5.809 ( -4.024 5.659 -1.990) 7.223 6.163 ( -0.186 1.862 0.351) 1.904 6.303 ( -2.598 1.600 -1.087) 3.239 6.579 ( 1.861 -1.375 0.948) 2.500 6.619 ( -0.646 -1.563 0.090) 1.693 6.684 ( 0.504 -0.880 -7.024) 7.097 6.843 ( -3.896 -2.081 12.204) 12.979 6.927 ( -0.074 0.626 6.092) 6.124 7.022 ( -3.728 -2.837 5.393) 7.144 7.383 ( 4.455 -17.549 -5.664) 18.971 7.425 ( 2.803 -7.068 -1.962) 7.853 8.415 ( 4.544 3.035 2.785) 6.133 8.688 ( 3.233 -0.030 -1.091) 3.412 8.739 ( -2.541 2.511 2.360) 4.282 9.030 ( -4.853 1.629 -2.930) 5.899 9.596 ( -0.064 5.896 0.672) 5.935 9.686 ( -4.335 9.032 -0.461) 10.029 10.067 ( 0.548 3.222 -1.016) 3.423 10.090 ( -0.264 3.604 -0.269) 3.623 12.180 ( 6.419 0.767 1.520) 6.641 12.486 ( -2.105 0.043 -0.868) 2.277 12.612 ( 1.552 -1.184 -1.677) 2.573 12.677 ( 2.832 -6.904 -5.559) 9.305 14.371 ( 3.171 1.772 2.084) 4.188 14.659 ( -4.968 1.118 0.564) 5.123 15.245 ( 6.812 -11.277 -7.370) 15.096 15.384 ( 3.279 -17.555 -5.071) 18.565 19.333 ( 1.897 15.919 0.172) 16.033 19.675 ( -12.303 38.733 -13.943) 42.965 20.622 ( 0.993 12.084 0.363) 12.130 20.708 ( -0.797 17.586 -3.093) 17.874 21.854 ( -8.449 4.816 26.357) 28.094 22.053 ( -7.492 -1.120 5.903) 9.604 23.425 ( 8.344 -7.601 -5.524) 12.566 23.914 ( -7.372 -8.942 -8.332) 14.273 25.137 ( 3.337 -1.413 5.693) 6.748 25.412 ( 0.673 -2.986 0.396) 3.086 25.447 ( -5.491 -1.533 7.348) 9.301 25.540 ( -4.812 -2.768 10.029) 11.463 ======================= Grid point 59 (24/64) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 12.974 8.993 0.299) 15.789 1.324 ( -2.890 28.656 2.312) 28.894 1.366 ( 2.393 27.620 -0.282) 27.725 1.461 ( -3.956 8.752 2.076) 9.827 1.635 ( 3.089 -2.028 4.908) 6.144 1.688 ( -1.886 0.028 4.833) 5.188 1.815 ( 2.046 6.724 5.293) 8.798 1.856 ( -2.423 5.528 3.072) 6.772 1.998 ( 2.409 6.342 0.772) 6.827 2.025 ( -0.670 5.736 0.839) 5.835 2.168 ( 4.120 5.663 6.601) 9.624 2.238 ( -3.190 3.293 3.490) 5.762 2.742 ( 8.940 -1.124 1.248) 9.096 2.849 ( 2.289 6.628 2.592) 7.476 2.893 ( -3.790 9.721 5.207) 11.661 2.922 ( -5.519 -0.894 -0.815) 5.650 3.079 ( 5.205 9.487 1.871) 10.981 3.194 ( -4.622 2.687 1.390) 5.524 3.294 ( 7.532 2.381 -11.740) 14.151 3.385 ( 3.076 3.051 -6.481) 7.796 3.485 ( -3.907 -1.215 -13.520) 14.126 3.558 ( -5.806 -2.249 -6.781) 9.205 3.973 ( 5.791 -5.187 3.319) 8.453 3.990 ( 5.102 -6.915 -6.431) 10.733 4.068 ( 3.304 -0.569 7.573) 8.282 4.167 ( -5.319 -1.042 9.091) 10.584 4.245 ( 1.000 -3.904 0.240) 4.037 4.316 ( -4.173 -1.993 -1.686) 4.923 4.811 ( 0.702 -0.664 -0.748) 1.222 4.849 ( -2.676 7.039 -0.240) 7.534 5.478 ( 1.992 -12.703 0.126) 12.859 5.515 ( -1.662 -13.862 0.015) 13.961 5.613 ( 3.455 9.664 1.965) 10.449 5.710 ( -5.559 7.765 0.702) 9.576 6.179 ( 1.957 1.235 0.001) 2.315 6.238 ( -3.543 1.186 -0.025) 3.736 6.600 ( 1.284 -1.529 0.060) 1.998 6.631 ( -0.917 -1.481 -1.807) 2.510 6.709 ( 3.293 -1.562 -1.764) 4.049 6.778 ( -2.931 -1.606 8.021) 8.689 6.926 ( 0.206 0.918 3.260) 3.393 6.952 ( -2.722 -0.795 2.914) 4.066 7.443 ( 1.906 -10.894 -5.775) 12.477 7.459 ( 0.410 -9.305 -4.271) 10.246 8.517 ( 5.487 3.174 2.609) 6.855 8.626 ( -5.319 2.989 2.340) 6.534 8.814 ( 5.827 0.098 -1.887) 6.126 8.928 ( -5.453 0.539 -2.421) 5.991 9.601 ( 0.662 6.332 0.878) 6.427 9.626 ( -1.964 7.067 0.712) 7.369 10.077 ( 0.439 3.029 -0.699) 3.139 10.085 ( -0.325 3.095 -0.439) 3.143 12.310 ( 6.246 0.655 1.209) 6.396 12.419 ( -4.503 0.462 0.486) 4.553 12.649 ( 2.080 -2.160 -2.395) 3.838 12.686 ( -1.276 -4.138 -3.895) 5.824 14.449 ( 4.631 1.905 1.953) 5.375 14.552 ( -5.459 1.762 1.562) 5.946 15.352 ( 4.094 -12.215 -6.477) 14.419 15.406 ( -1.071 -15.659 -6.721) 17.074 19.385 ( 3.532 19.930 -0.900) 20.260 19.485 ( -6.857 27.328 -4.096) 28.471 20.650 ( 1.648 13.875 -0.781) 13.994 20.683 ( -1.563 16.072 -1.903) 16.260 21.808 ( 2.332 2.629 15.986) 16.368 21.906 ( -6.756 0.426 9.511) 11.674 23.589 ( 8.248 -7.463 -6.373) 12.820 23.755 ( -8.316 -7.986 -7.291) 13.642 25.218 ( 4.821 -1.145 5.874) 7.685 25.326 ( -5.875 -1.142 6.443) 8.794 25.440 ( 1.510 -2.750 1.022) 3.300 25.476 ( -2.200 -2.446 3.759) 4.995 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 14.264 6.862) 15.829 1.015 ( 0.000 8.626 19.085) 20.944 1.488 ( 0.000 -2.286 -5.853) 6.284 1.533 ( 0.000 -2.224 4.067) 4.636 1.814 ( 0.000 1.345 14.895) 14.956 1.881 ( 0.000 12.395 1.208) 12.453 1.954 ( 0.000 -3.181 3.689) 4.871 2.095 ( 0.000 15.592 -0.302) 15.595 2.100 ( 0.000 -1.074 -3.448) 3.611 2.104 ( 0.000 0.799 15.303) 15.324 2.267 ( 0.000 0.914 -4.149) 4.249 2.366 ( 0.000 18.914 6.539) 20.013 2.601 ( 0.000 24.763 1.097) 24.787 2.894 ( 0.000 0.613 -10.798) 10.816 2.921 ( 0.000 -0.261 -10.299) 10.302 2.996 ( 0.000 2.923 -2.479) 3.833 3.127 ( 0.000 11.766 -5.267) 12.891 3.184 ( 0.000 0.027 1.405) 1.405 3.302 ( 0.000 -1.818 3.713) 4.134 3.346 ( 0.000 12.090 2.217) 12.292 3.534 ( 0.000 14.279 4.289) 14.909 3.600 ( 0.000 2.746 -1.025) 2.931 3.708 ( 0.000 10.018 3.821) 10.722 4.024 ( 0.000 -6.151 -5.553) 8.287 4.040 ( 0.000 -0.251 -2.647) 2.659 4.084 ( 0.000 -0.440 1.295) 1.368 4.321 ( 0.000 0.707 -9.070) 9.098 4.545 ( 0.000 -5.030 -2.066) 5.437 4.644 ( 0.000 -1.695 3.484) 3.874 5.044 ( 0.000 -2.579 -6.697) 7.176 5.114 ( 0.000 -19.384 2.327) 19.523 5.204 ( 0.000 -18.385 0.801) 18.402 5.841 ( 0.000 12.238 -4.410) 13.008 6.087 ( 0.000 7.940 -5.682) 9.764 6.246 ( 0.000 4.061 -0.054) 4.061 6.291 ( 0.000 -5.605 5.190) 7.639 6.547 ( 0.000 -2.346 -2.785) 3.641 6.559 ( 0.000 -1.511 -5.677) 5.874 6.648 ( 0.000 -3.409 4.623) 5.744 6.778 ( 0.000 -6.754 -1.722) 6.970 6.874 ( 0.000 -1.591 9.804) 9.933 6.917 ( 0.000 -1.096 8.540) 8.610 7.055 ( 0.000 -2.080 4.382) 4.850 7.241 ( 0.000 -4.565 0.229) 4.571 8.372 ( 0.000 2.570 3.577) 4.404 8.548 ( 0.000 -2.816 1.704) 3.292 8.874 ( 0.000 3.049 1.310) 3.318 9.124 ( 0.000 -4.086 -3.538) 5.404 9.740 ( 0.000 7.565 1.024) 7.634 10.044 ( 0.000 -0.299 -2.938) 2.953 10.089 ( 0.000 3.974 0.480) 4.003 10.193 ( 0.000 2.085 -3.529) 4.099 12.055 ( 0.000 2.055 0.224) 2.067 12.231 ( 0.000 -2.182 -1.581) 2.694 12.561 ( 0.000 0.467 0.532) 0.708 12.591 ( 0.000 -0.196 -0.133) 0.237 14.355 ( 0.000 2.938 1.267) 3.199 14.675 ( 0.000 -4.443 -5.313) 6.927 14.877 ( 0.000 -2.823 4.342) 5.179 15.081 ( 0.000 -7.591 0.202) 7.594 19.660 ( 0.000 20.612 1.945) 20.703 20.524 ( 0.000 3.105 -14.068) 14.407 21.073 ( 0.000 21.224 -0.875) 21.243 21.258 ( 0.000 34.088 -26.547) 43.205 22.195 ( 0.000 -1.411 2.552) 2.916 22.705 ( 0.000 -5.997 -9.145) 10.936 22.769 ( 0.000 -3.790 16.850) 17.271 23.756 ( 0.000 -20.491 -6.519) 21.504 25.043 ( 0.000 0.477 4.304) 4.330 25.299 ( 0.000 -5.755 -0.625) 5.789 25.535 ( 0.000 -1.631 8.966) 9.113 25.624 ( 0.000 -7.763 19.817) 21.284 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 7.398 14.811 4.991) 17.291 1.180 ( 13.113 4.418 15.362) 20.675 1.516 ( 2.759 0.456 -1.750) 3.299 1.569 ( 3.310 -2.315 1.814) 4.428 1.770 ( -3.743 -1.841 10.269) 11.084 1.862 ( -1.686 9.265 2.925) 9.861 1.957 ( -1.018 -3.878 2.436) 4.692 2.025 ( -2.461 9.858 6.293) 11.951 2.130 ( 3.388 12.443 6.239) 14.326 2.146 ( 1.607 4.141 0.862) 4.524 2.282 ( 1.048 3.143 -2.795) 4.334 2.431 ( 5.505 15.587 4.453) 17.120 2.600 ( -0.108 22.722 1.375) 22.764 2.929 ( 2.479 -0.889 -5.711) 6.289 2.973 ( 3.665 -0.441 -11.665) 12.235 3.015 ( 2.020 3.610 -4.492) 6.107 3.136 ( 2.752 10.216 -6.145) 12.235 3.198 ( 0.325 6.864 2.123) 7.192 3.330 ( -1.565 12.170 2.114) 12.451 3.345 ( 2.624 -1.143 2.470) 3.781 3.524 ( 2.468 3.027 1.997) 4.387 3.653 ( 1.841 6.796 -0.078) 7.041 3.698 ( -0.241 8.678 3.319) 9.294 3.979 ( -2.919 -1.982 -4.938) 6.069 4.023 ( -4.328 -0.817 -3.164) 5.423 4.059 ( 0.711 -2.134 2.313) 3.226 4.340 ( 0.235 -3.726 -6.364) 7.378 4.525 ( -3.016 3.755 -2.951) 5.649 4.627 ( 0.224 -6.250 5.011) 8.014 5.044 ( 0.115 -2.469 -4.361) 5.013 5.118 ( -0.273 -17.666 1.079) 17.701 5.194 ( -0.825 -19.438 0.513) 19.462 5.837 ( -0.371 12.267 -3.267) 12.700 6.033 ( -3.264 8.787 -3.650) 10.059 6.216 ( -1.994 0.256 2.428) 3.153 6.339 ( 1.479 -0.944 -0.947) 1.994 6.532 ( -0.957 -1.832 -3.170) 3.784 6.563 ( 0.878 -2.907 -1.806) 3.533 6.657 ( 0.248 -1.443 -2.274) 2.705 6.820 ( -0.243 -7.527 8.876) 11.640 6.907 ( 4.031 -3.283 5.280) 7.410 6.928 ( 3.571 -2.369 2.701) 5.066 7.031 ( -2.043 -1.337 4.027) 4.709 7.256 ( 1.170 -5.518 -0.254) 5.647 8.401 ( 2.866 2.742 3.395) 5.221 8.580 ( 3.080 -2.670 1.184) 4.245 8.853 ( -2.012 3.063 1.369) 3.912 9.093 ( -2.982 -3.499 -3.192) 5.597 9.741 ( 0.151 7.740 1.013) 7.807 9.983 ( -5.625 5.687 -2.309) 8.326 10.077 ( 0.138 0.096 0.392) 0.426 10.198 ( -0.207 2.776 -2.412) 3.684 12.098 ( 4.154 2.022 0.440) 4.641 12.334 ( 8.198 -5.427 -3.448) 10.419 12.553 ( -0.807 0.260 0.717) 1.111 12.591 ( 0.047 -0.516 -0.226) 0.565 14.372 ( 1.722 3.083 1.333) 3.775 14.709 ( 2.011 -3.295 -5.225) 6.496 14.872 ( 0.624 -6.171 3.534) 7.138 15.093 ( 0.972 -8.556 -0.284) 8.616 19.682 ( 2.273 21.269 1.717) 21.459 20.519 ( -1.472 8.130 -17.206) 19.087 20.959 ( -9.838 19.793 -1.677) 22.167 21.231 ( -2.882 28.795 -18.099) 34.132 22.149 ( -4.433 -0.359 4.864) 6.591 22.354 ( -17.433 10.318 13.167) 24.160 23.020 ( 10.830 -11.671 -2.433) 16.106 23.725 ( -3.133 -19.959 -6.165) 21.123 25.062 ( 1.865 0.076 4.181) 4.578 25.305 ( 0.616 -5.638 -0.450) 5.689 25.503 ( -3.170 -1.654 8.729) 9.433 25.565 ( -4.645 -4.845 15.768) 17.137 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 13.963 11.917 0.931) 18.381 1.416 ( 8.157 1.042 6.546) 10.511 1.590 ( 3.657 3.412 6.448) 8.161 1.646 ( 3.984 1.217 0.845) 4.250 1.706 ( -1.877 -1.635 5.068) 5.647 1.831 ( -0.621 1.037 1.695) 2.082 1.915 ( -2.361 0.535 2.184) 3.260 1.975 ( -3.231 11.081 5.474) 12.775 2.199 ( 3.157 10.515 5.310) 12.195 2.220 ( 4.360 2.089 3.383) 5.901 2.306 ( 2.452 13.981 -1.609) 14.285 2.525 ( 1.417 19.183 0.212) 19.237 2.631 ( 5.405 13.631 4.505) 15.339 2.927 ( -1.470 2.535 -2.668) 3.963 3.034 ( 0.093 7.039 -5.821) 9.135 3.091 ( 5.527 -1.328 -7.979) 9.796 3.194 ( -0.940 9.787 -1.891) 10.012 3.231 ( 2.581 5.758 0.743) 6.354 3.293 ( 3.303 14.109 -1.869) 14.611 3.397 ( 1.641 -2.123 -2.605) 3.740 3.587 ( -0.468 -1.299 -3.468) 3.733 3.637 ( -2.555 9.128 2.708) 9.858 3.726 ( 4.450 -2.380 -0.911) 5.128 3.921 ( -3.326 0.933 -4.518) 5.687 3.984 ( 1.969 -2.439 2.252) 3.860 4.081 ( 1.655 0.098 4.694) 4.978 4.296 ( -4.252 -8.146 -3.817) 9.951 4.427 ( -5.565 7.354 0.944) 9.270 4.686 ( 4.780 -3.700 2.731) 6.633 5.025 ( -3.203 1.139 -1.311) 3.643 5.107 ( 0.219 -20.314 -0.373) 20.319 5.177 ( -0.965 -20.105 0.039) 20.128 5.831 ( 0.078 12.204 -0.981) 12.243 5.981 ( -2.464 10.243 -1.230) 10.607 6.182 ( -0.955 -0.385 0.570) 1.177 6.323 ( -2.700 0.233 -1.345) 3.025 6.535 ( 0.972 -2.424 0.163) 2.616 6.578 ( 1.195 -2.003 -2.964) 3.771 6.657 ( -0.534 -1.711 -5.509) 5.793 6.780 ( -2.643 -3.974 9.260) 10.417 6.929 ( 0.702 -0.995 6.446) 6.560 6.986 ( -2.056 0.496 3.111) 3.762 7.092 ( 7.995 -9.798 -4.369) 13.380 7.276 ( 0.590 -7.193 -1.394) 7.351 8.480 ( 4.873 3.124 2.894) 6.471 8.665 ( 5.079 -2.251 -0.041) 5.556 8.795 ( -3.661 3.047 1.667) 5.047 9.014 ( -4.734 -2.659 -2.440) 5.953 9.747 ( 0.470 8.216 0.964) 8.286 9.874 ( -4.709 8.726 -0.606) 9.934 10.090 ( 0.990 -0.375 -0.133) 1.066 10.180 ( -1.428 2.604 -1.423) 3.294 12.207 ( 6.294 1.926 0.677) 6.617 12.467 ( 2.867 -3.676 -3.779) 6.001 12.539 ( 0.498 -2.952 0.188) 2.999 12.594 ( 0.182 -1.639 -0.600) 1.755 14.424 ( 3.443 3.400 1.443) 5.049 14.693 ( -3.367 2.053 -0.994) 4.067 14.941 ( 5.402 -14.345 -1.605) 15.412 15.109 ( 0.310 -10.840 -1.403) 10.935 19.752 ( 4.882 23.238 0.879) 23.761 20.382 ( -13.041 26.375 -17.225) 34.094 20.823 ( -0.879 5.706 3.495) 6.749 21.142 ( -5.777 19.468 -9.194) 22.291 22.037 ( -5.301 9.466 12.744) 16.737 22.118 ( -6.967 14.644 7.800) 17.995 23.204 ( 8.137 -13.708 -4.862) 16.666 23.633 ( -5.820 -18.464 -5.640) 20.164 25.114 ( 3.358 -0.338 4.302) 5.467 25.326 ( 1.447 -5.195 0.113) 5.394 25.415 ( -5.276 -1.316 7.832) 9.534 25.479 ( -3.791 -2.878 8.409) 9.663 ======================= Grid point 66 (28/64) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 12.454 8.784 -0.694) 15.256 1.458 ( -4.282 5.086 0.466) 6.665 1.636 ( 1.674 1.918 4.184) 4.898 1.662 ( -1.197 1.755 4.730) 5.185 1.748 ( 4.643 3.200 2.940) 6.359 1.839 ( -2.427 3.878 3.238) 5.605 1.870 ( 0.436 -0.075 -0.914) 1.016 1.915 ( -2.455 1.029 5.594) 6.195 2.249 ( 1.820 9.964 5.820) 11.682 2.265 ( 0.555 6.239 2.057) 6.593 2.406 ( 5.957 17.179 0.781) 18.200 2.499 ( -3.095 18.900 0.247) 19.153 2.783 ( 7.940 10.438 3.182) 13.495 2.894 ( -2.547 6.810 -1.002) 7.340 3.016 ( -0.518 8.058 -1.306) 8.179 3.067 ( -5.417 5.432 1.490) 7.815 3.231 ( 4.565 2.360 -4.635) 6.920 3.276 ( 0.746 6.956 -0.892) 7.053 3.418 ( 2.967 4.156 -7.656) 9.203 3.425 ( 5.399 3.926 -6.873) 9.581 3.507 ( -5.108 -1.132 -6.019) 7.975 3.558 ( -5.056 8.805 -2.443) 10.443 3.841 ( 4.276 -5.325 0.513) 6.848 3.879 ( -0.831 -2.487 -2.396) 3.552 4.038 ( 3.064 -7.306 3.446) 8.639 4.109 ( -1.670 -3.907 5.795) 7.185 4.235 ( 1.423 1.996 0.437) 2.490 4.322 ( -5.098 7.917 4.549) 10.457 4.795 ( 6.007 -2.056 0.389) 6.361 4.922 ( -6.353 -0.957 -0.429) 6.439 5.127 ( 1.333 -19.637 -0.687) 19.694 5.154 ( -1.321 -19.849 -0.368) 19.896 5.855 ( 2.445 12.065 0.720) 12.331 5.920 ( -3.561 11.466 0.864) 12.037 6.191 ( 1.969 -0.252 -0.231) 1.998 6.253 ( -3.793 0.123 -0.333) 3.809 6.562 ( 1.789 -1.772 -1.293) 2.831 6.599 ( -0.980 -1.278 -1.832) 2.439 6.656 ( 2.269 -3.345 -1.973) 4.498 6.722 ( -3.324 -3.649 4.805) 6.888 6.942 ( 0.604 0.316 3.542) 3.607 6.956 ( -0.937 1.510 2.200) 2.828 7.215 ( 4.346 -9.749 -4.241) 11.485 7.270 ( -1.334 -8.667 -2.896) 9.235 8.587 ( 5.582 3.446 2.209) 6.922 8.693 ( -4.612 3.321 1.216) 5.812 8.791 ( 5.574 -2.186 -0.297) 5.995 8.909 ( -5.743 -2.359 -1.600) 6.411 9.763 ( 1.235 8.810 0.809) 8.933 9.801 ( -2.661 9.206 0.367) 9.590 10.115 ( 1.489 0.323 -0.486) 1.600 10.148 ( -1.730 1.497 -0.872) 2.448 12.333 ( 5.978 1.641 0.626) 6.230 12.435 ( -4.009 1.101 -0.006) 4.158 12.577 ( 1.677 -5.294 -2.374) 6.039 12.595 ( -0.224 -3.499 -1.484) 3.807 14.506 ( 4.711 3.669 1.361) 6.125 14.605 ( -4.972 3.482 0.825) 6.126 15.041 ( 4.108 -15.512 -3.151) 16.353 15.098 ( -1.564 -13.531 -2.577) 13.862 19.883 ( 8.468 26.367 -1.241) 27.721 20.099 ( -13.156 29.546 -6.505) 32.991 20.885 ( 5.577 4.531 -0.798) 7.230 21.013 ( -6.820 10.614 -4.416) 13.367 21.983 ( -0.190 15.624 10.551) 18.854 22.018 ( -3.449 14.780 7.384) 16.878 23.358 ( 7.430 -15.117 -5.328) 17.667 23.503 ( -7.037 -16.704 -5.426) 18.921 25.197 ( 4.852 -0.513 4.809) 6.851 25.303 ( -5.574 -0.810 5.914) 8.167 25.363 ( 2.125 -4.462 1.341) 5.121 25.413 ( -2.858 -3.446 3.965) 5.980 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 10.963 -3.228) 11.428 1.114 ( 0.000 -0.384 -0.324) 0.502 1.539 ( 0.000 4.128 7.519) 8.577 1.540 ( 0.000 6.997 2.729) 7.510 1.731 ( 0.000 -7.642 15.468) 17.253 1.743 ( 0.000 -12.353 14.569) 19.101 2.000 ( 0.000 3.417 1.767) 3.846 2.060 ( 0.000 -2.493 -0.916) 2.656 2.188 ( 0.000 5.666 7.317) 9.254 2.268 ( 0.000 -1.675 0.289) 1.699 2.366 ( 0.000 12.072 -0.339) 12.077 2.598 ( 0.000 -10.193 0.523) 10.206 2.792 ( 0.000 15.040 -0.209) 15.042 2.918 ( 0.000 -1.168 -9.853) 9.922 2.920 ( 0.000 0.706 -10.081) 10.105 3.041 ( 0.000 -8.017 -2.145) 8.299 3.256 ( 0.000 2.689 4.248) 5.028 3.290 ( 0.000 -0.906 4.934) 5.017 3.491 ( 0.000 26.253 -3.917) 26.544 3.637 ( 0.000 10.469 -4.615) 11.441 3.696 ( 0.000 5.352 -3.243) 6.257 3.794 ( 0.000 6.125 -1.366) 6.276 3.890 ( 0.000 2.097 -5.256) 5.659 3.982 ( 0.000 5.866 5.661) 8.152 3.997 ( 0.000 -5.186 3.289) 6.141 4.168 ( 0.000 13.719 5.696) 14.854 4.169 ( 0.000 -10.802 -1.267) 10.876 4.494 ( 0.000 -1.784 0.246) 1.801 4.646 ( 0.000 -16.951 3.549) 17.318 4.735 ( 0.000 -17.610 -1.149) 17.648 4.804 ( 0.000 7.360 -4.752) 8.760 5.000 ( 0.000 -8.240 -3.919) 9.125 6.049 ( 0.000 7.748 -4.536) 8.978 6.168 ( 0.000 -4.012 -3.508) 5.329 6.243 ( 0.000 4.213 -1.255) 4.396 6.292 ( 0.000 0.080 -1.674) 1.676 6.521 ( 0.000 -0.549 -4.507) 4.541 6.528 ( 0.000 -1.199 -5.298) 5.432 6.620 ( 0.000 0.133 0.663) 0.676 6.659 ( 0.000 -4.033 -1.263) 4.226 6.866 ( 0.000 0.406 7.855) 7.866 6.886 ( 0.000 -1.507 7.960) 8.101 7.064 ( 0.000 2.612 3.361) 4.257 7.144 ( 0.000 -4.671 1.575) 4.929 8.423 ( 0.000 2.611 3.311) 4.216 8.483 ( 0.000 -3.229 2.563) 4.122 8.945 ( 0.000 3.886 -0.396) 3.906 9.032 ( 0.000 -4.568 -1.988) 4.982 9.891 ( 0.000 6.701 0.831) 6.752 10.002 ( 0.000 -3.856 -0.477) 3.885 10.163 ( 0.000 2.942 -0.028) 2.942 10.203 ( 0.000 -0.850 -1.062) 1.360 12.109 ( 0.000 3.092 -0.909) 3.223 12.175 ( 0.000 -3.149 -1.516) 3.495 12.573 ( 0.000 0.609 0.285) 0.673 12.584 ( 0.000 -0.458 0.062) 0.462 14.433 ( 0.000 4.747 -0.028) 4.748 14.550 ( 0.000 -6.523 -2.016) 6.828 14.875 ( 0.000 2.073 1.437) 2.523 14.949 ( 0.000 -5.100 0.204) 5.104 20.086 ( 0.000 19.639 1.964) 19.737 20.419 ( 0.000 -11.778 -1.635) 11.891 21.496 ( 0.000 18.251 -3.055) 18.505 21.712 ( 0.000 2.756 -16.400) 16.630 22.280 ( 0.000 13.275 -7.680) 15.336 22.547 ( 0.000 -9.841 -12.977) 16.287 22.839 ( 0.000 12.121 11.326) 16.589 23.264 ( 0.000 -25.701 1.067) 25.723 25.080 ( 0.000 3.306 1.932) 3.829 25.176 ( 0.000 -5.766 0.240) 5.771 25.514 ( 0.000 -0.246 10.408) 10.411 25.532 ( 0.000 -2.210 13.507) 13.686 ======================= Grid point 71 (30/64) ======================= q-point: ( 0.14 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 7.889 12.676 -1.443) 15.000 1.220 ( 9.618 -1.280 -0.114) 9.704 1.514 ( 1.095 0.768 2.881) 3.176 1.613 ( 1.204 -1.610 -1.685) 2.624 1.660 ( 0.256 0.717 19.920) 19.934 1.821 ( 2.340 -8.064 10.063) 13.106 1.974 ( -2.065 4.077 4.215) 6.217 2.063 ( 0.083 -4.838 3.070) 5.730 2.211 ( 2.382 7.281 4.507) 8.888 2.305 ( 3.310 -1.648 0.046) 3.698 2.374 ( 0.852 11.136 0.438) 11.177 2.595 ( -0.440 -9.572 1.079) 9.643 2.819 ( 2.660 12.552 -1.086) 12.877 2.939 ( 2.822 -2.045 -9.536) 10.152 2.970 ( 4.412 2.163 -9.455) 10.655 3.089 ( 4.461 -7.049 -2.508) 8.711 3.289 ( 2.673 4.901 2.883) 6.283 3.328 ( 2.964 -0.709 3.135) 4.372 3.499 ( 0.344 20.215 -4.777) 20.775 3.615 ( -2.615 6.783 -2.876) 7.818 3.660 ( -0.814 13.566 -1.435) 13.666 3.781 ( -2.458 4.511 0.326) 5.148 3.879 ( -1.096 1.908 -4.038) 4.599 3.966 ( -1.749 6.425 4.858) 8.243 3.996 ( -0.399 -7.186 3.729) 8.106 4.127 ( -2.480 13.728 2.140) 14.113 4.160 ( -0.621 -9.089 0.158) 9.111 4.520 ( 1.205 -9.501 -0.620) 9.597 4.600 ( -2.489 -7.104 -0.191) 7.530 4.743 ( -0.041 -13.489 -0.735) 13.509 4.824 ( 1.575 0.883 -0.366) 1.842 4.994 ( -0.763 -7.818 -2.666) 8.295 6.046 ( -0.417 7.664 -3.568) 8.464 6.151 ( -0.949 -1.962 -3.184) 3.859 6.223 ( -1.623 5.055 -0.434) 5.327 6.313 ( 0.867 -2.497 -2.062) 3.352 6.507 ( -1.094 -0.126 -4.611) 4.740 6.525 ( 0.161 -1.463 -4.613) 4.842 6.638 ( 0.982 0.340 -1.294) 1.660 6.688 ( 2.033 -4.521 1.333) 5.133 6.877 ( 1.504 -0.118 6.386) 6.561 6.893 ( 0.988 -1.487 6.360) 6.606 7.055 ( -0.865 3.147 2.762) 4.276 7.144 ( -0.040 -5.182 1.011) 5.280 8.456 ( 3.159 2.720 3.044) 5.162 8.517 ( 3.245 -3.200 2.209) 5.064 8.924 ( -2.063 3.808 -0.269) 4.339 9.009 ( -2.327 -4.342 -1.782) 5.239 9.896 ( 0.501 6.852 0.797) 6.916 10.007 ( 0.498 -3.477 -0.680) 3.578 10.126 ( -2.975 4.522 0.321) 5.422 10.200 ( -0.772 -2.195 -0.979) 2.524 12.155 ( 4.294 3.397 -0.784) 5.531 12.235 ( 5.364 -4.344 -1.845) 7.145 12.564 ( -0.920 0.687 0.306) 1.188 12.579 ( -0.564 -0.694 -0.002) 0.894 14.454 ( 2.069 4.997 0.111) 5.410 14.580 ( 2.868 -7.179 -2.003) 7.986 14.855 ( -1.974 2.592 1.424) 3.555 14.943 ( -0.695 -5.908 -0.055) 5.949 20.120 ( 3.368 20.018 1.788) 20.378 20.455 ( 3.516 -11.411 -1.936) 12.097 21.357 ( -13.028 17.002 -4.349) 21.857 21.571 ( -12.361 -0.301 -12.175) 17.352 22.312 ( 2.767 17.258 -6.335) 18.591 22.578 ( 1.618 2.461 -7.603) 8.154 22.831 ( 0.130 2.442 6.734) 7.164 23.239 ( -2.499 -25.962 0.689) 26.092 25.093 ( 1.353 3.062 2.016) 3.907 25.185 ( 0.939 -5.579 0.392) 5.671 25.483 ( -2.984 -0.157 9.775) 10.221 25.500 ( -2.900 -1.856 11.452) 11.958 ======================= Grid point 72 (31/64) ======================= q-point: ( 0.29 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 11.338 13.561 0.648) 17.689 1.446 ( 11.625 0.179 0.335) 11.631 1.575 ( 4.159 -3.629 2.324) 5.989 1.607 ( 1.602 -6.240 0.949) 6.512 1.717 ( 2.073 5.545 7.118) 9.258 1.810 ( -3.014 -3.068 0.437) 4.323 1.940 ( -1.290 3.465 9.845) 10.516 2.034 ( -3.919 -4.242 9.077) 10.758 2.283 ( 4.673 6.898 0.113) 8.332 2.375 ( 3.031 1.634 0.211) 3.450 2.408 ( 2.855 5.041 1.543) 5.995 2.580 ( -1.040 -8.175 1.149) 8.321 2.904 ( 5.927 9.978 -2.103) 11.794 3.020 ( 4.473 -2.264 -11.567) 12.607 3.081 ( 6.167 4.231 -5.103) 9.054 3.196 ( 5.524 -5.304 -1.771) 7.860 3.321 ( -0.514 6.832 -3.043) 7.497 3.360 ( -0.630 -0.240 -1.593) 1.730 3.477 ( -1.821 16.009 -1.018) 16.144 3.579 ( -0.721 1.905 1.136) 2.332 3.683 ( -0.572 13.725 2.954) 14.051 3.723 ( 0.719 4.981 0.225) 5.037 3.821 ( -4.858 6.653 0.353) 8.246 3.921 ( -2.257 0.156 2.490) 3.364 3.972 ( -1.599 -4.452 2.944) 5.572 4.093 ( -1.705 10.798 -1.358) 11.016 4.186 ( 4.059 -4.815 1.338) 6.438 4.483 ( -3.578 -14.077 -4.461) 15.194 4.618 ( 3.145 -1.024 0.259) 3.318 4.741 ( 0.148 -11.143 -0.764) 11.170 4.836 ( -0.716 -3.369 2.858) 4.476 4.960 ( -2.955 -6.841 0.031) 7.452 6.038 ( 0.049 7.511 -1.952) 7.761 6.141 ( 0.014 -2.423 -1.828) 3.035 6.186 ( -2.131 7.571 -0.103) 7.866 6.301 ( -2.244 -2.960 -0.776) 3.795 6.505 ( 1.066 -0.082 -3.435) 3.597 6.533 ( 1.159 -2.338 -4.505) 5.206 6.642 ( -0.984 0.960 -1.119) 1.773 6.695 ( -1.398 -3.802 3.693) 5.482 6.914 ( 2.276 0.399 4.505) 5.063 6.958 ( 4.978 -3.952 0.232) 6.360 7.034 ( -1.126 3.865 1.559) 4.317 7.139 ( -0.625 -6.065 -0.167) 6.100 8.542 ( 5.275 2.999 2.354) 6.508 8.606 ( 5.447 -3.159 1.346) 6.439 8.864 ( -3.899 3.633 0.118) 5.331 8.943 ( -4.210 -3.910 -1.241) 5.878 9.911 ( 1.096 7.314 0.712) 7.430 10.017 ( 0.005 0.514 -1.312) 1.409 10.068 ( -2.019 2.616 1.243) 3.530 10.169 ( -2.219 -3.540 -0.787) 4.251 12.264 ( 6.127 3.640 -0.546) 7.147 12.357 ( 6.087 -5.362 -2.111) 8.382 12.534 ( -2.097 0.974 0.315) 2.333 12.561 ( -1.224 -1.516 -0.261) 1.966 14.514 ( 3.920 5.586 0.371) 6.834 14.657 ( 4.510 -7.752 -2.099) 9.211 14.800 ( -3.341 2.909 1.479) 4.670 14.917 ( -2.080 -7.700 -0.577) 7.996 20.222 ( 6.904 21.057 1.153) 22.190 20.556 ( 6.482 -9.201 -3.171) 11.693 21.035 ( -17.394 16.097 -2.819) 23.867 21.287 ( -14.962 -5.486 -6.557) 17.232 22.374 ( 3.203 22.848 -3.022) 23.268 22.568 ( -2.476 23.153 1.600) 23.340 22.873 ( 3.921 -16.374 -1.986) 16.954 23.168 ( -4.413 -25.979 -0.440) 26.355 25.136 ( 2.905 2.529 2.422) 4.550 25.216 ( 2.180 -5.029 0.922) 5.558 25.403 ( -4.706 0.329 7.663) 8.998 25.428 ( -4.074 -1.964 7.656) 8.892 ======================= Grid point 73 (32/64) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 9.063 10.818 0.613) 14.126 1.589 ( 0.946 6.239 -1.020) 6.392 1.674 ( 1.443 0.342 -0.337) 1.520 1.685 ( 2.656 -4.868 3.502) 6.558 1.717 ( 4.000 1.647 3.930) 5.844 1.786 ( 3.588 -4.119 0.161) 5.465 1.891 ( -4.637 -0.235 5.976) 7.567 1.904 ( -8.261 -1.767 6.676) 10.768 2.375 ( 3.758 5.807 1.260) 7.030 2.412 ( 0.252 6.619 2.706) 7.155 2.481 ( 4.104 -3.120 0.088) 5.156 2.550 ( -2.345 -5.745 1.099) 6.301 3.039 ( 6.795 7.138 -4.595) 10.873 3.108 ( 4.265 1.856 -10.338) 11.336 3.153 ( -1.625 4.537 -4.299) 6.458 3.213 ( -3.534 1.125 -7.855) 8.686 3.320 ( 1.728 5.170 -1.998) 5.806 3.386 ( 5.410 0.565 3.215) 6.318 3.440 ( -3.114 9.504 4.525) 10.977 3.524 ( -3.634 3.060 -0.907) 4.836 3.662 ( -0.079 5.880 3.020) 6.611 3.715 ( -4.765 9.347 1.516) 10.601 3.794 ( 4.126 -2.030 4.033) 6.116 3.870 ( -3.167 -4.434 3.288) 6.364 3.979 ( 2.722 7.705 -2.247) 8.475 4.045 ( -3.129 12.514 -3.297) 13.314 4.301 ( 6.369 -6.358 0.854) 9.040 4.408 ( -4.215 -9.822 -2.006) 10.875 4.692 ( 3.933 -3.916 0.102) 5.551 4.747 ( -0.533 -5.645 0.661) 5.709 4.812 ( -0.008 -8.458 1.538) 8.597 4.877 ( -4.885 -7.127 1.056) 8.705 6.063 ( 2.563 7.556 -0.292) 7.984 6.129 ( -3.528 7.956 0.603) 8.724 6.164 ( 2.460 -2.678 -0.669) 3.697 6.233 ( -4.004 -2.485 -0.052) 4.712 6.544 ( 2.644 0.369 -2.443) 3.618 6.578 ( 2.783 -2.181 -1.535) 3.855 6.603 ( -2.313 0.256 -1.550) 2.795 6.646 ( -3.133 -3.274 1.790) 4.872 6.965 ( 2.492 2.465 1.694) 3.893 7.007 ( -1.605 3.674 0.790) 4.086 7.054 ( 3.977 -6.057 -1.428) 7.385 7.114 ( -2.018 -6.543 -1.238) 6.958 8.656 ( 5.893 3.347 1.471) 6.935 8.723 ( 5.726 -2.721 0.243) 6.344 8.772 ( -4.874 2.938 0.854) 5.754 8.844 ( -5.548 -3.593 -0.470) 6.627 9.940 ( 1.831 7.966 0.534) 8.191 9.984 ( -2.431 8.108 -0.032) 8.464 10.074 ( 1.826 -4.312 0.121) 4.684 10.120 ( -2.551 -4.257 -0.469) 4.985 12.382 ( 5.395 3.162 -0.280) 6.259 12.454 ( 2.033 -1.778 -1.589) 3.134 12.483 ( -1.596 -0.903 0.065) 1.835 12.527 ( -2.277 -3.058 -0.792) 3.894 14.604 ( 4.909 6.090 0.461) 7.836 14.697 ( -3.424 5.130 -0.422) 6.182 14.776 ( 3.650 -9.658 -0.205) 10.327 14.858 ( -3.735 -9.547 -0.937) 10.294 20.398 ( 10.736 22.397 -0.439) 24.841 20.625 ( -7.928 18.180 -5.644) 20.621 20.800 ( 2.860 -8.641 1.655) 9.251 21.002 ( -13.157 -10.288 -3.101) 16.987 22.438 ( 3.235 26.646 0.272) 26.843 22.505 ( -3.441 28.039 2.593) 28.368 22.967 ( 5.106 -22.793 -3.384) 23.602 23.071 ( -5.177 -25.027 -2.054) 25.639 25.209 ( 4.346 1.829 3.405) 5.815 25.271 ( 3.302 -4.048 2.178) 5.660 25.304 ( -5.042 0.996 5.147) 7.273 25.346 ( -4.036 -2.871 4.423) 6.641 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 0.000 12.372) 12.372 0.836 ( 0.000 0.000 20.982) 20.982 0.920 ( 0.000 0.000 -4.425) 4.425 1.385 ( 0.000 0.000 9.451) 9.451 1.528 ( 0.000 0.000 5.074) 5.074 1.666 ( 0.000 0.000 1.289) 1.289 1.782 ( 0.000 0.000 -4.285) 4.285 1.866 ( 0.000 0.000 -4.956) 4.956 2.060 ( 0.000 0.000 6.395) 6.395 2.131 ( 0.000 0.000 0.057) 0.057 2.162 ( 0.000 0.000 10.573) 10.573 2.387 ( 0.000 0.000 13.594) 13.594 2.598 ( 0.000 0.000 0.804) 0.804 2.614 ( 0.000 0.000 10.390) 10.390 2.746 ( 0.000 0.000 -9.470) 9.470 2.814 ( 0.000 0.000 3.076) 3.076 2.866 ( 0.000 0.000 2.162) 2.162 2.968 ( 0.000 0.000 7.340) 7.340 3.218 ( 0.000 0.000 -2.401) 2.401 3.299 ( 0.000 0.000 -19.566) 19.566 3.446 ( 0.000 0.000 -1.226) 1.226 3.525 ( 0.000 0.000 -12.201) 12.201 3.703 ( 0.000 0.000 13.980) 13.980 3.889 ( 0.000 0.000 7.079) 7.079 4.093 ( 0.000 0.000 2.286) 2.286 4.166 ( 0.000 0.000 -5.605) 5.605 4.279 ( 0.000 0.000 -7.341) 7.341 4.458 ( 0.000 0.000 -7.941) 7.941 4.711 ( 0.000 0.000 2.195) 2.195 4.925 ( 0.000 0.000 -10.110) 10.110 5.404 ( 0.000 0.000 7.046) 7.046 5.664 ( 0.000 0.000 2.881) 2.881 5.742 ( 0.000 0.000 -1.419) 1.419 5.754 ( 0.000 0.000 -8.592) 8.592 6.103 ( 0.000 0.000 1.932) 1.932 6.219 ( 0.000 0.000 -3.724) 3.724 6.541 ( 0.000 0.000 -0.642) 0.642 6.596 ( 0.000 0.000 -2.618) 2.618 6.868 ( 0.000 0.000 2.587) 2.587 6.933 ( 0.000 0.000 -0.606) 0.606 7.120 ( 0.000 0.000 9.045) 9.045 7.322 ( 0.000 0.000 -2.114) 2.114 7.361 ( 0.000 0.000 11.079) 11.079 7.937 ( 0.000 0.000 -15.861) 15.861 8.338 ( 0.000 0.000 3.644) 3.644 8.497 ( 0.000 0.000 -4.100) 4.100 8.883 ( 0.000 0.000 4.817) 4.817 9.013 ( 0.000 0.000 -1.187) 1.187 9.541 ( 0.000 0.000 0.064) 0.064 9.577 ( 0.000 0.000 -1.886) 1.886 10.003 ( 0.000 0.000 1.307) 1.307 10.054 ( 0.000 0.000 -1.097) 1.097 12.103 ( 0.000 0.000 4.119) 4.119 12.238 ( 0.000 0.000 -2.502) 2.502 12.568 ( 0.000 0.000 0.300) 0.300 12.585 ( 0.000 0.000 -0.509) 0.509 14.373 ( 0.000 0.000 4.982) 4.982 14.606 ( 0.000 0.000 -6.547) 6.547 15.131 ( 0.000 0.000 5.443) 5.443 15.342 ( 0.000 0.000 -5.051) 5.051 19.147 ( 0.000 0.000 0.117) 0.117 19.152 ( 0.000 0.000 -0.103) 0.103 20.477 ( 0.000 0.000 0.986) 0.986 20.522 ( 0.000 0.000 -1.177) 1.177 22.356 ( 0.000 0.000 6.680) 6.680 22.678 ( 0.000 0.000 -9.185) 9.185 23.335 ( 0.000 0.000 13.249) 13.249 23.919 ( 0.000 0.000 -15.589) 15.589 25.205 ( 0.000 0.000 7.480) 7.480 25.397 ( 0.000 0.000 -2.689) 2.689 25.800 ( 0.000 0.000 13.198) 13.198 26.293 ( 0.000 0.000 -10.704) 10.704 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 2.156 0.000 11.099) 11.306 0.868 ( 4.746 0.000 20.362) 20.908 0.912 ( -0.803 0.000 -4.051) 4.130 1.441 ( 2.979 0.000 -5.624) 6.364 1.664 ( 13.550 0.000 17.172) 21.874 1.667 ( 0.236 0.000 1.590) 1.607 1.790 ( 0.701 0.000 -4.058) 4.118 1.896 ( 1.355 0.000 -0.587) 1.476 2.014 ( -3.685 0.000 5.399) 6.537 2.102 ( -3.075 0.000 -0.534) 3.121 2.162 ( 0.441 0.000 8.494) 8.506 2.332 ( -4.147 0.000 9.450) 10.320 2.597 ( -0.091 0.000 2.536) 2.537 2.682 ( 6.255 0.000 11.924) 13.465 2.796 ( 4.193 0.000 -9.622) 10.496 2.829 ( 1.151 0.000 2.774) 3.003 2.865 ( 0.085 0.000 2.262) 2.263 3.006 ( 3.234 0.000 3.488) 4.757 3.220 ( -0.339 0.000 -1.252) 1.297 3.370 ( 6.700 0.000 -18.815) 19.973 3.426 ( -2.982 0.000 -9.454) 9.913 3.528 ( 1.508 0.000 -7.017) 7.177 3.667 ( -3.418 0.000 13.751) 14.169 3.882 ( 0.464 0.000 6.226) 6.243 4.147 ( 3.836 0.000 3.600) 5.261 4.159 ( -0.797 0.000 -6.899) 6.945 4.285 ( 1.446 0.000 -6.307) 6.470 4.474 ( 1.022 0.000 -2.813) 2.993 4.709 ( -0.137 0.000 1.965) 1.970 4.900 ( -2.326 0.000 -9.132) 9.424 5.422 ( 1.801 0.000 6.485) 6.731 5.659 ( -0.453 0.000 2.731) 2.768 5.721 ( -2.304 0.000 -6.848) 7.225 5.732 ( -0.981 0.000 -1.290) 1.621 6.133 ( 2.007 0.000 1.608) 2.572 6.243 ( 2.331 0.000 -3.000) 3.799 6.509 ( -1.908 0.000 -0.984) 2.147 6.596 ( -0.517 0.000 -4.090) 4.123 6.803 ( -4.594 0.000 5.286) 7.003 6.991 ( 3.132 0.000 -1.714) 3.570 7.103 ( -1.654 0.000 8.918) 9.070 7.250 ( -4.258 0.000 4.182) 5.968 7.417 ( 2.983 0.000 2.090) 3.643 7.759 ( -14.509 0.000 -9.699) 17.452 8.365 ( 2.678 0.000 3.785) 4.637 8.529 ( 3.160 0.000 -4.226) 5.277 8.852 ( -2.996 0.000 4.859) 5.709 8.997 ( -1.671 0.000 -1.880) 2.515 9.539 ( -0.090 0.000 0.417) 0.426 9.580 ( 0.142 0.000 -1.369) 1.376 10.006 ( 0.335 0.000 1.083) 1.134 10.053 ( -0.085 0.000 -1.086) 1.089 12.131 ( 3.542 0.000 4.727) 5.907 12.356 ( 7.789 0.000 -7.481) 10.800 12.572 ( 0.353 0.000 -0.159) 0.387 12.594 ( 1.083 0.000 -1.055) 1.512 14.384 ( 1.248 0.000 5.301) 5.446 14.639 ( 1.816 0.000 -7.044) 7.275 15.153 ( 2.699 0.000 2.727) 3.837 15.366 ( 2.012 0.000 -7.007) 7.290 19.150 ( 0.247 0.000 0.112) 0.271 19.154 ( 0.215 0.000 -0.094) 0.234 20.478 ( 0.075 0.000 0.882) 0.885 20.519 ( -0.366 0.000 -1.067) 1.128 22.311 ( -4.209 0.000 7.033) 8.197 22.511 ( -14.050 0.000 2.538) 14.277 23.363 ( 2.748 0.000 7.782) 8.253 23.883 ( -3.573 0.000 -15.169) 15.584 25.227 ( 2.042 0.000 6.975) 7.268 25.406 ( 0.848 0.000 -2.384) 2.530 25.747 ( -5.016 0.000 11.407) 12.461 26.063 ( -17.963 0.000 -0.332) 17.966 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 3.650 0.000 7.802) 8.614 0.886 ( -1.866 0.000 -2.685) 3.270 1.039 ( 11.443 0.000 14.120) 18.175 1.495 ( 2.103 0.000 -7.994) 8.266 1.682 ( 1.464 0.000 2.046) 2.516 1.803 ( 0.305 0.000 -2.785) 2.801 1.843 ( -2.877 0.000 8.782) 9.242 1.940 ( -3.241 0.000 3.280) 4.611 1.974 ( 10.746 0.000 20.821) 23.430 2.023 ( -4.261 0.000 -1.068) 4.393 2.204 ( 2.148 0.000 -1.889) 2.860 2.259 ( -0.873 0.000 5.191) 5.264 2.608 ( 1.796 0.000 1.609) 2.412 2.800 ( 3.123 0.000 8.109) 8.689 2.840 ( -0.209 0.000 2.351) 2.360 2.870 ( 2.455 0.000 -9.879) 10.180 2.924 ( 7.816 0.000 7.954) 11.151 3.090 ( 5.435 0.000 -2.281) 5.894 3.203 ( -1.167 0.000 2.273) 2.555 3.346 ( -4.771 0.000 -12.367) 13.255 3.488 ( -1.045 0.000 1.018) 1.459 3.524 ( -3.418 0.000 -10.050) 10.615 3.624 ( 4.720 0.000 -4.789) 6.724 3.963 ( 8.008 0.000 7.861) 11.222 4.121 ( -3.474 0.000 -10.429) 10.993 4.203 ( 2.371 0.000 0.500) 2.423 4.351 ( 3.987 0.000 2.922) 4.943 4.476 ( -1.328 0.000 2.400) 2.743 4.709 ( 0.288 0.000 1.390) 1.420 4.840 ( -3.456 0.000 -6.266) 7.156 5.472 ( 3.140 0.000 5.589) 6.411 5.651 ( -0.175 0.000 2.160) 2.167 5.681 ( -1.830 0.000 -4.511) 4.868 5.706 ( -1.508 0.000 -0.838) 1.726 6.166 ( 1.549 0.000 3.459) 3.790 6.287 ( 1.035 0.000 0.583) 1.188 6.518 ( 4.070 0.000 -4.678) 6.201 6.573 ( -1.625 0.000 -5.738) 5.964 6.701 ( -5.387 0.000 6.326) 8.308 7.014 ( -0.814 0.000 -0.316) 0.873 7.053 ( -3.146 0.000 7.785) 8.396 7.162 ( -6.214 0.000 3.840) 7.305 7.462 ( 1.320 0.000 -2.077) 2.461 7.503 ( -7.898 0.000 -6.694) 10.353 8.441 ( 4.722 0.000 4.110) 6.260 8.616 ( 5.261 0.000 -4.447) 6.889 8.772 ( -4.799 0.000 4.840) 6.816 8.943 ( -3.782 0.000 -3.222) 4.968 9.541 ( 0.382 0.000 1.089) 1.154 9.579 ( -0.329 0.000 -0.287) 0.437 10.016 ( 0.621 0.000 0.522) 0.811 10.049 ( -0.265 0.000 -0.977) 1.012 12.232 ( 5.917 0.000 4.437) 7.396 12.450 ( 1.301 0.000 -4.380) 4.569 12.583 ( 0.912 0.000 -1.967) 2.168 12.625 ( 1.402 0.000 -4.062) 4.297 14.424 ( 2.682 0.000 5.137) 5.795 14.634 ( -2.327 0.000 -3.191) 3.949 15.237 ( 5.090 0.000 -3.277) 6.054 15.400 ( 0.893 0.000 -9.613) 9.654 19.156 ( 0.327 0.000 0.090) 0.339 19.159 ( 0.249 0.000 -0.064) 0.257 20.481 ( 0.215 0.000 0.587) 0.625 20.509 ( -0.577 0.000 -0.760) 0.954 22.204 ( -6.240 0.000 9.421) 11.300 22.244 ( -10.271 0.000 11.875) 15.701 23.438 ( 4.613 0.000 0.590) 4.651 23.785 ( -5.933 0.000 -13.112) 14.392 25.280 ( 3.211 0.000 6.409) 7.169 25.432 ( 1.826 0.000 -1.544) 2.392 25.619 ( -7.277 0.000 8.256) 11.005 25.745 ( -12.352 0.000 4.903) 13.290 ======================= Grid point 101 (36/64) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 3.899 0.000 3.703) 5.377 0.837 ( -3.076 0.000 -0.035) 3.076 1.280 ( 11.660 0.000 6.754) 13.475 1.468 ( -6.076 0.000 -1.251) 6.204 1.726 ( 2.816 0.000 2.044) 3.480 1.784 ( -2.410 0.000 0.695) 2.508 1.835 ( 4.407 0.000 7.680) 8.855 1.909 ( 0.471 0.000 -0.276) 0.546 1.948 ( -3.063 0.000 -1.185) 3.284 1.980 ( -7.703 0.000 8.960) 11.816 2.262 ( 4.770 0.000 3.674) 6.021 2.314 ( 0.809 0.000 8.318) 8.357 2.709 ( 8.578 0.000 -3.833) 9.395 2.826 ( 0.492 0.000 3.521) 3.555 2.833 ( -0.377 0.000 2.517) 2.545 2.863 ( -4.342 0.000 -7.677) 8.820 3.129 ( 11.265 0.000 13.233) 17.379 3.173 ( 1.330 0.000 -1.089) 1.719 3.223 ( 0.268 0.000 -3.669) 3.679 3.262 ( 2.033 0.000 -10.243) 10.443 3.345 ( -9.933 0.000 13.721) 16.938 3.405 ( -7.597 0.000 -10.202) 12.720 3.817 ( 10.837 0.000 -16.162) 19.459 4.009 ( -7.842 0.000 -14.340) 16.344 4.155 ( 9.510 0.000 7.400) 12.050 4.253 ( 1.058 0.000 4.554) 4.676 4.394 ( 0.053 0.000 4.686) 4.686 4.416 ( -3.641 0.000 2.824) 4.608 4.727 ( 1.602 0.000 0.126) 1.607 4.773 ( -2.989 0.000 -2.583) 3.950 5.547 ( 4.309 0.000 3.756) 5.716 5.630 ( -3.539 0.000 -0.247) 3.548 5.655 ( 0.661 0.000 1.138) 1.316 5.676 ( -1.371 0.000 0.012) 1.371 6.212 ( 3.184 0.000 5.503) 6.358 6.273 ( -2.208 0.000 4.199) 4.744 6.548 ( -0.177 0.000 -4.917) 4.920 6.586 ( -3.531 0.000 0.380) 3.551 6.689 ( 10.181 0.000 -5.557) 11.598 6.922 ( -11.009 0.000 -5.027) 12.103 7.006 ( -0.414 0.000 7.193) 7.205 7.029 ( -3.045 0.000 6.915) 7.556 7.454 ( 0.839 0.000 -5.324) 5.390 7.473 ( -0.462 0.000 -4.544) 4.567 8.547 ( 5.739 0.000 4.447) 7.260 8.662 ( -5.440 0.000 4.444) 7.024 8.734 ( 5.731 0.000 -4.273) 7.148 8.849 ( -5.419 0.000 -4.188) 6.849 9.553 ( 0.720 0.000 1.273) 1.463 9.568 ( -0.706 0.000 0.745) 1.027 10.029 ( 0.690 0.000 -0.127) 0.701 10.042 ( -0.518 0.000 -0.661) 0.839 12.347 ( 5.224 0.000 3.079) 6.064 12.429 ( -2.854 0.000 0.558) 2.908 12.608 ( 1.460 0.000 -3.655) 3.936 12.632 ( -0.652 0.000 -4.752) 4.797 14.488 ( 3.673 0.000 3.735) 5.239 14.566 ( -3.999 0.000 1.008) 4.124 15.332 ( 4.080 0.000 -6.999) 8.102 15.392 ( -1.752 0.000 -9.303) 9.467 19.161 ( 0.187 0.000 0.045) 0.192 19.163 ( 0.069 0.000 -0.013) 0.071 20.487 ( 0.413 0.000 0.158) 0.442 20.497 ( -0.574 0.000 -0.322) 0.658 22.101 ( -2.273 0.000 13.149) 13.344 22.119 ( -3.600 0.000 10.491) 11.092 23.541 ( 5.621 0.000 -4.922) 7.472 23.660 ( -6.257 0.000 -9.489) 11.366 25.358 ( 4.795 0.000 6.306) 7.922 25.474 ( -6.568 0.000 6.368) 9.149 25.482 ( 2.984 0.000 0.176) 2.990 25.569 ( -5.968 0.000 2.353) 6.415 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.000 1.408 18.894) 18.946 1.267 ( 0.000 32.715 4.593) 33.036 1.329 ( 0.000 4.785 5.139) 7.022 1.396 ( 0.000 27.595 -1.471) 27.634 1.493 ( 0.000 -0.178 5.277) 5.280 1.750 ( 0.000 5.739 -4.297) 7.169 1.823 ( 0.000 11.912 3.833) 12.513 1.968 ( 0.000 5.841 -4.594) 7.432 2.100 ( 0.000 2.084 9.008) 9.246 2.164 ( 0.000 2.783 8.934) 9.358 2.184 ( 0.000 6.352 0.612) 6.381 2.370 ( 0.000 -0.907 13.862) 13.892 2.544 ( 0.000 -2.525 7.291) 7.716 2.722 ( 0.000 6.803 1.309) 6.928 2.729 ( 0.000 -1.413 -9.271) 9.378 2.926 ( 0.000 7.171 2.051) 7.459 2.930 ( 0.000 -0.903 5.072) 5.152 3.072 ( 0.000 15.135 1.519) 15.211 3.203 ( 0.000 -2.038 -2.924) 3.564 3.248 ( 0.000 -3.200 -15.104) 15.440 3.442 ( 0.000 0.504 -2.104) 2.164 3.560 ( 0.000 3.429 -9.028) 9.657 3.732 ( 0.000 2.430 11.212) 11.473 3.844 ( 0.000 -2.079 -0.971) 2.294 4.045 ( 0.000 -5.249 -1.468) 5.450 4.185 ( 0.000 -3.028 2.501) 3.927 4.208 ( 0.000 2.525 -3.226) 4.096 4.436 ( 0.000 -1.600 -8.901) 9.043 4.847 ( 0.000 7.887 -3.143) 8.490 4.862 ( 0.000 -4.956 -1.718) 5.245 5.478 ( 0.000 -5.408 3.685) 6.544 5.559 ( 0.000 2.423 0.853) 2.569 5.567 ( 0.000 -14.693 -0.833) 14.717 5.809 ( 0.000 5.245 -8.499) 9.988 6.171 ( 0.000 4.798 1.928) 5.171 6.286 ( 0.000 4.233 -3.459) 5.467 6.525 ( 0.000 -1.517 -1.143) 1.900 6.567 ( 0.000 -2.796 -2.604) 3.820 6.840 ( 0.000 -3.365 2.383) 4.124 6.888 ( 0.000 -4.708 -0.384) 4.724 7.105 ( 0.000 -1.272 8.523) 8.618 7.250 ( 0.000 -8.058 6.670) 10.460 7.294 ( 0.000 -2.678 -1.494) 3.067 7.436 ( 0.000 -29.090 3.098) 29.254 8.393 ( 0.000 3.955 5.090) 6.446 8.580 ( 0.000 1.856 -2.485) 3.102 8.890 ( 0.000 0.591 4.080) 4.123 9.059 ( 0.000 1.065 -5.821) 5.918 9.616 ( 0.000 6.611 1.352) 6.748 9.768 ( 0.000 12.929 -8.099) 15.256 10.033 ( 0.000 2.737 1.177) 2.979 10.080 ( 0.000 2.440 -1.135) 2.691 12.089 ( 0.000 -0.951 3.923) 4.037 12.225 ( 0.000 -1.210 -2.665) 2.926 12.568 ( 0.000 0.053 0.476) 0.479 12.586 ( 0.000 0.076 -0.457) 0.463 14.377 ( 0.000 0.519 4.626) 4.655 14.601 ( 0.000 -0.651 -6.478) 6.511 15.069 ( 0.000 -5.300 5.076) 7.339 15.239 ( 0.000 -8.166 -2.895) 8.664 19.320 ( 0.000 15.447 1.928) 15.567 19.551 ( 0.000 31.930 -14.811) 35.197 20.635 ( 0.000 14.437 0.768) 14.457 20.676 ( 0.000 14.204 -1.097) 14.247 22.319 ( 0.000 -3.299 5.949) 6.802 22.634 ( 0.000 -4.227 -9.620) 10.508 23.239 ( 0.000 -8.167 15.005) 17.084 23.831 ( 0.000 -8.498 -14.886) 17.141 25.183 ( 0.000 -1.950 6.967) 7.235 25.364 ( 0.000 -3.143 -2.529) 4.034 25.777 ( 0.000 -1.970 12.384) 12.540 26.127 ( 0.000 -12.678 -1.122) 12.728 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 3.788 1.942 18.513) 18.996 1.281 ( 0.690 36.935 2.941) 37.058 1.379 ( 3.400 1.721 -1.802) 4.215 1.402 ( 0.776 26.880 -2.570) 27.013 1.600 ( 9.124 -0.157 9.738) 13.345 1.801 ( 4.636 6.145 -1.553) 7.853 1.833 ( 1.756 9.374 4.927) 10.735 1.940 ( -3.242 4.580 -1.507) 5.810 2.091 ( -0.939 5.193 6.746) 8.565 2.121 ( -2.725 3.168 4.706) 6.294 2.180 ( -1.313 3.278 6.446) 7.350 2.337 ( -2.081 1.089 7.707) 8.057 2.562 ( 1.727 -1.914 6.322) 6.828 2.765 ( 3.673 3.241 -2.062) 5.315 2.786 ( 4.951 2.332 -3.064) 6.272 2.944 ( 2.321 6.151 1.924) 6.850 2.973 ( 3.252 0.513 3.093) 4.518 3.055 ( -1.487 13.391 0.666) 13.490 3.198 ( -0.948 -1.473 -0.419) 1.801 3.291 ( 3.278 -4.183 -13.327) 14.348 3.459 ( 1.943 0.358 -8.470) 8.697 3.546 ( -0.952 3.415 -9.533) 10.171 3.705 ( -2.674 3.205 11.115) 11.873 3.851 ( 1.112 -1.970 1.888) 2.946 4.047 ( 0.835 -5.586 -0.243) 5.653 4.182 ( 0.429 -2.285 -2.029) 3.086 4.268 ( 3.971 1.007 -0.558) 4.135 4.410 ( -2.149 -1.988 -5.214) 5.980 4.842 ( -1.322 -4.086 -1.617) 4.589 4.869 ( 1.207 8.349 -2.078) 8.688 5.476 ( -0.275 -8.193 3.329) 8.847 5.549 ( -0.717 -9.372 -0.670) 9.423 5.578 ( 1.005 -0.469 0.886) 1.420 5.782 ( -1.813 5.634 -6.492) 8.785 6.191 ( 1.242 4.115 1.891) 4.696 6.299 ( 1.147 3.389 -2.432) 4.327 6.495 ( -1.553 -1.363 -1.609) 2.618 6.574 ( -0.086 -2.195 -4.129) 4.676 6.764 ( -4.654 -3.888 5.048) 7.890 6.970 ( 4.419 -2.505 -2.680) 5.743 7.091 ( -1.455 -1.054 8.108) 8.305 7.193 ( -3.528 -5.081 4.593) 7.705 7.334 ( 1.331 -8.793 -0.208) 8.896 7.371 ( -4.882 -22.025 1.302) 22.597 8.418 ( 2.420 3.825 4.904) 6.674 8.595 ( 1.696 2.076 -2.631) 3.756 8.866 ( -2.396 0.985 3.979) 4.748 9.030 ( -2.719 1.080 -4.982) 5.778 9.615 ( -0.035 6.533 1.333) 6.668 9.726 ( -3.159 11.030 -4.629) 12.372 10.042 ( 0.677 2.856 0.370) 2.958 10.080 ( -0.012 2.747 -1.084) 2.954 12.126 ( 3.914 -0.329 4.135) 5.703 12.325 ( 7.408 -2.714 -6.183) 10.024 12.568 ( 0.007 -0.261 0.324) 0.416 12.590 ( 0.496 -0.266 -0.709) 0.905 14.391 ( 1.481 0.765 4.830) 5.110 14.631 ( 1.946 -0.801 -6.772) 7.091 15.080 ( 1.594 -6.356 3.371) 7.369 15.254 ( 1.253 -8.885 -4.074) 9.855 19.326 ( 0.577 15.789 1.699) 15.891 19.526 ( -2.265 30.556 -12.439) 33.068 20.632 ( -0.247 13.565 0.863) 13.595 20.675 ( -0.216 14.515 -1.352) 14.579 22.278 ( -3.883 -2.913 6.363) 8.004 22.483 ( -12.714 -2.443 1.234) 13.005 23.279 ( 3.515 -7.551 8.636) 11.999 23.799 ( -3.197 -8.154 -14.442) 16.891 25.203 ( 1.929 -2.093 6.595) 7.183 25.373 ( 0.891 -3.109 -2.241) 3.935 25.726 ( -4.824 -1.784 10.824) 11.983 25.963 ( -13.459 -8.031 3.545) 16.069 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 10.038 2.624 13.138) 16.741 1.305 ( 2.020 32.900 1.229) 32.985 1.397 ( -0.837 30.801 -0.787) 30.823 1.451 ( 2.592 2.740 -5.155) 6.387 1.721 ( 2.653 3.851 5.498) 7.218 1.826 ( -4.406 1.384 5.675) 7.317 1.901 ( 3.241 6.849 -3.164) 8.211 1.958 ( 5.494 2.872 8.961) 10.896 2.039 ( -2.098 7.378 10.109) 12.690 2.064 ( -2.745 4.090 3.423) 5.998 2.210 ( 4.154 1.116 4.325) 6.100 2.294 ( -1.688 3.726 -0.103) 4.092 2.604 ( 2.613 0.196 1.845) 3.205 2.837 ( 2.834 -0.636 -6.423) 7.049 2.902 ( 5.322 3.812 6.230) 9.037 3.001 ( 2.462 11.879 2.631) 12.413 3.027 ( 0.655 10.641 0.355) 10.667 3.060 ( 5.429 -2.207 -1.608) 6.077 3.170 ( -1.429 -1.939 2.429) 3.421 3.312 ( -1.763 -2.065 -9.377) 9.762 3.492 ( -4.087 -1.632 -8.740) 9.785 3.544 ( 2.094 3.637 -8.643) 9.608 3.638 ( -0.735 1.857 1.588) 2.552 3.916 ( 4.959 -4.038 3.079) 7.097 4.094 ( 3.730 -1.894 1.534) 4.456 4.190 ( 0.479 -1.557 -5.104) 5.358 4.307 ( -0.736 -6.052 1.421) 6.260 4.387 ( 0.013 0.149 1.067) 1.078 4.813 ( -1.128 -1.750 0.347) 2.110 4.881 ( -0.547 9.002 -1.195) 9.098 5.473 ( 0.242 -11.950 2.287) 12.169 5.534 ( -0.867 -13.778 -0.907) 13.835 5.608 ( 1.951 6.908 2.340) 7.550 5.755 ( -1.114 6.698 -3.645) 7.707 6.206 ( 0.547 2.556 3.790) 4.604 6.311 ( -0.474 1.197 1.036) 1.652 6.515 ( 4.333 -0.524 -5.065) 6.686 6.559 ( -1.240 -1.381 -5.958) 6.241 6.666 ( -5.115 -3.236 5.642) 8.274 7.011 ( -0.512 -0.462 -1.735) 1.867 7.044 ( -3.143 -1.160 6.709) 7.499 7.104 ( -6.868 -5.404 4.023) 9.621 7.283 ( 0.374 -15.433 -1.930) 15.558 7.376 ( 0.929 -6.805 -3.049) 7.514 8.486 ( 4.322 3.461 4.560) 7.173 8.652 ( 3.844 1.610 -2.979) 5.123 8.798 ( -4.086 1.977 3.824) 5.935 8.960 ( -4.162 0.859 -4.190) 5.968 9.615 ( 0.113 6.397 1.342) 6.537 9.671 ( -2.116 8.105 -1.144) 8.455 10.055 ( 0.548 2.772 -0.193) 2.832 10.078 ( -0.190 2.912 -0.928) 3.062 12.231 ( 6.027 -0.005 3.901) 7.179 12.434 ( 2.573 -1.597 -5.077) 5.911 12.571 ( 0.462 -1.221 -1.278) 1.827 12.605 ( 0.726 -1.456 -2.165) 2.709 14.435 ( 2.862 1.133 4.694) 5.614 14.637 ( -1.663 0.248 -3.451) 3.839 15.142 ( 4.202 -8.596 -1.909) 9.757 15.276 ( 0.621 -10.051 -6.031) 11.738 19.343 ( 1.120 16.904 0.978) 16.969 19.470 ( -3.058 26.860 -7.387) 28.025 20.630 ( 0.138 12.596 0.528) 12.608 20.667 ( -0.579 14.495 -1.548) 14.588 22.182 ( -5.194 -1.656 7.977) 9.662 22.235 ( -10.166 -0.250 10.989) 14.972 23.366 ( 4.960 -6.915 1.009) 8.569 23.709 ( -5.521 -7.400 -12.456) 15.504 25.256 ( 3.323 -2.118 6.137) 7.293 25.401 ( 1.971 -2.925 -1.427) 3.805 25.602 ( -7.163 -1.511 8.028) 10.865 25.707 ( -10.724 -3.283 5.329) 12.417 ======================= Grid point 108 (40/64) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 9.494 8.143 6.429) 14.063 1.349 ( -2.377 30.949 0.739) 31.049 1.367 ( 2.258 20.570 0.254) 20.695 1.447 ( -3.411 7.566 -2.308) 8.615 1.761 ( 1.886 5.005 6.252) 8.228 1.782 ( 0.219 3.221 5.557) 6.427 1.925 ( -1.259 2.791 3.563) 4.698 1.968 ( -0.221 8.077 2.901) 8.585 1.987 ( -1.538 4.531 0.257) 4.792 2.043 ( -2.630 6.255 3.210) 7.507 2.282 ( 3.565 2.616 2.835) 5.253 2.320 ( 1.069 1.810 7.100) 7.405 2.701 ( 7.711 -0.189 -3.781) 8.590 2.843 ( -3.834 -1.703 -7.063) 8.215 2.949 ( 1.015 7.987 4.094) 9.032 2.980 ( -1.969 10.584 2.617) 11.079 3.146 ( 4.852 1.891 3.726) 6.404 3.178 ( 3.940 -0.776 -0.479) 4.044 3.181 ( 5.398 0.673 0.336) 5.450 3.262 ( -0.829 0.720 -7.650) 7.729 3.370 ( -6.381 0.495 -4.541) 7.847 3.428 ( -8.740 4.238 5.280) 11.056 3.785 ( 9.763 -2.663 -13.911) 17.202 3.942 ( -4.356 -5.197 -8.576) 10.933 4.185 ( 5.127 1.017 2.837) 5.947 4.250 ( 5.718 -3.359 1.953) 6.913 4.269 ( -2.938 -6.222 4.360) 8.146 4.356 ( -3.735 -1.267 2.773) 4.821 4.809 ( 0.791 2.458 0.693) 2.673 4.845 ( -2.503 6.304 -0.347) 6.792 5.490 ( 1.265 -13.918 0.976) 14.009 5.514 ( -1.094 -14.435 -0.142) 14.478 5.658 ( 3.084 8.926 2.732) 9.831 5.720 ( -2.649 8.333 0.183) 8.746 6.234 ( 2.412 1.185 5.371) 6.005 6.284 ( -2.076 0.558 3.849) 4.409 6.534 ( -0.369 -1.358 -5.053) 5.246 6.567 ( -3.652 -1.894 0.513) 4.145 6.668 ( 9.553 -2.079 -5.902) 11.420 6.881 ( -10.885 -4.433 -4.708) 12.661 7.005 ( -0.047 0.033 6.062) 6.062 7.023 ( -1.646 -0.050 6.233) 6.447 7.333 ( 2.967 -9.599 -4.062) 10.837 7.375 ( -1.121 -7.945 -4.174) 9.044 8.584 ( 5.238 2.872 4.256) 7.335 8.684 ( -3.945 1.666 3.104) 5.289 8.766 ( 4.035 2.027 -2.673) 5.247 8.866 ( -5.138 0.998 -3.953) 6.559 9.622 ( 0.581 6.255 1.179) 6.391 9.639 ( -1.180 6.573 0.481) 6.696 10.065 ( 0.455 2.706 -0.494) 2.788 10.073 ( -0.342 2.775 -0.730) 2.889 12.348 ( 5.254 0.127 2.711) 5.914 12.429 ( -2.591 -0.031 0.176) 2.597 12.589 ( 1.206 -1.894 -3.404) 4.078 12.608 ( -0.479 -2.082 -3.569) 4.160 14.502 ( 3.708 1.373 3.398) 5.213 14.578 ( -3.710 1.179 0.709) 3.957 15.223 ( 3.439 -9.815 -5.506) 11.768 15.271 ( -1.276 -10.360 -6.677) 12.392 19.371 ( 1.741 19.051 -0.429) 19.135 19.413 ( -2.534 22.493 -3.037) 22.838 20.638 ( 0.626 12.808 -0.363) 12.829 20.653 ( -0.780 13.736 -1.199) 13.810 22.096 ( -2.365 0.228 11.547) 11.789 22.106 ( -3.216 -0.460 10.415) 10.910 23.472 ( 5.687 -6.702 -4.511) 9.880 23.591 ( -6.083 -6.848 -8.965) 12.816 25.338 ( 5.030 -1.767 6.042) 8.058 25.454 ( 2.415 -2.461 0.380) 3.469 25.458 ( -5.853 -1.563 6.127) 8.616 25.545 ( -5.910 -2.252 2.514) 6.806 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 4.425 11.453) 12.278 1.193 ( 0.000 -6.057 -1.246) 6.184 1.501 ( 0.000 2.744 3.551) 4.488 1.537 ( 0.000 -0.824 -1.441) 1.660 1.937 ( 0.000 13.708 4.483) 14.423 2.038 ( 0.000 1.890 -1.427) 2.369 2.081 ( 0.000 9.755 3.611) 10.402 2.082 ( 0.000 9.702 2.857) 10.113 2.119 ( 0.000 3.008 10.569) 10.988 2.313 ( 0.000 -0.781 13.302) 13.325 2.368 ( 0.000 10.870 11.720) 15.985 2.533 ( 0.000 7.027 8.648) 11.143 2.603 ( 0.000 23.045 -0.812) 23.059 2.696 ( 0.000 1.444 -9.065) 9.179 2.793 ( 0.000 -0.794 -0.519) 0.949 2.978 ( 0.000 1.011 -0.049) 1.013 3.030 ( 0.000 13.670 -3.620) 14.141 3.115 ( 0.000 -4.742 -8.749) 9.951 3.249 ( 0.000 1.868 -7.431) 7.662 3.314 ( 0.000 4.824 -7.065) 8.555 3.577 ( 0.000 14.067 0.975) 14.101 3.639 ( 0.000 2.417 3.175) 3.991 3.764 ( 0.000 -0.223 0.817) 0.846 3.888 ( 0.000 6.600 -11.451) 13.217 3.991 ( 0.000 2.820 4.713) 5.492 4.185 ( 0.000 2.099 7.700) 7.981 4.224 ( 0.000 -1.453 -1.995) 2.469 4.440 ( 0.000 3.617 -7.462) 8.293 4.749 ( 0.000 -5.915 5.779) 8.270 4.918 ( 0.000 -2.217 -6.125) 6.514 5.162 ( 0.000 -19.424 2.396) 19.572 5.211 ( 0.000 -18.500 -0.106) 18.501 5.762 ( 0.000 10.631 -2.440) 10.907 5.946 ( 0.000 7.022 -8.692) 11.173 6.253 ( 0.000 2.775 1.057) 2.969 6.326 ( 0.000 -1.369 -0.809) 1.591 6.482 ( 0.000 -2.457 -2.477) 3.488 6.484 ( 0.000 -4.455 -2.746) 5.233 6.711 ( 0.000 -7.166 1.970) 7.432 6.748 ( 0.000 -7.549 -1.093) 7.628 7.068 ( 0.000 -6.770 7.942) 10.435 7.074 ( 0.000 -1.805 7.422) 7.638 7.129 ( 0.000 -2.993 2.879) 4.153 7.235 ( 0.000 -3.506 -1.219) 3.711 8.460 ( 0.000 2.385 5.301) 5.812 8.576 ( 0.000 -1.492 0.542) 1.588 8.907 ( 0.000 1.099 2.164) 2.427 9.040 ( 0.000 -2.306 -4.897) 5.413 9.774 ( 0.000 7.920 2.692) 8.365 9.953 ( 0.000 4.750 -6.038) 7.682 10.101 ( 0.000 3.512 0.743) 3.590 10.141 ( 0.000 2.964 -1.779) 3.457 12.079 ( 0.000 0.187 2.297) 2.304 12.190 ( 0.000 -2.167 -2.706) 3.467 12.571 ( 0.000 0.295 0.496) 0.577 12.587 ( 0.000 -0.010 -0.301) 0.301 14.397 ( 0.000 1.470 3.204) 3.524 14.571 ( 0.000 -2.381 -5.473) 5.969 14.956 ( 0.000 -4.650 3.980) 6.121 15.070 ( 0.000 -7.496 -1.542) 7.653 19.723 ( 0.000 21.985 5.079) 22.563 20.156 ( 0.000 21.958 -19.611) 29.441 21.020 ( 0.000 21.784 -3.082) 22.001 21.048 ( 0.000 20.185 -1.636) 20.251 22.243 ( 0.000 -3.374 3.373) 4.771 22.508 ( 0.000 -7.811 -10.428) 13.029 23.064 ( 0.000 -7.338 14.738) 16.464 23.580 ( 0.000 -15.414 -11.572) 19.275 25.138 ( 0.000 -1.901 5.213) 5.549 25.277 ( 0.000 -5.019 -1.862) 5.353 25.736 ( 0.000 -1.623 10.945) 11.065 25.894 ( 0.000 -8.866 7.043) 11.323 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 5.516 6.945 11.669) 14.657 1.267 ( 6.028 -4.350 -3.425) 8.185 1.553 ( 3.529 -1.911 0.524) 4.047 1.590 ( 6.239 1.072 1.428) 6.490 1.900 ( -3.939 8.649 5.292) 10.878 2.003 ( -4.843 5.973 4.362) 8.841 2.065 ( 1.373 6.397 4.347) 7.855 2.084 ( 1.613 5.054 4.785) 7.144 2.176 ( 3.036 7.873 3.755) 9.236 2.262 ( -3.529 7.305 10.540) 13.300 2.376 ( 0.200 4.100 9.565) 10.409 2.542 ( 0.047 18.284 4.115) 18.741 2.615 ( 2.578 15.679 1.480) 15.959 2.751 ( 4.316 -0.350 -9.754) 10.671 2.856 ( 4.367 -1.154 0.165) 4.520 2.980 ( 0.198 4.042 0.150) 4.050 3.042 ( 3.413 7.337 -2.959) 8.616 3.174 ( 4.068 1.732 -5.634) 7.162 3.253 ( -0.022 2.554 -8.211) 8.600 3.312 ( 0.154 3.037 -6.830) 7.477 3.538 ( -2.451 10.334 0.642) 10.640 3.660 ( 0.663 5.550 -0.250) 5.595 3.766 ( -0.483 2.109 2.155) 3.053 3.867 ( -1.443 4.172 -8.032) 9.165 3.977 ( -0.319 1.427 4.341) 4.581 4.168 ( 0.374 0.762 6.511) 6.566 4.252 ( 0.011 -2.558 -2.908) 3.872 4.433 ( -0.482 4.311 -5.900) 7.324 4.743 ( 0.320 -4.996 6.532) 8.230 4.955 ( 2.815 -1.636 -4.776) 5.780 5.150 ( -1.270 -18.758 1.919) 18.899 5.196 ( -1.324 -19.009 -0.348) 19.058 5.780 ( 1.704 10.779 -1.527) 11.020 5.934 ( -0.567 8.082 -6.510) 10.393 6.255 ( -0.722 1.305 1.858) 2.382 6.325 ( 0.131 -1.165 -0.632) 1.332 6.458 ( -0.593 -2.013 -3.221) 3.844 6.506 ( 0.800 -4.098 -3.660) 5.552 6.661 ( -2.929 -4.649 2.448) 6.016 6.828 ( 5.069 -10.501 -4.288) 12.424 7.039 ( -2.279 -4.270 7.316) 8.772 7.071 ( -0.463 -2.437 7.539) 7.936 7.101 ( -2.437 -2.375 2.761) 4.382 7.240 ( 0.323 -4.510 -1.641) 4.810 8.485 ( 2.388 2.475 4.974) 6.047 8.598 ( 2.151 -1.200 0.132) 2.466 8.888 ( -1.875 1.229 2.225) 3.159 9.016 ( -2.270 -1.986 -4.487) 5.407 9.773 ( -0.040 8.029 2.426) 8.388 9.917 ( -3.134 6.766 -4.376) 8.646 10.091 ( -0.366 1.866 1.046) 2.170 10.152 ( 0.336 3.063 -2.246) 3.814 12.125 ( 4.323 0.336 2.409) 4.960 12.260 ( 6.043 -3.344 -4.067) 8.015 12.565 ( -0.629 0.058 0.568) 0.850 12.585 ( -0.211 -0.302 -0.439) 0.573 14.416 ( 1.893 1.691 3.380) 4.227 14.602 ( 2.584 -2.293 -5.815) 6.764 14.944 ( -0.896 -5.577 3.924) 6.878 15.071 ( -0.025 -8.154 -2.151) 8.433 19.739 ( 1.597 22.605 4.608) 23.126 20.139 ( -1.857 24.155 -18.477) 30.469 20.952 ( -4.529 16.091 1.123) 16.754 21.058 ( -0.782 20.326 -4.550) 20.844 22.220 ( -2.069 -1.761 4.193) 4.996 22.434 ( -6.630 -1.598 -3.738) 7.777 23.091 ( 2.670 -9.601 9.768) 13.954 23.555 ( -2.560 -15.240 -11.286) 19.136 25.156 ( 1.728 -2.029 5.085) 5.741 25.287 ( 1.041 -4.926 -1.612) 5.287 25.688 ( -4.547 -1.525 9.796) 10.907 25.805 ( -7.844 -6.403 7.282) 12.472 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 10.139 8.765 9.191) 16.251 1.387 ( 5.312 0.329 -4.445) 6.934 1.635 ( 4.443 -0.934 1.329) 4.730 1.724 ( 4.101 1.353 -1.881) 4.710 1.801 ( -3.805 2.040 6.258) 7.602 1.912 ( -3.465 0.152 3.923) 5.236 2.059 ( -3.779 9.337 11.179) 15.047 2.105 ( -0.963 5.833 9.839) 11.479 2.220 ( 3.486 2.745 0.020) 4.437 2.277 ( 5.168 11.008 -0.535) 12.172 2.375 ( -0.313 7.045 7.456) 10.262 2.524 ( -1.355 23.027 -1.046) 23.090 2.695 ( 4.163 12.056 0.331) 12.759 2.808 ( 1.759 -1.308 -9.228) 9.485 2.958 ( 5.401 3.027 2.937) 6.853 3.021 ( 3.492 1.915 -0.079) 3.983 3.118 ( 1.973 3.436 -3.497) 5.285 3.240 ( 0.355 5.794 -3.517) 6.787 3.249 ( 2.869 8.732 -4.864) 10.399 3.335 ( 1.943 1.799 -1.542) 3.064 3.490 ( -2.920 6.163 -3.632) 7.727 3.662 ( 0.870 6.742 -7.883) 10.410 3.715 ( -4.977 5.034 5.389) 8.897 3.850 ( 0.016 -0.553 -1.469) 1.569 4.016 ( 3.456 -4.295 1.956) 5.850 4.189 ( -1.403 -1.158 -1.676) 2.474 4.230 ( 1.555 -0.249 3.727) 4.046 4.418 ( -0.945 2.828 -2.152) 3.677 4.775 ( 2.462 -2.098 6.411) 7.181 4.989 ( -0.708 0.848 -2.890) 3.094 5.115 ( -1.398 -20.483 1.216) 20.566 5.168 ( -1.354 -19.687 -0.997) 19.759 5.822 ( 2.504 10.930 0.782) 11.240 5.940 ( 0.927 10.359 -3.135) 10.862 6.226 ( -1.220 -1.053 3.877) 4.198 6.319 ( -1.032 -0.143 0.907) 1.381 6.487 ( 3.829 -2.492 -5.298) 6.996 6.509 ( -0.545 -3.278 -4.518) 5.608 6.596 ( -3.674 -2.468 1.522) 4.680 6.869 ( -2.780 -11.290 -5.089) 12.692 7.013 ( -0.250 -0.467 3.708) 3.745 7.052 ( -1.661 -0.171 4.344) 4.654 7.075 ( 1.925 -5.319 4.009) 6.933 7.239 ( -0.598 -6.048 -2.577) 6.601 8.551 ( 4.130 2.620 4.216) 6.457 8.659 ( 3.855 -0.665 -0.798) 3.993 8.835 ( -3.313 1.547 2.427) 4.389 8.954 ( -3.841 -1.433 -3.634) 5.478 9.774 ( 0.183 8.337 1.855) 8.542 9.853 ( -2.898 8.597 -1.660) 9.223 10.092 ( 0.423 0.755 0.530) 1.015 10.146 ( -0.756 2.398 -1.982) 3.201 12.235 ( 6.231 0.512 2.397) 6.696 12.382 ( 5.167 -3.317 -4.754) 7.765 12.545 ( -1.321 -0.847 0.522) 1.653 12.578 ( -0.567 -1.215 -1.012) 1.680 14.470 ( 3.357 2.229 3.444) 5.300 14.642 ( 0.603 0.020 -4.284) 4.326 14.941 ( 1.071 -9.216 1.809) 9.452 15.063 ( -0.813 -9.691 -3.219) 10.244 19.787 ( 3.170 24.392 3.027) 24.782 20.075 ( -4.468 28.241 -13.635) 31.677 20.879 ( -2.156 8.909 2.762) 9.573 21.013 ( -3.375 15.560 -5.034) 16.698 22.175 ( -2.013 2.666 5.964) 6.836 22.290 ( -6.760 7.275 4.646) 10.964 23.164 ( 4.531 -12.310 2.218) 13.304 23.481 ( -4.728 -14.750 -9.914) 18.390 25.208 ( 3.529 -2.068 4.950) 6.421 25.321 ( 2.426 -4.540 -0.852) 5.218 25.569 ( -7.030 -1.409 7.572) 10.428 25.633 ( -8.400 -3.426 5.897) 10.820 ======================= Grid point 115 (44/64) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 9.511 7.970 4.911) 13.345 1.446 ( -0.866 4.634 -0.686) 4.764 1.680 ( -1.889 4.084 -0.156) 4.503 1.686 ( -0.671 3.562 -0.340) 3.640 1.849 ( 4.620 0.225 4.662) 6.567 1.908 ( 3.386 -3.149 2.717) 5.363 1.953 ( -5.286 4.614 8.992) 11.405 2.027 ( -6.397 1.246 5.625) 8.609 2.302 ( 3.964 7.140 2.257) 8.473 2.358 ( -1.429 10.919 4.691) 11.970 2.412 ( 6.179 9.873 -0.251) 11.649 2.493 ( -2.192 19.073 -1.035) 19.227 2.770 ( 3.848 10.568 -4.162) 11.992 2.830 ( -0.804 3.914 -6.168) 7.349 3.014 ( 1.732 0.221 -0.176) 1.754 3.064 ( -2.723 0.162 -2.191) 3.498 3.155 ( 5.584 4.622 -0.845) 7.298 3.232 ( -1.547 5.862 -3.549) 7.025 3.336 ( 2.823 7.330 0.468) 7.869 3.385 ( 2.201 12.370 3.007) 12.919 3.416 ( -0.301 4.444 -2.937) 5.336 3.570 ( -8.871 8.369 4.479) 12.992 3.742 ( 6.211 -0.019 -9.702) 11.520 3.841 ( -2.443 -3.615 -3.874) 5.834 4.070 ( 1.990 -8.057 0.828) 8.340 4.120 ( -3.401 -6.019 -2.069) 7.217 4.327 ( 5.653 5.025 6.216) 9.790 4.400 ( -1.483 4.506 2.628) 5.423 4.827 ( 3.042 -1.138 2.990) 4.415 4.914 ( -5.329 -0.105 -0.555) 5.359 5.117 ( 1.051 -20.748 -0.143) 20.775 5.141 ( -1.301 -20.199 -0.895) 20.260 5.882 ( 3.362 11.399 2.289) 12.103 5.939 ( -1.679 11.780 0.791) 11.925 6.236 ( 2.214 -1.085 4.729) 5.333 6.286 ( -2.205 -0.294 3.276) 3.960 6.495 ( -0.261 -2.355 -4.408) 5.005 6.521 ( -3.013 -1.660 -2.154) 4.059 6.603 ( 7.151 -4.130 -5.746) 10.061 6.755 ( -7.397 -6.958 -4.489) 11.103 7.008 ( 0.330 0.159 3.998) 4.015 7.026 ( -1.194 0.098 4.608) 4.761 7.148 ( 3.968 -7.246 -1.845) 8.464 7.211 ( -2.242 -7.103 -3.046) 8.047 8.642 ( 4.712 2.597 3.312) 6.318 8.718 ( -0.932 1.450 0.767) 1.886 8.787 ( 1.380 0.043 0.235) 1.401 8.867 ( -4.689 -1.017 -2.638) 5.475 9.783 ( 0.756 8.716 1.160) 8.826 9.807 ( -1.698 8.948 0.126) 9.109 10.106 ( 0.905 0.753 -0.307) 1.217 10.127 ( -1.103 1.442 -1.206) 2.179 12.355 ( 5.363 0.681 1.721) 5.674 12.429 ( -1.241 0.090 -0.884) 1.526 12.532 ( 0.789 -3.277 -1.750) 3.798 12.559 ( -1.291 -2.547 -2.035) 3.507 14.544 ( 3.907 2.772 2.523) 5.414 14.616 ( -2.904 2.512 -0.101) 3.841 14.985 ( 2.819 -11.913 -2.086) 12.419 15.035 ( -2.035 -11.357 -3.579) 12.081 19.865 ( 4.702 26.975 -0.259) 27.383 19.971 ( -5.615 29.128 -6.105) 30.286 20.877 ( 1.810 6.514 0.089) 6.762 20.937 ( -3.844 9.722 -3.284) 10.958 22.153 ( 0.087 7.767 7.415) 10.739 22.187 ( -3.407 10.252 7.538) 13.173 23.265 ( 5.389 -13.564 -3.279) 14.959 23.375 ( -5.585 -14.195 -7.204) 16.870 25.298 ( 5.485 -1.770 5.120) 7.710 25.386 ( 4.081 -3.780 0.580) 5.593 25.424 ( -7.008 -1.462 5.957) 9.313 25.488 ( -6.139 -3.003 3.006) 7.467 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 4.035 2.160) 4.576 1.082 ( 0.000 -4.633 -2.095) 5.084 1.544 ( 0.000 1.380 -1.710) 2.198 1.553 ( 0.000 1.309 -1.324) 1.862 2.039 ( 0.000 0.261 4.934) 4.940 2.041 ( 0.000 -0.425 4.092) 4.114 2.127 ( 0.000 2.505 19.141) 19.304 2.175 ( 0.000 -0.470 15.590) 15.598 2.309 ( 0.000 1.726 7.030) 7.238 2.319 ( 0.000 5.694 0.932) 5.770 2.413 ( 0.000 3.812 10.654) 11.315 2.577 ( 0.000 -7.316 -2.105) 7.613 2.707 ( 0.000 1.875 -7.624) 7.851 2.753 ( 0.000 -3.741 -7.084) 8.011 2.848 ( 0.000 7.466 2.207) 7.785 2.989 ( 0.000 -5.914 -3.467) 6.855 3.242 ( 0.000 2.811 -10.051) 10.437 3.250 ( 0.000 2.060 -6.191) 6.525 3.430 ( 0.000 20.524 -1.555) 20.582 3.495 ( 0.000 12.104 -7.640) 14.314 3.657 ( 0.000 0.303 -0.594) 0.666 3.719 ( 0.000 -2.740 -4.520) 5.286 3.872 ( 0.000 12.558 1.755) 12.680 4.005 ( 0.000 2.895 -3.900) 4.857 4.114 ( 0.000 3.869 6.787) 7.813 4.150 ( 0.000 -4.917 1.609) 5.174 4.302 ( 0.000 12.015 8.032) 14.452 4.571 ( 0.000 -0.428 3.547) 3.572 4.658 ( 0.000 2.058 -2.364) 3.134 4.723 ( 0.000 -12.822 0.357) 12.827 4.745 ( 0.000 -15.384 1.612) 15.469 4.904 ( 0.000 -11.674 -5.920) 13.089 5.945 ( 0.000 6.929 -5.153) 8.635 6.031 ( 0.000 -0.351 -8.457) 8.464 6.267 ( 0.000 -1.303 2.000) 2.387 6.276 ( 0.000 -0.470 0.170) 0.500 6.433 ( 0.000 -0.864 -4.170) 4.259 6.438 ( 0.000 -1.424 -3.962) 4.210 6.625 ( 0.000 -1.547 0.038) 1.548 6.636 ( 0.000 -2.840 -0.905) 2.981 7.016 ( 0.000 -0.191 6.876) 6.879 7.034 ( 0.000 -1.710 6.839) 7.049 7.116 ( 0.000 1.183 1.550) 1.950 7.164 ( 0.000 -3.160 0.069) 3.160 8.499 ( 0.000 1.682 4.090) 4.422 8.537 ( 0.000 -2.028 2.453) 3.183 8.937 ( 0.000 1.885 -0.277) 1.905 8.985 ( 0.000 -2.708 -2.724) 3.842 9.915 ( 0.000 5.417 1.704) 5.678 9.985 ( 0.000 -1.200 -1.340) 1.799 10.162 ( 0.000 2.103 -0.074) 2.104 10.179 ( 0.000 0.516 -1.216) 1.321 12.098 ( 0.000 1.616 -0.032) 1.617 12.141 ( 0.000 -2.410 -1.890) 3.062 12.578 ( 0.000 0.360 0.266) 0.447 12.585 ( 0.000 -0.215 -0.043) 0.219 14.439 ( 0.000 2.690 0.797) 2.805 14.506 ( 0.000 -3.605 -2.445) 4.356 14.906 ( 0.000 -0.087 1.662) 1.664 14.949 ( 0.000 -4.120 -0.387) 4.138 20.145 ( 0.000 17.312 4.349) 17.850 20.360 ( 0.000 -1.738 -4.838) 5.141 21.411 ( 0.000 12.292 -5.353) 13.407 21.420 ( 0.000 12.666 -10.889) 16.703 22.214 ( 0.000 1.499 -0.841) 1.719 22.330 ( 0.000 -8.698 -8.594) 12.227 23.011 ( 0.000 3.986 7.588) 8.571 23.238 ( 0.000 -16.233 -3.686) 16.646 25.124 ( 0.000 0.851 2.405) 2.551 25.177 ( 0.000 -4.153 -0.255) 4.161 25.723 ( 0.000 0.574 9.928) 9.945 25.767 ( 0.000 -3.878 9.133) 9.923 ======================= Grid point 120 (46/64) ======================= q-point: ( 0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 9.880 6.106 3.005) 11.997 1.194 ( 10.126 -3.117 -1.731) 10.736 1.530 ( 0.158 0.779 -0.421) 0.899 1.577 ( 1.476 -2.423 -2.223) 3.604 1.996 ( -4.723 3.329 8.713) 10.455 2.042 ( -5.885 -0.521 14.305) 15.476 2.124 ( 4.875 0.063 2.591) 5.521 2.126 ( -0.232 0.454 9.852) 9.866 2.323 ( 1.346 4.499 2.525) 5.332 2.375 ( -1.993 0.030 10.688) 10.872 2.405 ( 2.899 7.717 4.515) 9.399 2.605 ( 0.753 -8.356 0.647) 8.414 2.730 ( 2.930 0.723 -7.117) 7.730 2.750 ( 0.995 -1.587 -7.943) 8.161 2.920 ( 6.811 6.341 3.034) 9.788 3.040 ( 4.773 -4.714 -2.992) 7.346 3.227 ( -1.042 4.168 -9.506) 10.432 3.265 ( 0.254 -0.962 -9.116) 9.170 3.432 ( 0.927 17.724 -1.099) 17.782 3.536 ( 3.802 15.077 -5.259) 16.414 3.644 ( -0.370 0.986 1.064) 1.497 3.759 ( 2.479 -2.376 -3.567) 4.951 3.853 ( -1.641 12.714 1.715) 12.934 3.994 ( -1.855 7.735 -5.126) 9.463 4.092 ( -2.011 4.409 6.824) 8.370 4.131 ( -1.431 -5.531 2.810) 6.367 4.255 ( -3.194 5.766 6.910) 9.550 4.495 ( -6.390 -7.600 -4.216) 10.787 4.641 ( 0.863 -4.070 5.508) 6.903 4.736 ( -0.307 -10.823 -0.330) 10.832 4.822 ( 4.744 -7.107 0.751) 8.578 4.929 ( 2.219 -8.231 -3.796) 9.332 5.967 ( 1.971 7.081 -3.703) 8.231 6.047 ( 1.752 0.830 -6.598) 6.877 6.243 ( -2.001 0.015 1.750) 2.658 6.285 ( 0.680 -2.416 -0.680) 2.600 6.425 ( -0.662 -0.576 -3.524) 3.632 6.442 ( 0.461 -1.928 -3.691) 4.190 6.616 ( -0.451 0.314 -0.609) 0.820 6.668 ( 2.120 -4.825 -2.357) 5.773 7.005 ( -0.778 -0.006 6.199) 6.247 7.025 ( -0.796 -1.790 6.312) 6.609 7.100 ( -1.452 1.574 1.522) 2.627 7.155 ( -0.807 -3.618 -0.195) 3.712 8.525 ( 2.577 1.750 3.765) 4.887 8.563 ( 2.541 -1.902 2.100) 3.806 8.919 ( -1.762 1.881 -0.112) 2.580 8.966 ( -1.873 -2.581 -2.474) 4.036 9.918 ( 0.370 5.645 1.583) 5.874 9.986 ( 0.135 -0.355 -1.484) 1.531 10.134 ( -2.103 2.618 0.639) 3.418 10.176 ( -0.761 -0.747 -1.446) 1.796 12.145 ( 4.457 1.734 0.045) 4.783 12.194 ( 4.904 -2.927 -2.180) 6.113 12.570 ( -0.901 0.333 0.276) 1.000 12.578 ( -0.723 -0.389 -0.122) 0.831 14.463 ( 2.348 2.936 0.977) 3.885 14.535 ( 2.820 -3.834 -2.507) 5.379 14.886 ( -1.928 0.058 1.746) 2.602 14.937 ( -1.208 -4.673 -0.701) 4.878 20.174 ( 2.917 17.876 4.094) 18.569 20.388 ( 2.772 -0.617 -5.195) 5.920 21.256 ( -11.758 12.325 -4.560) 17.634 21.359 ( -7.921 5.138 -8.911) 12.983 22.258 ( 4.210 6.500 -0.141) 7.745 22.404 ( 5.906 -3.897 -8.189) 10.822 22.976 ( -3.086 2.104 7.424) 8.310 23.207 ( -3.032 -17.030 -3.898) 17.731 25.139 ( 1.549 0.740 2.475) 3.012 25.190 ( 1.302 -4.021 -0.064) 4.227 25.675 ( -4.602 0.388 9.040) 10.151 25.709 ( -5.364 -3.049 8.437) 10.453 ======================= Grid point 121 (47/64) ======================= q-point: ( 0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 11.993 10.572 3.932) 16.464 1.423 ( 11.050 2.142 -1.551) 11.362 1.571 ( 4.382 -3.211 0.064) 5.433 1.628 ( 4.282 -7.667 -0.763) 8.815 1.869 ( -6.694 3.133 6.482) 9.830 1.909 ( -6.336 -0.739 9.251) 11.237 2.146 ( -1.635 2.614 9.883) 10.353 2.187 ( -4.388 -0.989 5.115) 6.812 2.296 ( 2.477 6.465 1.314) 7.047 2.369 ( 2.378 0.138 -0.666) 2.474 2.465 ( 2.298 3.873 3.973) 6.006 2.588 ( -1.015 -6.848 -0.884) 6.979 2.814 ( 4.828 0.258 -7.882) 9.247 2.821 ( 5.006 0.035 -4.088) 6.463 3.073 ( 5.490 3.907 1.452) 6.892 3.111 ( -0.391 0.389 -6.664) 6.687 3.215 ( 1.211 3.445 -6.580) 7.526 3.284 ( 4.867 -3.866 -3.232) 7.006 3.480 ( 3.429 16.479 1.119) 16.870 3.636 ( -0.637 8.477 -0.257) 8.505 3.640 ( 5.340 10.800 -1.186) 12.106 3.770 ( -1.342 3.406 1.732) 4.050 3.827 ( -1.769 10.772 0.549) 10.930 3.929 ( -2.717 10.226 -4.421) 11.467 4.033 ( -4.575 7.275 3.878) 9.429 4.083 ( -4.025 -6.890 2.338) 8.315 4.236 ( 2.249 -4.634 3.548) 6.255 4.397 ( -2.773 -13.523 -4.484) 14.514 4.662 ( 1.631 -6.531 3.731) 7.697 4.734 ( 0.393 -11.797 -0.313) 11.808 4.877 ( 0.395 -1.717 1.884) 2.579 4.954 ( -0.780 -4.756 -0.778) 4.882 6.014 ( 2.713 7.309 0.081) 7.797 6.104 ( 3.723 1.221 -2.258) 4.522 6.203 ( -1.683 2.800 1.795) 3.727 6.296 ( -0.150 -2.940 -0.059) 2.944 6.428 ( 1.414 -1.439 -4.336) 4.782 6.449 ( 0.475 -2.694 -3.414) 4.375 6.594 ( -2.153 2.383 -2.645) 4.161 6.686 ( -1.093 -6.497 -4.174) 7.799 7.002 ( 0.662 -0.451 3.639) 3.726 7.010 ( -0.208 -1.467 4.652) 4.882 7.068 ( -1.640 1.896 1.648) 3.000 7.132 ( -1.509 -4.298 -0.706) 4.610 8.596 ( 4.354 1.932 2.952) 5.604 8.633 ( 4.372 -1.653 1.202) 4.826 8.868 ( -3.299 1.852 0.370) 3.801 8.912 ( -3.449 -2.331 -1.817) 4.541 9.931 ( 0.893 6.340 1.309) 6.535 9.989 ( 0.076 2.812 -1.561) 3.217 10.093 ( -1.743 0.762 1.375) 2.347 10.148 ( -1.925 -2.268 -1.381) 3.280 12.258 ( 6.322 1.849 0.170) 6.589 12.311 ( 6.185 -3.242 -2.388) 7.380 12.540 ( -2.129 0.301 0.293) 2.170 12.554 ( -1.660 -0.989 -0.431) 1.980 14.529 ( 4.132 3.615 1.280) 5.637 14.610 ( 4.367 -3.527 -2.649) 6.207 14.833 ( -3.227 -0.408 1.899) 3.767 14.899 ( -2.617 -6.027 -1.310) 6.700 20.261 ( 5.692 19.647 3.148) 20.696 20.463 ( 4.409 4.530 -6.288) 8.916 21.000 ( -12.567 6.791 -0.055) 14.285 21.153 ( -11.557 -3.139 -6.956) 13.849 22.359 ( 5.417 14.422 1.270) 15.458 22.512 ( 3.944 8.389 -5.554) 10.807 22.914 ( -2.189 -6.906 5.124) 8.874 23.123 ( -5.176 -18.818 -4.184) 19.960 25.189 ( 3.514 0.521 2.782) 4.512 25.233 ( 3.071 -3.588 0.566) 4.756 25.554 ( -7.071 0.132 7.026) 9.969 25.576 ( -7.358 -1.997 6.413) 9.963 ======================= Grid point 122 (48/64) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.920 10.937 2.962) 13.277 1.575 ( 3.835 6.832 0.120) 7.835 1.687 ( 4.010 -2.806 1.359) 5.080 1.723 ( -1.246 -2.723 -0.193) 3.001 1.811 ( 7.786 -2.455 4.711) 9.426 1.830 ( 1.356 -1.991 4.959) 5.513 1.994 ( -10.816 1.033 4.322) 11.693 2.022 ( -10.260 -1.375 4.912) 11.458 2.402 ( 5.293 4.183 1.370) 6.884 2.457 ( 3.160 1.498 0.742) 3.575 2.486 ( 1.299 0.815 1.114) 1.895 2.561 ( -2.628 -4.038 -0.448) 4.839 2.909 ( 4.773 1.816 -7.032) 8.691 2.927 ( 5.253 0.404 -7.023) 8.779 3.026 ( -4.850 0.837 -7.648) 9.095 3.055 ( -5.261 -1.521 -7.868) 9.587 3.357 ( 10.163 6.749 5.009) 13.188 3.441 ( 8.042 -1.009 2.389) 8.450 3.536 ( 0.345 9.260 2.009) 9.481 3.550 ( -6.828 7.008 5.702) 11.325 3.702 ( -0.412 14.151 0.638) 14.171 3.744 ( -4.470 18.041 1.776) 18.671 3.805 ( 5.563 8.604 -2.674) 10.590 3.921 ( -5.717 10.783 -1.666) 12.318 3.930 ( 1.638 -1.845 -1.382) 2.828 3.990 ( -4.396 -3.848 -0.268) 5.848 4.314 ( 4.149 -13.582 0.704) 14.219 4.368 ( -1.257 -16.567 -2.039) 16.739 4.720 ( 4.130 -3.828 2.514) 6.167 4.764 ( 2.118 -6.640 0.858) 7.023 4.841 ( -2.681 -3.190 1.534) 4.441 4.889 ( -4.975 -4.840 0.062) 6.941 6.083 ( 4.114 7.541 2.763) 9.023 6.157 ( -2.156 8.336 1.951) 8.829 6.191 ( 3.359 -3.294 3.828) 6.066 6.264 ( -2.968 -2.403 3.115) 4.928 6.460 ( 2.322 -0.043 -5.051) 5.559 6.511 ( 5.287 -4.358 -5.944) 9.070 6.529 ( -3.958 2.625 -5.098) 6.967 6.620 ( -5.018 -5.813 -5.104) 9.221 7.012 ( 0.851 0.426 2.713) 2.875 7.034 ( -0.776 0.846 2.090) 2.384 7.046 ( 1.914 -2.496 0.483) 3.182 7.095 ( -2.257 -4.288 -0.778) 4.908 8.691 ( 4.857 2.215 1.933) 5.677 8.728 ( 4.537 -0.958 0.101) 4.638 8.792 ( -3.946 1.210 1.104) 4.272 8.831 ( -4.523 -2.191 -0.874) 5.101 9.954 ( 1.371 7.362 0.835) 7.535 9.981 ( -1.075 7.275 -0.369) 7.364 10.079 ( 0.540 -3.327 0.439) 3.399 10.107 ( -1.970 -3.462 -0.821) 4.067 12.380 ( 5.494 1.794 0.202) 5.783 12.421 ( 4.114 -1.545 -1.781) 4.741 12.484 ( -3.102 -0.427 0.171) 3.136 12.509 ( -2.920 -2.167 -1.025) 3.778 14.619 ( 4.573 4.632 1.135) 6.607 14.678 ( 0.573 2.689 -1.484) 3.125 14.781 ( -0.239 -6.469 0.818) 6.525 14.834 ( -3.685 -7.813 -1.529) 8.773 20.396 ( 7.556 22.825 0.624) 24.051 20.514 ( -1.757 20.620 -5.538) 21.423 20.829 ( -1.718 -8.923 1.682) 9.241 20.933 ( -9.578 -9.717 -3.753) 14.151 22.462 ( 4.674 20.390 2.104) 21.025 22.533 ( -1.849 21.017 0.025) 21.098 22.921 ( 2.987 -19.077 -0.735) 19.324 23.012 ( -5.517 -20.593 -3.759) 21.648 25.280 ( 5.617 0.317 3.548) 6.651 25.314 ( 5.060 -2.846 1.830) 6.087 25.409 ( -7.112 0.145 4.998) 8.694 25.433 ( -6.739 -2.091 3.882) 8.054 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.000 0.000 -8.238) 8.238 0.801 ( 0.000 0.000 8.238) 8.238 1.190 ( 0.000 0.000 -16.136) 16.136 1.190 ( 0.000 0.000 16.136) 16.136 1.709 ( 0.000 0.000 -3.191) 3.191 1.709 ( 0.000 0.000 3.191) 3.191 1.747 ( 0.000 0.000 -7.365) 7.365 1.747 ( 0.000 0.000 7.365) 7.365 2.124 ( 0.000 0.000 -1.189) 1.189 2.124 ( 0.000 0.000 1.189) 1.189 2.441 ( 0.000 0.000 -12.484) 12.484 2.441 ( 0.000 0.000 12.484) 12.484 2.633 ( 0.000 0.000 -2.845) 2.845 2.633 ( 0.000 0.000 2.845) 2.845 2.857 ( 0.000 0.000 -0.660) 0.660 2.857 ( 0.000 0.000 0.660) 0.660 2.923 ( 0.000 0.000 -17.236) 17.236 2.923 ( 0.000 0.000 17.236) 17.236 3.105 ( 0.000 0.000 -6.245) 6.245 3.105 ( 0.000 0.000 6.245) 6.245 3.382 ( 0.000 0.000 -0.445) 0.445 3.382 ( 0.000 0.000 0.445) 0.445 3.978 ( 0.000 0.000 -13.582) 13.582 3.978 ( 0.000 0.000 13.582) 13.582 4.076 ( 0.000 0.000 -9.311) 9.311 4.076 ( 0.000 0.000 9.311) 9.311 4.267 ( 0.000 0.000 -9.875) 9.875 4.267 ( 0.000 0.000 9.875) 9.875 4.777 ( 0.000 0.000 -5.307) 5.307 4.777 ( 0.000 0.000 5.307) 5.307 5.573 ( 0.000 0.000 -10.005) 10.005 5.573 ( 0.000 0.000 10.005) 10.005 5.710 ( 0.000 0.000 -2.035) 2.035 5.710 ( 0.000 0.000 2.035) 2.035 6.151 ( 0.000 0.000 -3.153) 3.153 6.151 ( 0.000 0.000 3.153) 3.153 6.553 ( 0.000 0.000 -1.672) 1.672 6.553 ( 0.000 0.000 1.672) 1.672 6.911 ( 0.000 0.000 -1.769) 1.769 6.911 ( 0.000 0.000 1.769) 1.769 7.254 ( 0.000 0.000 -5.183) 5.183 7.254 ( 0.000 0.000 5.183) 5.183 7.625 ( 0.000 0.000 -16.132) 16.132 7.625 ( 0.000 0.000 16.132) 16.132 8.415 ( 0.000 0.000 -4.356) 4.356 8.415 ( 0.000 0.000 4.356) 4.356 8.967 ( 0.000 0.000 -3.640) 3.640 8.967 ( 0.000 0.000 3.640) 3.640 9.549 ( 0.000 0.000 -0.946) 0.946 9.549 ( 0.000 0.000 0.946) 0.946 10.029 ( 0.000 0.000 -1.416) 1.416 10.029 ( 0.000 0.000 1.416) 1.416 12.179 ( 0.000 0.000 -3.695) 3.695 12.179 ( 0.000 0.000 3.695) 3.695 12.575 ( 0.000 0.000 -0.480) 0.480 12.575 ( 0.000 0.000 0.480) 0.480 14.482 ( 0.000 0.000 -6.377) 6.377 14.482 ( 0.000 0.000 6.377) 6.377 15.238 ( 0.000 0.000 -5.751) 5.751 15.238 ( 0.000 0.000 5.751) 5.751 19.150 ( 0.000 0.000 -0.127) 0.127 19.150 ( 0.000 0.000 0.127) 0.127 20.499 ( 0.000 0.000 -1.246) 1.246 20.499 ( 0.000 0.000 1.246) 1.246 22.504 ( 0.000 0.000 -8.784) 8.784 22.504 ( 0.000 0.000 8.784) 8.784 23.616 ( 0.000 0.000 -15.963) 15.963 23.616 ( 0.000 0.000 15.963) 15.963 25.325 ( 0.000 0.000 -5.096) 5.096 25.325 ( 0.000 0.000 5.096) 5.096 26.060 ( 0.000 0.000 -13.583) 13.583 26.060 ( 0.000 0.000 13.583) 13.583 ======================= Grid point 149 (50/64) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.296 0.000 -7.463) 7.469 0.804 ( 0.296 0.000 7.463) 7.469 1.212 ( 2.636 0.000 -15.662) 15.882 1.212 ( 2.636 0.000 15.662) 15.882 1.716 ( 0.721 0.000 -3.462) 3.536 1.716 ( 0.721 0.000 3.462) 3.536 1.856 ( 9.394 0.000 -4.275) 10.321 1.856 ( 9.394 0.000 4.275) 10.321 2.080 ( -3.888 0.000 -1.974) 4.360 2.080 ( -3.888 0.000 1.974) 4.360 2.384 ( -5.173 0.000 -9.203) 10.557 2.384 ( -5.173 0.000 9.203) 10.557 2.664 ( 2.448 0.000 -3.921) 4.623 2.664 ( 2.448 0.000 3.921) 4.623 2.868 ( 0.137 0.000 -1.542) 1.548 2.868 ( 0.137 0.000 1.542) 1.548 2.997 ( 7.677 0.000 -19.242) 20.717 2.997 ( 7.677 0.000 19.242) 20.717 3.096 ( -0.316 0.000 -7.012) 7.020 3.096 ( -0.316 0.000 7.012) 7.020 3.382 ( -0.511 0.000 -5.640) 5.663 3.382 ( -0.511 0.000 5.640) 5.663 3.950 ( -2.910 0.000 -14.441) 14.731 3.950 ( -2.910 0.000 14.441) 14.731 4.054 ( -0.097 0.000 -9.967) 9.968 4.054 ( -0.097 0.000 9.967) 9.968 4.354 ( 6.265 0.000 -8.632) 10.666 4.354 ( 6.265 0.000 8.632) 10.666 4.769 ( -0.779 0.000 -4.735) 4.798 4.769 ( -0.779 0.000 4.735) 4.798 5.571 ( 0.066 0.000 -8.537) 8.537 5.571 ( 0.066 0.000 8.537) 8.537 5.702 ( -0.720 0.000 -1.910) 2.041 5.702 ( -0.720 0.000 1.910) 2.041 6.180 ( 2.645 0.000 -3.209) 4.158 6.180 ( 2.645 0.000 3.209) 4.158 6.529 ( -2.111 0.000 -2.687) 3.417 6.529 ( -2.111 0.000 2.687) 3.417 6.914 ( -0.106 0.000 -5.725) 5.726 6.914 ( -0.106 0.000 5.725) 5.726 7.238 ( -1.863 0.000 -4.797) 5.146 7.238 ( -1.863 0.000 4.797) 5.146 7.549 ( -6.388 0.000 -10.776) 12.527 7.549 ( -6.388 0.000 10.776) 12.527 8.445 ( 2.929 0.000 -4.497) 5.367 8.445 ( 2.929 0.000 4.497) 5.367 8.940 ( -2.654 0.000 -4.088) 4.874 8.940 ( -2.654 0.000 4.088) 4.874 9.554 ( 0.445 0.000 -1.206) 1.285 9.554 ( 0.445 0.000 1.206) 1.285 10.029 ( 0.026 0.000 -1.315) 1.315 10.029 ( 0.026 0.000 1.315) 1.315 12.233 ( 4.770 0.000 -5.885) 7.575 12.233 ( 4.770 0.000 5.885) 7.575 12.578 ( 0.225 0.000 -0.667) 0.704 12.578 ( 0.225 0.000 0.667) 0.704 14.502 ( 1.749 0.000 -7.031) 7.245 14.502 ( 1.749 0.000 7.031) 7.245 15.243 ( 0.568 0.000 -5.992) 6.019 15.243 ( 0.568 0.000 5.992) 6.019 19.152 ( 0.232 0.000 -0.119) 0.261 19.152 ( 0.232 0.000 0.119) 0.261 20.497 ( -0.143 0.000 -1.123) 1.132 20.497 ( -0.143 0.000 1.123) 1.132 22.447 ( -5.250 0.000 -6.672) 8.490 22.447 ( -5.250 0.000 6.672) 8.490 23.592 ( -2.052 0.000 -14.858) 14.999 23.592 ( -2.052 0.000 14.858) 14.999 25.339 ( 1.417 0.000 -4.760) 4.967 25.339 ( 1.417 0.000 4.760) 4.967 25.954 ( -9.363 0.000 -9.562) 13.383 25.954 ( -9.363 0.000 9.562) 13.383 ======================= Grid point 151 (51/64) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.431 0.000 -5.215) 5.233 0.812 ( 0.431 0.000 5.215) 5.233 1.299 ( 5.736 0.000 -12.438) 13.697 1.299 ( 5.736 0.000 12.438) 13.697 1.739 ( 1.489 0.000 -3.557) 3.856 1.739 ( 1.489 0.000 3.557) 3.856 1.993 ( -4.420 0.000 -2.202) 4.938 1.993 ( -4.420 0.000 2.202) 4.938 2.021 ( 3.244 0.000 -9.877) 10.396 2.021 ( 3.244 0.000 9.877) 10.396 2.295 ( -0.383 0.000 -7.017) 7.028 2.295 ( -0.383 0.000 7.017) 7.028 2.708 ( 1.459 0.000 -7.391) 7.534 2.708 ( 1.459 0.000 7.391) 7.534 2.863 ( -0.415 0.000 -0.467) 0.625 2.863 ( -0.415 0.000 0.467) 0.625 3.105 ( 1.278 0.000 -5.377) 5.526 3.105 ( 1.278 0.000 5.377) 5.526 3.199 ( 11.653 0.000 -18.461) 21.831 3.199 ( 11.653 0.000 18.461) 21.831 3.343 ( -3.465 0.000 -7.410) 8.180 3.343 ( -3.465 0.000 7.410) 8.180 3.859 ( -6.272 0.000 -16.119) 17.296 3.859 ( -6.272 0.000 16.119) 17.296 4.114 ( 6.108 0.000 -7.571) 9.727 4.114 ( 6.108 0.000 7.571) 9.727 4.452 ( 2.566 0.000 -4.731) 5.382 4.452 ( 2.566 0.000 4.731) 5.382 4.751 ( -0.869 0.000 -3.244) 3.359 4.751 ( -0.869 0.000 3.244) 3.359 5.583 ( 1.172 0.000 -5.793) 5.910 5.583 ( 1.172 0.000 5.793) 5.910 5.685 ( -0.871 0.000 -1.441) 1.684 5.685 ( -0.871 0.000 1.441) 1.684 6.249 ( 3.992 0.000 -4.481) 6.001 6.249 ( 3.992 0.000 4.481) 6.001 6.489 ( -1.093 0.000 -2.243) 2.495 6.489 ( -1.093 0.000 2.243) 2.495 6.881 ( -4.127 0.000 -10.995) 11.744 6.881 ( -4.127 0.000 10.995) 11.744 7.166 ( -4.883 0.000 -3.472) 5.992 7.166 ( -4.883 0.000 3.472) 5.992 7.442 ( -3.101 0.000 -0.635) 3.166 7.442 ( -3.101 0.000 0.635) 3.166 8.527 ( 5.045 0.000 -4.801) 6.965 8.527 ( 5.045 0.000 4.801) 6.965 8.865 ( -4.646 0.000 -4.758) 6.650 8.865 ( -4.646 0.000 4.758) 6.650 9.564 ( 0.460 0.000 -1.143) 1.232 9.564 ( 0.460 0.000 1.143) 1.232 10.030 ( 0.057 0.000 -0.966) 0.968 10.030 ( 0.057 0.000 0.966) 0.968 12.336 ( 4.902 0.000 -6.365) 8.034 12.336 ( 4.902 0.000 6.365) 8.034 12.580 ( -0.103 0.000 -1.269) 1.273 12.580 ( -0.103 0.000 1.269) 1.273 14.536 ( 1.364 0.000 -6.303) 6.449 14.536 ( 1.364 0.000 6.303) 6.449 15.260 ( 1.092 0.000 -4.978) 5.097 15.260 ( 1.092 0.000 4.978) 5.097 19.158 ( 0.290 0.000 -0.089) 0.303 19.158 ( 0.290 0.000 0.089) 0.303 20.494 ( -0.178 0.000 -0.777) 0.797 20.494 ( -0.178 0.000 0.777) 0.797 22.324 ( -6.197 0.000 -2.655) 6.742 22.324 ( -6.197 0.000 2.655) 6.742 23.550 ( -1.844 0.000 -10.467) 10.628 23.550 ( -1.844 0.000 10.467) 10.628 25.380 ( 2.712 0.000 -4.055) 4.879 25.380 ( 2.712 0.000 4.055) 4.879 25.746 ( -10.334 0.000 -4.194) 11.153 25.746 ( -10.334 0.000 4.194) 11.153 ======================= Grid point 153 (52/64) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.213 0.000 -1.871) 1.883 0.819 ( 0.213 0.000 1.871) 1.883 1.409 ( 3.949 0.000 -5.522) 6.789 1.409 ( 3.949 0.000 5.522) 6.789 1.770 ( 1.325 0.000 -2.057) 2.447 1.770 ( 1.325 0.000 2.057) 2.447 1.920 ( -2.413 0.000 -1.426) 2.803 1.920 ( -2.413 0.000 1.426) 2.803 1.969 ( -3.957 0.000 -6.277) 7.420 1.969 ( -3.957 0.000 6.277) 7.420 2.384 ( 4.911 0.000 -3.845) 6.237 2.384 ( 4.911 0.000 3.845) 6.237 2.710 ( -0.854 0.000 -5.847) 5.909 2.710 ( -0.854 0.000 5.847) 5.909 2.856 ( -0.210 0.000 -0.082) 0.225 2.856 ( -0.210 0.000 0.082) 0.225 3.153 ( 3.441 0.000 -1.187) 3.640 3.153 ( 3.441 0.000 1.187) 3.640 3.255 ( -4.700 0.000 -5.199) 7.009 3.255 ( -4.700 0.000 5.199) 7.009 3.428 ( 10.091 0.000 -15.370) 18.387 3.428 ( 10.091 0.000 15.370) 18.387 3.708 ( -7.936 0.000 -14.733) 16.734 3.708 ( -7.936 0.000 14.733) 16.734 4.263 ( 7.154 0.000 -3.421) 7.930 4.263 ( 7.154 0.000 3.421) 7.930 4.440 ( -3.193 0.000 -1.080) 3.371 4.440 ( -3.193 0.000 1.080) 3.371 4.738 ( -0.348 0.000 -1.166) 1.217 4.738 ( -0.348 0.000 1.166) 1.217 5.609 ( 0.958 0.000 -2.300) 2.492 5.609 ( 0.958 0.000 2.300) 2.492 5.672 ( -0.378 0.000 -0.549) 0.666 5.672 ( -0.378 0.000 0.549) 0.666 6.306 ( 0.982 0.000 -1.936) 2.171 6.306 ( 0.982 0.000 1.936) 2.171 6.536 ( 6.512 0.000 -5.034) 8.231 6.536 ( 6.512 0.000 5.034) 8.231 6.732 ( -9.701 0.000 -11.249) 14.854 6.732 ( -9.701 0.000 11.249) 14.854 7.097 ( -1.535 0.000 -0.918) 1.788 7.097 ( -1.535 0.000 0.918) 1.788 7.416 ( -0.230 0.000 -1.079) 1.103 7.416 ( -0.230 0.000 1.079) 1.103 8.638 ( 5.869 0.000 -4.962) 7.686 8.638 ( 5.869 0.000 4.962) 7.686 8.760 ( -5.675 0.000 -4.991) 7.558 8.760 ( -5.675 0.000 4.991) 7.558 9.571 ( 0.175 0.000 -0.461) 0.493 9.571 ( 0.175 0.000 0.461) 0.493 10.031 ( 0.034 0.000 -0.359) 0.361 10.031 ( 0.034 0.000 0.359) 0.361 12.410 ( 2.127 0.000 -2.915) 3.608 12.410 ( 2.127 0.000 2.915) 3.608 12.574 ( -0.351 0.000 -0.987) 1.048 12.574 ( -0.351 0.000 0.987) 1.048 14.553 ( 0.349 0.000 -2.504) 2.528 14.553 ( 0.349 0.000 2.504) 2.528 15.279 ( 0.597 0.000 -1.901) 1.993 15.279 ( 0.597 0.000 1.901) 1.993 19.162 ( 0.129 0.000 -0.034) 0.133 19.162 ( 0.129 0.000 0.034) 0.133 20.491 ( -0.079 0.000 -0.277) 0.288 20.491 ( -0.079 0.000 0.277) 0.288 22.231 ( -2.586 0.000 -0.479) 2.630 22.231 ( -2.586 0.000 0.479) 2.630 23.525 ( -0.648 0.000 -3.677) 3.734 23.525 ( -0.648 0.000 3.677) 3.734 25.451 ( 4.469 0.000 -3.274) 5.540 25.451 ( 4.469 0.000 3.274) 5.540 25.568 ( -7.286 0.000 -2.706) 7.772 25.568 ( -7.286 0.000 2.706) 7.772 ======================= Grid point 161 (53/64) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 -2.409 -13.771) 13.980 1.158 ( 0.000 -2.409 13.771) 13.980 1.355 ( 0.000 33.283 -2.916) 33.410 1.355 ( 0.000 33.283 2.916) 33.410 1.642 ( 0.000 3.154 -6.276) 7.024 1.642 ( 0.000 3.154 6.276) 7.024 1.893 ( 0.000 8.529 -3.249) 9.127 1.893 ( 0.000 8.529 3.249) 9.127 2.186 ( 0.000 6.783 -0.990) 6.855 2.186 ( 0.000 6.783 0.990) 6.855 2.425 ( 0.000 -0.651 -11.870) 11.888 2.425 ( 0.000 -0.651 11.870) 11.888 2.625 ( 0.000 -0.697 -2.787) 2.873 2.625 ( 0.000 -0.697 2.787) 2.873 2.899 ( 0.000 1.339 -11.493) 11.571 2.899 ( 0.000 1.339 11.493) 11.571 3.024 ( 0.000 5.915 -3.073) 6.666 3.024 ( 0.000 5.915 3.073) 6.666 3.097 ( 0.000 1.088 -3.972) 4.119 3.097 ( 0.000 1.088 3.972) 4.119 3.394 ( 0.000 3.671 -2.380) 4.375 3.394 ( 0.000 3.671 2.380) 4.375 3.882 ( 0.000 -6.826 -1.192) 6.929 3.882 ( 0.000 -6.826 1.192) 6.929 4.093 ( 0.000 0.938 -6.877) 6.940 4.093 ( 0.000 0.938 6.877) 6.940 4.275 ( 0.000 1.198 -7.072) 7.173 4.275 ( 0.000 1.198 7.072) 7.173 4.825 ( 0.000 2.745 -0.997) 2.921 4.825 ( 0.000 2.745 0.997) 2.921 5.545 ( 0.000 -13.672 -1.867) 13.799 5.545 ( 0.000 -13.672 1.867) 13.799 5.640 ( 0.000 6.014 -8.193) 10.163 5.640 ( 0.000 6.014 8.193) 10.163 6.220 ( 0.000 4.577 -3.219) 5.596 6.220 ( 0.000 4.577 3.219) 5.596 6.529 ( 0.000 -2.341 -1.297) 2.676 6.529 ( 0.000 -2.341 1.297) 2.676 6.875 ( 0.000 -4.105 -1.221) 4.283 6.875 ( 0.000 -4.105 1.221) 4.283 7.233 ( 0.000 -1.896 -4.924) 5.276 7.233 ( 0.000 -1.896 4.924) 5.276 7.382 ( 0.000 -16.562 -6.513) 17.796 7.382 ( 0.000 -16.562 6.513) 17.796 8.498 ( 0.000 4.496 -5.546) 7.140 8.498 ( 0.000 4.496 5.546) 7.140 8.968 ( 0.000 -0.111 -4.207) 4.209 8.968 ( 0.000 -0.111 4.207) 4.209 9.661 ( 0.000 9.133 -3.687) 9.849 9.661 ( 0.000 9.133 3.687) 9.849 10.057 ( 0.000 2.482 -1.284) 2.794 10.057 ( 0.000 2.482 1.284) 2.794 12.164 ( 0.000 -1.308 -3.756) 3.977 12.164 ( 0.000 -1.308 3.756) 3.977 12.577 ( 0.000 0.131 -0.492) 0.509 12.577 ( 0.000 0.131 0.492) 0.509 14.480 ( 0.000 -0.191 -6.095) 6.098 14.480 ( 0.000 -0.191 6.095) 6.098 15.164 ( 0.000 -6.341 -4.734) 7.913 15.164 ( 0.000 -6.341 4.734) 7.913 19.381 ( 0.000 20.479 -5.074) 21.098 19.381 ( 0.000 20.479 5.074) 21.098 20.654 ( 0.000 14.211 -1.162) 14.259 20.654 ( 0.000 14.211 1.162) 14.259 22.458 ( 0.000 -4.351 -8.566) 9.608 22.458 ( 0.000 -4.351 8.566) 9.608 23.534 ( 0.000 -7.528 -15.997) 17.680 23.534 ( 0.000 -7.528 15.997) 17.680 25.296 ( 0.000 -2.709 -4.815) 5.525 25.296 ( 0.000 -2.709 4.815) 5.525 26.002 ( 0.000 -4.809 -10.446) 11.499 26.002 ( 0.000 -4.809 10.446) 11.499 ======================= Grid point 163 (54/64) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.946 -0.752 -13.293) 13.456 1.173 ( 1.946 -0.752 13.293) 13.456 1.364 ( 0.877 33.076 -2.297) 33.167 1.364 ( 0.877 33.076 2.297) 33.167 1.724 ( 6.329 3.724 -4.919) 8.839 1.724 ( 6.329 3.724 4.919) 8.839 1.907 ( 1.683 5.454 -2.283) 6.147 1.907 ( 1.683 5.454 2.283) 6.147 2.162 ( -1.690 7.856 -1.609) 8.196 2.162 ( -1.690 7.856 1.609) 8.196 2.373 ( -4.807 -0.223 -9.025) 10.228 2.373 ( -4.807 -0.223 9.025) 10.228 2.650 ( 1.998 -1.070 -3.552) 4.214 2.650 ( 1.998 -1.070 3.552) 4.214 2.956 ( 4.623 2.153 -6.957) 8.627 2.956 ( 4.623 2.153 6.957) 8.627 3.061 ( 3.045 7.251 -6.568) 10.247 3.061 ( 3.045 7.251 6.568) 10.247 3.082 ( 0.196 -0.333 -7.468) 7.478 3.082 ( 0.196 -0.333 7.468) 7.478 3.381 ( -1.559 2.223 -4.690) 5.419 3.381 ( -1.559 2.223 4.690) 5.419 3.886 ( 0.019 -4.912 -3.794) 6.207 3.886 ( 0.019 -4.912 3.794) 6.207 4.071 ( -0.922 1.201 -5.459) 5.665 4.071 ( -0.922 1.201 5.459) 5.665 4.320 ( 3.214 -1.425 -4.442) 5.666 4.320 ( 3.214 -1.425 4.442) 5.666 4.833 ( 0.711 3.795 -1.185) 4.039 4.833 ( 0.711 3.795 1.185) 4.039 5.530 ( -1.162 -13.344 -1.679) 13.499 5.530 ( -1.162 -13.344 1.679) 13.499 5.649 ( 0.888 5.907 -6.621) 8.917 5.649 ( 0.888 5.907 6.621) 8.917 6.241 ( 1.921 4.059 -3.217) 5.524 6.241 ( 1.921 4.059 3.217) 5.524 6.508 ( -1.856 -2.071 -2.531) 3.761 6.508 ( -1.856 -2.071 2.531) 3.761 6.877 ( -0.172 -4.170 -6.243) 7.509 6.877 ( -0.172 -4.170 6.243) 7.509 7.211 ( -2.589 -2.796 -3.704) 5.314 7.211 ( -2.589 -2.796 3.704) 5.314 7.347 ( -2.643 -13.636 -2.576) 14.127 7.347 ( -2.643 -13.636 2.576) 14.127 8.517 ( 1.959 4.184 -5.167) 6.931 8.517 ( 1.959 4.184 5.167) 6.931 8.944 ( -2.360 0.159 -4.241) 4.856 8.944 ( -2.360 0.159 4.241) 4.856 9.654 ( -0.533 8.411 -2.886) 8.909 9.654 ( -0.533 8.411 2.886) 8.909 10.058 ( 0.127 2.544 -1.125) 2.785 10.058 ( 0.127 2.544 1.125) 2.785 12.218 ( 4.804 -1.355 -5.300) 7.280 12.218 ( 4.804 -1.355 5.300) 7.280 12.577 ( 0.005 -0.076 -0.631) 0.636 12.577 ( 0.005 -0.076 0.631) 0.636 14.501 ( 1.866 -0.108 -6.590) 6.850 14.501 ( 1.866 -0.108 6.590) 6.850 15.165 ( 0.181 -6.725 -5.005) 8.385 15.165 ( 0.181 -6.725 5.005) 8.385 19.380 ( -0.102 20.314 -4.496) 20.806 19.380 ( -0.102 20.314 4.496) 20.806 20.651 ( -0.313 13.904 -1.151) 13.955 20.651 ( -0.313 13.904 1.151) 13.955 22.407 ( -4.690 -3.658 -6.719) 8.974 22.407 ( -4.690 -3.658 6.719) 8.974 23.516 ( -1.631 -7.155 -14.787) 16.508 23.516 ( -1.631 -7.155 14.787) 16.508 25.310 ( 1.416 -2.722 -4.522) 5.465 25.310 ( 1.416 -2.722 4.522) 5.465 25.910 ( -8.314 -3.750 -7.535) 11.830 25.910 ( -8.314 -3.750 7.535) 11.830 ======================= Grid point 165 (55/64) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.550 4.339 -9.452) 11.352 1.241 ( 4.550 4.339 9.452) 11.352 1.384 ( 0.933 28.702 -0.219) 28.718 1.384 ( 0.933 28.702 0.219) 28.718 1.817 ( 2.649 8.210 -4.983) 9.962 1.817 ( 2.649 8.210 4.983) 9.962 1.942 ( 0.306 0.298 -5.205) 5.222 1.942 ( 0.306 0.298 5.205) 5.222 2.146 ( -1.812 8.191 -5.889) 10.250 2.146 ( -1.812 8.191 5.889) 10.250 2.284 ( -0.303 -0.051 -6.863) 6.870 2.284 ( -0.303 -0.051 6.863) 6.870 2.690 ( 1.624 -1.387 -6.759) 7.089 2.690 ( 1.624 -1.387 6.759) 7.089 2.998 ( -0.583 8.379 -2.188) 8.680 2.998 ( -0.583 8.379 2.188) 8.680 3.086 ( 2.367 -1.227 -5.372) 5.997 3.086 ( 2.367 -1.227 5.372) 5.997 3.225 ( 10.493 3.349 -16.731) 20.032 3.225 ( 10.493 3.349 16.731) 20.032 3.325 ( -3.880 -0.047 -6.183) 7.300 3.325 ( -3.880 -0.047 6.183) 7.300 3.845 ( -4.793 -1.251 -11.245) 12.288 3.845 ( -4.793 -1.251 11.245) 12.288 4.109 ( 5.111 -0.871 -2.907) 5.944 4.109 ( 5.111 -0.871 2.907) 5.944 4.367 ( 1.054 -4.143 -2.960) 5.200 4.367 ( 1.054 -4.143 2.960) 5.200 4.844 ( 0.005 5.328 -2.446) 5.863 4.844 ( 0.005 5.328 2.446) 5.863 5.511 ( -0.601 -14.002 -1.548) 14.100 5.511 ( -0.601 -14.002 1.548) 14.100 5.675 ( 1.637 7.192 -4.431) 8.605 5.675 ( 1.637 7.192 4.431) 8.605 6.289 ( 2.626 2.506 -4.021) 5.417 6.289 ( 2.626 2.506 4.021) 5.417 6.474 ( -0.798 -1.547 -2.035) 2.678 6.474 ( -0.798 -1.547 2.035) 2.678 6.840 ( -4.428 -4.386 -11.604) 13.172 6.840 ( -4.428 -4.386 11.604) 13.172 7.133 ( -3.979 -2.911 -1.910) 5.288 7.133 ( -3.979 -2.911 1.910) 5.288 7.315 ( -0.513 -8.999 -3.269) 9.588 7.315 ( -0.513 -8.999 3.269) 9.588 8.577 ( 3.972 3.287 -4.685) 6.967 8.577 ( 3.972 3.287 4.685) 6.967 8.878 ( -4.133 0.864 -4.401) 6.099 8.878 ( -4.133 0.864 4.401) 6.099 9.644 ( -0.388 7.106 -1.604) 7.295 9.644 ( -0.388 7.106 1.604) 7.295 10.061 ( 0.104 2.589 -0.752) 2.698 10.061 ( 0.104 2.589 0.752) 2.698 12.324 ( 5.202 -1.075 -5.753) 7.831 12.324 ( 5.202 -1.075 5.753) 7.831 12.574 ( -0.422 -0.593 -1.126) 1.341 12.574 ( -0.422 -0.593 1.126) 1.341 14.540 ( 1.696 0.361 -5.956) 6.204 14.540 ( 1.696 0.361 5.956) 6.204 15.173 ( 0.599 -7.674 -4.301) 8.817 15.173 ( 0.599 -7.674 4.301) 8.817 19.377 ( -0.134 19.919 -2.987) 20.142 19.377 ( -0.134 19.919 2.987) 20.142 20.644 ( -0.375 13.232 -0.944) 13.271 20.644 ( -0.375 13.232 0.944) 13.271 22.297 ( -5.556 -2.166 -3.049) 6.697 22.297 ( -5.556 -2.166 3.049) 6.697 23.482 ( -1.518 -6.567 -10.390) 12.385 23.482 ( -1.518 -6.567 10.390) 12.385 25.352 ( 2.849 -2.599 -3.870) 5.463 25.352 ( 2.849 -2.599 3.870) 5.463 25.719 ( -9.721 -2.266 -3.528) 10.587 25.719 ( -9.721 -2.266 3.528) 10.587 ======================= Grid point 167 (56/64) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 3.266 21.158 -3.617) 21.712 1.328 ( 3.266 21.158 3.617) 21.712 1.394 ( -0.072 10.198 -2.679) 10.545 1.394 ( -0.072 10.198 2.679) 10.545 1.845 ( 0.231 10.252 -1.625) 10.382 1.845 ( 0.231 10.252 1.625) 10.382 1.941 ( 1.212 1.872 -1.667) 2.785 1.941 ( 1.212 1.872 1.667) 2.785 2.045 ( -5.366 6.087 -3.990) 9.042 2.045 ( -5.366 6.087 3.990) 9.042 2.376 ( 4.852 0.356 -3.489) 5.987 2.376 ( 4.852 0.356 3.489) 5.987 2.699 ( -0.600 -0.855 -5.517) 5.615 2.699 ( -0.600 -0.855 5.517) 5.615 2.985 ( -0.298 7.922 -1.054) 7.997 2.985 ( -0.298 7.922 1.054) 7.997 3.144 ( 3.499 0.262 -0.877) 3.617 3.144 ( 3.499 0.262 0.877) 3.617 3.229 ( -4.824 -0.182 -3.854) 6.177 3.229 ( -4.824 -0.182 3.854) 6.177 3.450 ( 10.255 2.012 -13.982) 17.456 3.450 ( 10.255 2.012 13.982) 17.456 3.707 ( -8.015 -0.102 -13.000) 15.273 3.707 ( -8.015 -0.102 13.000) 15.273 4.236 ( 5.983 -5.483 -2.233) 8.417 4.236 ( 5.983 -5.483 2.233) 8.417 4.356 ( -2.012 -1.229 -2.792) 3.655 4.356 ( -2.012 -1.229 2.792) 3.655 4.830 ( -0.951 5.059 -1.212) 5.288 4.830 ( -0.951 5.059 1.212) 5.288 5.507 ( 0.048 -14.588 -0.678) 14.604 5.507 ( 0.048 -14.588 0.678) 14.604 5.706 ( 1.045 8.712 -1.868) 8.971 5.706 ( 1.045 8.712 1.868) 8.971 6.319 ( 0.168 0.601 -1.328) 1.467 6.319 ( 0.168 0.601 1.328) 1.467 6.524 ( 6.287 -1.420 -5.512) 8.480 6.524 ( 6.287 -1.420 5.512) 8.480 6.695 ( -9.047 -3.517 -11.004) 14.673 6.695 ( -9.047 -3.517 11.004) 14.673 7.087 ( -0.837 -0.779 -0.788) 1.388 7.087 ( -0.837 -0.779 0.788) 1.388 7.314 ( 0.139 -8.166 -1.784) 8.360 7.314 ( 0.139 -8.166 1.784) 8.360 8.667 ( 4.622 1.966 -4.131) 6.503 8.667 ( 4.622 1.966 4.131) 6.503 8.787 ( -4.611 2.014 -4.110) 6.497 8.787 ( -4.611 2.014 4.110) 6.497 9.639 ( -0.117 6.295 -0.520) 6.318 9.639 ( -0.117 6.295 0.520) 6.318 10.062 ( 0.038 2.564 -0.263) 2.578 10.062 ( 0.038 2.564 0.263) 2.578 12.405 ( 2.403 -0.442 -2.791) 3.709 12.405 ( 2.403 -0.442 2.791) 3.709 12.562 ( -0.597 -1.213 -0.967) 1.662 12.562 ( -0.597 -1.213 0.967) 1.662 14.562 ( 0.533 0.943 -2.418) 2.650 14.562 ( 0.533 0.943 2.418) 2.650 15.184 ( 0.395 -8.458 -1.678) 8.632 15.184 ( 0.395 -8.458 1.678) 8.632 19.375 ( -0.062 19.578 -1.028) 19.605 19.375 ( -0.062 19.578 1.028) 19.605 20.638 ( -0.161 12.712 -0.375) 12.719 20.638 ( -0.161 12.712 0.375) 12.719 22.213 ( -2.334 -1.082 -0.666) 2.658 22.213 ( -2.334 -1.082 0.666) 2.658 23.461 ( -0.548 -6.269 -3.665) 7.282 23.461 ( -0.548 -6.269 3.665) 7.282 25.427 ( 4.708 -2.206 -3.081) 6.043 25.427 ( 4.708 -2.206 3.081) 6.043 25.547 ( -7.308 -1.861 -2.465) 7.934 25.547 ( -7.308 -1.861 2.465) 7.934 ======================= Grid point 175 (57/64) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 -3.176 -7.933) 8.546 1.097 ( 0.000 -3.176 7.933) 8.546 1.521 ( 0.000 -0.039 -0.067) 0.078 1.521 ( 0.000 -0.039 0.067) 0.078 2.006 ( 0.000 8.876 -2.642) 9.261 2.006 ( 0.000 8.876 2.642) 9.261 2.080 ( 0.000 11.284 -0.219) 11.286 2.080 ( 0.000 11.284 0.219) 11.286 2.398 ( 0.000 1.946 -9.802) 9.994 2.398 ( 0.000 1.946 9.802) 9.994 2.546 ( 0.000 20.135 -6.758) 21.239 2.546 ( 0.000 20.135 6.758) 21.239 2.612 ( 0.000 -0.022 -1.289) 1.289 2.612 ( 0.000 -0.022 1.289) 1.289 2.925 ( 0.000 0.441 -9.154) 9.165 2.925 ( 0.000 0.441 9.154) 9.165 3.011 ( 0.000 1.983 -0.383) 2.020 3.011 ( 0.000 1.983 0.383) 2.020 3.138 ( 0.000 0.809 -4.040) 4.120 3.138 ( 0.000 0.809 4.040) 4.120 3.627 ( 0.000 15.008 -4.245) 15.597 3.627 ( 0.000 15.008 4.245) 15.597 3.765 ( 0.000 -3.780 -0.652) 3.835 3.765 ( 0.000 -3.780 0.652) 3.835 4.136 ( 0.000 3.901 -7.999) 8.899 4.136 ( 0.000 3.901 7.999) 8.899 4.318 ( 0.000 3.094 -5.708) 6.493 4.318 ( 0.000 3.094 5.708) 6.493 4.829 ( 0.000 -2.841 -3.432) 4.455 4.829 ( 0.000 -2.841 3.432) 4.455 5.198 ( 0.000 -19.250 -1.327) 19.296 5.198 ( 0.000 -19.250 1.327) 19.296 5.795 ( 0.000 7.729 -5.982) 9.774 5.795 ( 0.000 7.729 5.982) 9.774 6.288 ( 0.000 1.643 -2.418) 2.923 6.288 ( 0.000 1.643 2.418) 2.923 6.460 ( 0.000 -4.194 -0.024) 4.194 6.460 ( 0.000 -4.194 0.024) 4.194 6.733 ( 0.000 -7.973 -0.696) 8.003 6.733 ( 0.000 -7.973 0.696) 8.003 7.149 ( 0.000 -5.383 -1.095) 5.493 7.149 ( 0.000 -5.383 1.095) 5.493 7.185 ( 0.000 -2.623 -4.201) 4.953 7.185 ( 0.000 -2.623 4.201) 4.953 8.549 ( 0.000 0.867 -3.463) 3.570 8.549 ( 0.000 0.867 3.463) 3.570 8.958 ( 0.000 -0.757 -3.456) 3.538 8.958 ( 0.000 -0.757 3.456) 3.538 9.845 ( 0.000 7.616 -4.906) 9.059 9.845 ( 0.000 7.616 4.906) 9.059 10.117 ( 0.000 2.983 -0.965) 3.135 10.117 ( 0.000 2.983 0.965) 3.135 12.133 ( 0.000 -1.474 -3.138) 3.467 12.133 ( 0.000 -1.474 3.138) 3.467 12.580 ( 0.000 0.164 -0.418) 0.449 12.580 ( 0.000 0.164 0.418) 0.449 14.473 ( 0.000 -0.444 -4.747) 4.768 14.473 ( 0.000 -0.444 4.747) 4.768 15.024 ( 0.000 -6.231 -3.143) 6.979 15.024 ( 0.000 -6.231 3.143) 6.979 19.868 ( 0.000 23.902 -10.876) 26.260 19.868 ( 0.000 23.902 10.876) 26.260 21.017 ( 0.000 19.029 -1.388) 19.080 21.017 ( 0.000 19.029 1.388) 19.080 22.340 ( 0.000 -6.533 -7.057) 9.617 22.340 ( 0.000 -6.533 7.057) 9.617 23.335 ( 0.000 -10.905 -13.938) 17.697 23.335 ( 0.000 -10.905 13.938) 17.697 25.225 ( 0.000 -3.776 -3.717) 5.299 25.225 ( 0.000 -3.776 3.717) 5.299 25.901 ( 0.000 -4.343 -5.310) 6.860 25.901 ( 0.000 -4.343 5.310) 6.860 ======================= Grid point 177 (58/64) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 5.190 -0.199 -8.236) 9.737 1.154 ( 5.190 -0.199 8.236) 9.737 1.572 ( 4.640 -1.545 -1.813) 5.215 1.572 ( 4.640 -1.545 1.813) 5.215 1.990 ( -3.203 8.551 -3.637) 9.829 1.990 ( -3.203 8.551 3.637) 9.829 2.095 ( 3.293 9.102 -2.171) 9.919 2.095 ( 3.293 9.102 2.171) 9.919 2.367 ( -3.097 2.371 -6.750) 7.795 2.367 ( -3.097 2.371 6.750) 7.795 2.516 ( -2.787 17.843 -6.388) 19.156 2.516 ( -2.787 17.843 6.388) 19.156 2.639 ( 2.285 2.834 -0.599) 3.689 2.639 ( 2.285 2.834 0.599) 3.689 2.964 ( 4.486 0.923 -5.956) 7.513 2.964 ( 4.486 0.923 5.956) 7.513 3.068 ( 3.585 2.548 -6.487) 7.837 3.068 ( 3.585 2.548 6.487) 7.837 3.141 ( 1.472 0.785 -5.672) 5.912 3.141 ( 1.472 0.785 5.672) 5.912 3.592 ( -3.320 15.061 -4.926) 16.190 3.592 ( -3.320 15.061 4.926) 16.190 3.790 ( 2.061 -3.954 -1.583) 4.731 3.790 ( 2.061 -3.954 1.583) 4.731 4.117 ( -1.615 3.813 -8.141) 9.134 4.117 ( -1.615 3.813 8.141) 9.134 4.323 ( 0.453 1.507 -6.143) 6.341 4.323 ( 0.453 1.507 6.143) 6.341 4.858 ( 2.555 -1.854 -5.629) 6.454 4.858 ( 2.555 -1.854 5.629) 6.454 5.181 ( -1.606 -19.184 -1.233) 19.290 5.181 ( -1.606 -19.184 1.233) 19.290 5.814 ( 1.943 8.516 -5.037) 10.083 5.814 ( 1.943 8.516 5.037) 10.083 6.295 ( 0.602 0.722 -2.354) 2.535 6.295 ( 0.602 0.722 2.354) 2.535 6.447 ( -1.036 -3.490 -1.961) 4.135 6.447 ( -1.036 -3.490 1.961) 4.135 6.735 ( -0.098 -7.920 -4.947) 9.339 6.735 ( -0.098 -7.920 4.947) 9.339 7.118 ( -2.511 -3.897 -1.304) 4.816 7.118 ( -2.511 -3.897 1.304) 4.816 7.185 ( -0.289 -3.605 -4.377) 5.678 7.185 ( -0.289 -3.605 4.377) 5.678 8.568 ( 1.908 1.041 -3.316) 3.965 8.568 ( 1.908 1.041 3.316) 3.965 8.940 ( -1.837 -0.547 -3.372) 3.879 8.940 ( -1.837 -0.547 3.372) 3.879 9.834 ( -0.975 7.944 -3.982) 8.940 9.834 ( -0.975 7.944 3.982) 8.940 10.116 ( -0.131 2.580 -1.565) 3.020 10.116 ( -0.131 2.580 1.565) 3.020 12.185 ( 4.748 -1.616 -3.758) 6.267 12.185 ( 4.748 -1.616 3.758) 6.267 12.575 ( -0.476 -0.080 -0.517) 0.707 12.575 ( -0.476 -0.080 0.517) 0.707 14.497 ( 2.229 -0.271 -5.066) 5.541 14.497 ( 2.229 -0.271 5.066) 5.541 15.016 ( -0.813 -6.746 -3.525) 7.654 15.016 ( -0.813 -6.746 3.525) 7.654 19.872 ( 0.342 24.639 -10.004) 26.595 19.872 ( 0.342 24.639 10.004) 26.595 20.992 ( -2.345 16.822 -2.809) 17.215 20.992 ( -2.345 16.822 2.809) 17.215 22.321 ( -1.742 -3.763 -6.388) 7.616 22.321 ( -1.742 -3.763 6.388) 7.616 23.319 ( -1.444 -11.221 -13.070) 17.287 23.319 ( -1.444 -11.221 13.070) 17.287 25.239 ( 1.465 -3.751 -3.523) 5.350 25.239 ( 1.465 -3.751 3.523) 5.350 25.830 ( -6.607 -3.511 -4.036) 8.501 25.830 ( -6.607 -3.511 4.036) 8.501 ======================= Grid point 179 (59/64) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 7.169 3.879 -6.974) 10.728 1.282 ( 7.169 3.879 6.974) 10.728 1.673 ( 4.088 0.051 -2.538) 4.812 1.673 ( 4.088 0.051 2.538) 4.812 1.904 ( -3.680 2.856 -3.785) 6.002 1.904 ( -3.680 2.856 3.785) 6.002 2.182 ( 1.403 8.691 -3.681) 9.543 2.182 ( 1.403 8.691 3.681) 9.543 2.282 ( -2.039 1.434 -3.698) 4.459 2.282 ( -2.039 1.434 3.698) 4.459 2.474 ( -1.116 16.873 -4.057) 17.390 2.474 ( -1.116 16.873 4.057) 17.390 2.689 ( 2.490 5.259 -2.313) 6.261 2.689 ( 2.490 5.259 2.313) 6.261 3.037 ( -0.068 -0.574 -4.602) 4.638 3.037 ( -0.068 -0.574 4.602) 4.638 3.112 ( 3.789 5.570 -7.020) 9.730 3.112 ( 3.789 5.570 7.020) 9.730 3.259 ( 8.739 0.953 -5.166) 10.197 3.259 ( 8.739 0.953 5.166) 10.197 3.513 ( -3.813 14.925 -5.421) 16.330 3.513 ( -3.813 14.925 5.421) 16.330 3.809 ( -1.417 -2.327 -3.764) 4.646 3.809 ( -1.417 -2.327 3.764) 4.646 4.088 ( -0.762 -0.280 -5.527) 5.586 4.088 ( -0.762 -0.280 5.527) 5.586 4.345 ( 2.188 1.216 -5.399) 5.951 4.345 ( 2.188 1.216 5.399) 5.951 4.903 ( 1.017 -0.075 -6.209) 6.292 4.903 ( 1.017 -0.075 6.209) 6.292 5.143 ( -1.786 -20.065 -1.546) 20.203 5.143 ( -1.786 -20.065 1.546) 20.203 5.869 ( 3.365 10.282 -3.794) 11.465 5.869 ( 3.365 10.282 3.794) 11.465 6.310 ( 0.891 -0.918 -3.774) 3.985 6.310 ( 0.891 -0.918 3.774) 3.985 6.430 ( -0.225 -2.275 -1.836) 2.932 6.430 ( -0.225 -2.275 1.836) 2.932 6.707 ( -3.328 -7.172 -8.865) 11.879 6.707 ( -3.328 -7.172 8.865) 11.879 7.074 ( -1.319 -2.182 -1.315) 2.869 7.074 ( -1.319 -2.182 1.315) 2.869 7.172 ( -0.861 -4.709 -4.586) 6.629 7.172 ( -0.861 -4.709 4.586) 6.629 8.624 ( 3.526 1.267 -3.057) 4.836 8.624 ( 3.526 1.267 3.057) 4.836 8.887 ( -3.284 -0.023 -3.206) 4.590 8.887 ( -3.284 -0.023 3.206) 4.590 9.814 ( -0.896 8.460 -2.243) 8.798 9.814 ( -0.896 8.460 2.243) 8.798 10.112 ( -0.230 1.775 -1.521) 2.349 10.112 ( -0.230 1.775 1.521) 2.349 12.297 ( 5.840 -1.420 -4.050) 7.248 12.297 ( 5.840 -1.420 4.050) 7.248 12.559 ( -1.253 -0.770 -0.900) 1.725 12.559 ( -1.253 -0.770 0.900) 1.725 14.551 ( 2.740 0.638 -4.899) 5.649 14.551 ( 2.740 0.638 4.899) 5.649 14.996 ( -1.000 -8.324 -3.606) 9.126 14.996 ( -1.000 -8.324 3.606) 9.126 19.880 ( 0.406 26.402 -7.259) 27.385 19.880 ( 0.406 26.402 7.259) 27.385 20.936 ( -2.864 11.970 -3.414) 12.773 20.936 ( -2.864 11.970 3.414) 12.773 22.279 ( -2.174 2.060 -4.300) 5.240 22.279 ( -2.174 2.060 4.300) 5.240 23.287 ( -1.517 -12.049 -9.572) 15.463 23.287 ( -1.517 -12.049 9.572) 15.463 25.285 ( 3.242 -3.492 -3.028) 5.646 25.285 ( 3.242 -3.492 3.028) 5.646 25.668 ( -8.773 -2.356 -2.183) 9.342 25.668 ( -8.773 -2.356 2.183) 9.342 ======================= Grid point 181 (60/64) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 5.093 5.838 -3.253) 8.402 1.416 ( 5.093 5.838 3.253) 8.402 1.676 ( -2.684 5.136 -0.471) 5.814 1.676 ( -2.684 5.136 0.471) 5.814 1.918 ( 4.754 -2.071 -1.898) 5.523 1.918 ( 4.754 -2.071 1.898) 5.523 2.069 ( -7.462 2.030 -2.296) 8.067 2.069 ( -7.462 2.030 2.296) 8.067 2.366 ( 5.255 9.895 -3.541) 11.750 2.366 ( 5.255 9.895 3.541) 11.750 2.449 ( -1.906 11.231 -3.802) 12.009 2.449 ( -1.906 11.231 3.802) 12.009 2.728 ( 1.172 7.379 -1.999) 7.735 2.728 ( 1.172 7.379 1.999) 7.735 3.011 ( -1.177 -2.566 -1.829) 3.364 3.011 ( -1.177 -2.566 1.829) 3.364 3.183 ( 2.244 9.077 -1.922) 9.546 3.183 ( 2.244 9.077 1.922) 9.546 3.375 ( 0.206 8.081 -1.972) 8.321 3.375 ( 0.206 8.081 1.972) 8.321 3.529 ( 7.906 6.712 -11.204) 15.267 3.529 ( 7.906 6.712 11.204) 15.267 3.710 ( -7.980 1.012 -8.765) 11.897 3.710 ( -7.980 1.012 8.765) 11.897 4.088 ( 0.292 -6.768 -1.265) 6.892 4.088 ( 0.292 -6.768 1.265) 6.892 4.406 ( 2.854 3.586 -1.978) 4.991 4.406 ( 2.854 3.586 1.978) 4.991 4.887 ( -1.723 0.381 -2.589) 3.133 4.887 ( -1.723 0.381 2.589) 3.133 5.124 ( -0.220 -21.285 -0.780) 21.300 5.124 ( -0.220 -21.285 0.780) 21.300 5.930 ( 2.019 11.913 -1.993) 12.246 5.930 ( 2.019 11.913 1.993) 12.246 6.317 ( -0.342 -0.754 -1.649) 1.845 6.317 ( -0.342 -0.754 1.649) 1.845 6.472 ( 4.898 -3.375 -4.962) 7.746 6.472 ( 4.898 -3.375 4.962) 7.746 6.600 ( -6.745 -5.176 -8.830) 12.258 6.600 ( -6.745 -5.176 8.830) 12.258 7.069 ( 0.353 -1.011 -1.254) 1.649 7.069 ( 0.353 -1.011 1.254) 1.649 7.155 ( -0.645 -6.199 -2.592) 6.750 7.155 ( -0.645 -6.199 2.592) 6.750 8.700 ( 3.580 1.245 -2.459) 4.518 8.700 ( 3.580 1.245 2.459) 4.518 8.816 ( -3.425 0.514 -2.546) 4.299 8.816 ( -3.425 0.514 2.546) 4.299 9.802 ( -0.321 8.736 -0.695) 8.770 9.802 ( -0.321 8.736 0.695) 8.770 10.108 ( -0.114 1.188 -0.600) 1.336 10.108 ( -0.114 1.188 0.600) 1.336 12.396 ( 3.392 -0.353 -2.368) 4.151 12.396 ( 3.392 -0.353 2.368) 4.151 12.527 ( -1.567 -1.957 -1.063) 2.723 12.527 ( -1.567 -1.957 1.063) 2.723 14.593 ( 1.198 2.053 -2.233) 3.261 14.593 ( 1.198 2.053 2.233) 3.261 14.981 ( -0.437 -10.175 -1.691) 10.324 14.981 ( -0.437 -10.175 1.691) 10.324 19.886 ( 0.172 27.932 -2.692) 28.062 19.886 ( 0.172 27.932 2.692) 28.062 20.892 ( -1.248 8.168 -1.560) 8.409 20.892 ( -1.248 8.168 1.560) 8.409 22.246 ( -0.956 6.288 -1.459) 6.526 22.246 ( -0.956 6.288 1.459) 6.526 23.266 ( -0.591 -12.763 -3.494) 13.245 23.266 ( -0.591 -12.763 3.494) 13.245 25.371 ( 5.364 -2.857 -2.348) 6.515 25.371 ( 5.364 -2.857 2.348) 6.515 25.502 ( -7.564 -2.241 -1.780) 8.087 25.502 ( -7.564 -2.241 1.780) 8.087 ======================= Grid point 189 (61/64) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 -1.622 -2.258) 2.780 1.043 ( 0.000 -1.622 2.258) 2.780 1.529 ( 0.000 0.473 -0.457) 0.658 1.529 ( 0.000 0.473 0.457) 0.658 2.079 ( 0.000 1.118 -0.211) 1.138 2.079 ( 0.000 1.118 0.211) 1.138 2.281 ( 0.000 6.585 -1.607) 6.778 2.281 ( 0.000 6.585 1.607) 6.778 2.415 ( 0.000 1.472 -5.567) 5.759 2.415 ( 0.000 1.472 5.567) 5.759 2.603 ( 0.000 -0.238 -1.894) 1.909 2.603 ( 0.000 -0.238 1.894) 1.909 2.643 ( 0.000 -5.434 -6.360) 8.365 2.643 ( 0.000 -5.434 6.360) 8.365 2.919 ( 0.000 0.156 -4.061) 4.064 2.919 ( 0.000 0.156 4.061) 4.064 3.092 ( 0.000 0.035 -2.184) 2.184 3.092 ( 0.000 0.035 2.184) 2.184 3.417 ( 0.000 19.769 -0.927) 19.791 3.417 ( 0.000 19.769 0.927) 19.791 3.666 ( 0.000 -5.013 -1.394) 5.203 3.666 ( 0.000 -5.013 1.394) 5.203 3.921 ( 0.000 12.008 -3.620) 12.542 3.921 ( 0.000 12.008 3.620) 12.542 4.183 ( 0.000 -3.002 -0.045) 3.003 4.183 ( 0.000 -3.002 0.045) 3.003 4.462 ( 0.000 12.031 -8.791) 14.901 4.462 ( 0.000 12.031 8.791) 14.901 4.726 ( 0.000 -5.424 -2.310) 5.895 4.726 ( 0.000 -5.424 2.310) 5.895 4.797 ( 0.000 -18.066 -4.278) 18.566 4.797 ( 0.000 -18.066 4.278) 18.566 5.912 ( 0.000 3.043 -2.698) 4.067 5.912 ( 0.000 3.043 2.698) 4.067 6.288 ( 0.000 -0.941 -0.237) 0.970 6.288 ( 0.000 -0.941 0.237) 0.970 6.391 ( 0.000 -1.658 -0.429) 1.712 6.391 ( 0.000 -1.658 0.429) 1.712 6.626 ( 0.000 -2.283 -0.197) 2.292 6.626 ( 0.000 -2.283 0.197) 2.292 7.104 ( 0.000 -0.220 -2.026) 2.037 7.104 ( 0.000 -0.220 2.026) 2.037 7.136 ( 0.000 -1.827 -2.829) 3.367 7.136 ( 0.000 -1.827 2.829) 3.367 8.553 ( 0.000 -0.106 -1.106) 1.111 8.553 ( 0.000 -0.106 1.106) 1.111 8.944 ( 0.000 -0.451 -1.280) 1.358 8.944 ( 0.000 -0.451 1.280) 1.358 9.952 ( 0.000 2.613 -2.037) 3.313 9.952 ( 0.000 2.613 2.037) 3.313 10.164 ( 0.000 1.277 -0.387) 1.334 10.164 ( 0.000 1.277 0.387) 1.334 12.110 ( 0.000 -0.631 -1.245) 1.396 12.110 ( 0.000 -0.631 1.245) 1.396 12.583 ( 0.000 0.074 -0.168) 0.183 12.583 ( 0.000 0.074 0.168) 0.183 14.464 ( 0.000 -0.308 -1.839) 1.865 14.464 ( 0.000 -0.308 1.839) 1.865 14.933 ( 0.000 -2.319 -1.184) 2.603 14.933 ( 0.000 -2.319 1.184) 2.603 20.248 ( 0.000 10.709 -6.247) 12.398 20.248 ( 0.000 10.709 6.247) 12.398 21.336 ( 0.000 9.470 -1.145) 9.539 21.336 ( 0.000 9.470 1.145) 9.539 22.229 ( 0.000 -3.203 -2.586) 4.116 22.229 ( 0.000 -3.203 2.586) 4.116 23.141 ( 0.000 -6.277 -6.202) 8.824 23.141 ( 0.000 -6.277 6.202) 8.824 25.162 ( 0.000 -1.842 -1.453) 2.346 25.162 ( 0.000 -1.842 1.453) 2.346 25.839 ( 0.000 -1.517 -1.549) 2.168 25.839 ( 0.000 -1.517 1.549) 2.168 ======================= Grid point 191 (62/64) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 10.415 0.371 -2.257) 10.663 1.159 ( 10.415 0.371 2.257) 10.663 1.537 ( 1.145 -1.132 -1.489) 2.193 1.537 ( 1.145 -1.132 1.489) 2.193 2.116 ( 0.780 3.973 -3.760) 5.525 2.116 ( 0.780 3.973 3.760) 5.525 2.187 ( -4.556 0.992 -2.890) 5.485 2.187 ( -4.556 0.992 2.890) 5.485 2.427 ( -0.290 4.379 -5.162) 6.775 2.427 ( -0.290 4.379 5.162) 6.775 2.549 ( -4.656 -3.678 -8.006) 9.965 2.549 ( -4.656 -3.678 8.006) 9.965 2.700 ( 4.752 -1.816 -3.799) 6.350 2.700 ( 4.752 -1.816 3.799) 6.350 3.004 ( 7.635 1.077 -2.473) 8.097 3.004 ( 7.635 1.077 2.473) 8.097 3.083 ( -0.701 -0.968 -3.675) 3.864 3.083 ( -0.701 -0.968 3.675) 3.864 3.448 ( 3.059 19.735 -2.940) 20.186 3.448 ( 3.059 19.735 2.940) 20.186 3.691 ( 2.169 -5.397 -3.338) 6.706 3.691 ( 2.169 -5.397 3.338) 6.706 3.901 ( -1.990 14.600 -3.601) 15.168 3.901 ( -1.990 14.600 3.601) 15.168 4.169 ( -1.457 -2.891 -0.438) 3.267 4.169 ( -1.457 -2.891 0.438) 3.267 4.385 ( -5.672 4.322 -6.727) 9.803 4.385 ( -5.672 4.322 6.727) 9.803 4.721 ( -0.576 -11.317 -2.066) 11.519 4.721 ( -0.576 -11.317 2.066) 11.519 4.862 ( 4.755 -7.097 -3.258) 9.143 4.862 ( 4.755 -7.097 3.258) 9.143 5.949 ( 3.627 3.773 -2.538) 5.816 5.949 ( 3.627 3.773 2.538) 5.816 6.272 ( -1.284 -1.780 -1.155) 2.480 6.272 ( -1.284 -1.780 1.155) 2.480 6.396 ( 0.479 -1.061 -0.754) 1.387 6.396 ( 0.479 -1.061 0.754) 1.387 6.626 ( -0.270 -2.449 -1.648) 2.964 6.626 ( -0.270 -2.449 1.648) 2.964 7.084 ( -1.742 -0.145 -1.636) 2.394 7.084 ( -1.742 -0.145 1.636) 2.394 7.128 ( -0.844 -1.919 -2.592) 3.334 7.128 ( -0.844 -1.919 2.592) 3.334 8.576 ( 2.210 0.007 -1.076) 2.458 8.576 ( 2.210 0.007 1.076) 2.458 8.928 ( -1.591 -0.399 -1.255) 2.065 8.928 ( -1.591 -0.399 1.255) 2.065 9.953 ( 0.139 3.174 -1.933) 3.719 9.953 ( 0.139 3.174 1.933) 3.719 10.151 ( -1.213 0.773 -1.134) 1.832 10.151 ( -1.213 0.773 1.134) 1.832 12.159 ( 4.600 -0.716 -1.390) 4.859 12.159 ( 4.600 -0.716 1.390) 4.859 12.574 ( -0.854 -0.031 -0.209) 0.880 12.574 ( -0.854 -0.031 0.209) 0.880 14.492 ( 2.631 -0.209 -1.988) 3.305 14.492 ( 2.631 -0.209 1.988) 3.305 14.917 ( -1.672 -2.545 -1.407) 3.354 14.917 ( -1.672 -2.545 1.407) 3.354 20.274 ( 2.512 11.707 -6.170) 13.470 20.274 ( 2.512 11.707 6.170) 13.470 21.241 ( -8.532 6.034 -3.175) 10.922 21.241 ( -8.532 6.034 3.175) 10.922 22.292 ( 5.518 0.782 -3.717) 6.699 22.292 ( 5.518 0.782 3.717) 6.699 23.107 ( -3.231 -7.364 -6.320) 10.228 23.107 ( -3.231 -7.364 6.320) 10.228 25.177 ( 1.569 -1.811 -1.382) 2.767 25.177 ( 1.569 -1.811 1.382) 2.767 25.779 ( -5.698 -1.258 -1.226) 5.962 25.779 ( -5.698 -1.258 1.226) 5.962 ======================= Grid point 193 (63/64) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 11.506 5.803 -1.948) 13.033 1.394 ( 11.506 5.803 1.948) 13.033 1.594 ( 5.056 -5.261 -2.039) 7.577 1.594 ( 5.056 -5.261 2.039) 7.577 1.983 ( -8.314 3.285 -2.794) 9.366 1.983 ( -8.314 3.285 2.794) 9.366 2.229 ( -1.105 -1.023 -0.744) 1.679 2.229 ( -1.105 -1.023 0.744) 1.679 2.347 ( -2.189 3.534 -2.767) 4.994 2.347 ( -2.189 3.534 2.767) 4.994 2.526 ( 1.221 -2.084 -3.694) 4.413 2.526 ( 1.221 -2.084 3.694) 4.414 2.785 ( 3.554 0.079 -2.558) 4.380 2.785 ( 3.554 0.079 2.558) 4.380 3.029 ( -3.068 -0.278 -2.410) 3.912 3.029 ( -3.068 -0.278 2.410) 3.912 3.220 ( 11.495 0.485 -4.180) 12.241 3.220 ( 11.495 0.485 4.180) 12.241 3.530 ( 4.653 18.172 -4.596) 19.313 3.530 ( 4.653 18.172 4.596) 19.313 3.732 ( 1.223 -4.053 -5.072) 6.607 3.732 ( 1.223 -4.053 5.072) 6.607 3.849 ( -2.736 19.161 -2.112) 19.470 3.849 ( -2.736 19.161 2.112) 19.470 4.100 ( -6.037 0.125 -1.655) 6.261 4.100 ( -6.037 0.125 1.655) 6.261 4.312 ( -0.530 -9.477 -4.386) 10.456 4.312 ( -0.530 -9.477 4.386) 10.456 4.717 ( 0.635 -11.472 -1.748) 11.622 4.717 ( 0.635 -11.472 1.748) 11.622 4.923 ( 0.397 -1.759 -2.536) 3.112 4.923 ( 0.397 -1.759 2.536) 3.112 6.048 ( 5.855 5.933 -3.192) 8.926 6.048 ( 5.855 5.933 3.192) 8.926 6.257 ( 0.244 -3.089 -3.717) 4.839 6.257 ( 0.244 -3.089 3.717) 4.839 6.403 ( 0.041 -0.382 -1.803) 1.843 6.403 ( 0.041 -0.382 1.803) 1.843 6.597 ( -3.027 -2.965 -3.546) 5.525 6.597 ( -3.027 -2.965 3.546) 5.525 7.051 ( -1.147 -0.252 -0.841) 1.444 7.051 ( -1.147 -0.252 0.841) 1.445 7.104 ( -1.440 -2.002 -2.251) 3.339 7.104 ( -1.440 -2.002 2.251) 3.339 8.637 ( 3.817 0.250 -1.037) 3.963 8.637 ( 3.817 0.250 1.037) 3.963 8.882 ( -2.975 -0.294 -1.197) 3.221 8.882 ( -2.975 -0.294 1.197) 3.221 9.959 ( 0.493 4.758 -1.613) 5.048 9.959 ( 0.493 4.758 1.613) 5.048 10.120 ( -1.721 -0.747 -1.503) 2.404 10.120 ( -1.721 -0.747 1.503) 2.404 12.274 ( 6.307 -0.678 -1.479) 6.514 12.274 ( 6.307 -0.678 1.479) 6.514 12.546 ( -2.012 -0.349 -0.378) 2.076 12.546 ( -2.012 -0.349 0.378) 2.076 14.563 ( 4.278 0.431 -2.234) 4.846 14.563 ( 4.278 0.431 2.234) 4.846 14.869 ( -3.039 -3.460 -1.816) 4.950 14.869 ( -3.039 -3.460 1.816) 4.950 20.344 ( 4.393 15.256 -5.670) 16.858 20.344 ( 4.393 15.256 5.670) 16.858 21.042 ( -10.337 -0.729 -4.351) 11.238 21.042 ( -10.337 -0.729 4.351) 11.238 22.414 ( 5.962 8.762 -4.297) 11.436 22.414 ( 5.962 8.762 4.297) 11.436 23.024 ( -4.637 -11.187 -5.892) 13.467 23.024 ( -4.637 -11.187 5.892) 13.467 25.228 ( 3.655 -1.651 -1.187) 4.182 25.228 ( 3.655 -1.651 1.187) 4.182 25.633 ( -8.349 -0.918 -0.741) 8.432 25.633 ( -8.349 -0.918 0.741) 8.432 ======================= Grid point 195 (64/64) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 6.289 8.345 -0.884) 10.486 1.575 ( 6.289 8.345 0.884) 10.486 1.710 ( 2.503 -2.449 -0.950) 3.628 1.710 ( 2.503 -2.449 0.950) 3.628 1.878 ( 1.670 -0.709 -1.414) 2.301 1.878 ( 1.670 -0.709 1.414) 2.301 2.055 ( -11.066 -1.936 -1.556) 11.341 2.055 ( -11.066 -1.936 1.556) 11.341 2.434 ( 5.757 1.533 -2.126) 6.326 2.434 ( 5.757 1.533 2.126) 6.326 2.525 ( -2.005 -0.361 -2.617) 3.317 2.525 ( -2.005 -0.361 2.617) 3.317 2.850 ( 3.107 1.666 -1.237) 3.736 2.850 ( 3.107 1.666 1.237) 3.736 2.956 ( -3.675 -1.910 -1.484) 4.399 2.956 ( -3.675 -1.910 1.484) 4.399 3.442 ( 9.644 2.015 -2.756) 10.230 3.442 ( 9.644 2.015 2.756) 10.230 3.590 ( -0.773 5.671 -2.669) 6.315 3.590 ( -0.773 5.671 2.669) 6.315 3.730 ( 0.352 20.131 -3.660) 20.464 3.730 ( 0.352 20.131 3.660) 20.464 3.809 ( -1.834 13.458 -4.493) 14.306 3.809 ( -1.834 13.458 4.493) 14.306 3.975 ( -4.450 -4.112 -1.951) 6.365 3.975 ( -4.450 -4.112 1.951) 6.365 4.334 ( 1.360 -18.056 -1.480) 18.168 4.334 ( 1.360 -18.056 1.480) 18.168 4.762 ( 3.817 -6.334 -1.366) 7.520 4.762 ( 3.817 -6.334 1.366) 7.520 4.874 ( -4.515 -2.039 -1.651) 5.222 4.874 ( -4.515 -2.039 1.651) 5.222 6.153 ( 3.536 8.922 -3.260) 10.136 6.153 ( 3.536 8.922 3.260) 10.136 6.284 ( 1.564 -3.015 -3.609) 4.956 6.284 ( 1.564 -3.015 3.609) 4.956 6.412 ( 2.008 -1.664 -1.819) 3.180 6.412 ( 2.008 -1.664 1.819) 3.180 6.504 ( -5.754 -3.454 -4.662) 8.172 6.504 ( -5.754 -3.454 4.662) 8.172 7.047 ( 0.688 -0.806 -0.811) 1.335 7.047 ( 0.688 -0.806 0.811) 1.335 7.074 ( -1.472 -1.894 -1.677) 2.927 7.074 ( -1.472 -1.894 1.677) 2.927 8.720 ( 4.179 0.661 -1.001) 4.347 8.720 ( 4.179 0.661 1.001) 4.347 8.813 ( -3.780 -0.447 -1.069) 3.953 8.813 ( -3.780 -0.447 1.069) 3.953 9.970 ( 0.411 6.924 -0.763) 6.978 9.970 ( 0.411 6.924 0.763) 6.978 10.091 ( -0.927 -2.914 -0.799) 3.161 10.091 ( -0.927 -2.914 0.799) 3.161 12.392 ( 5.132 -0.008 -1.133) 5.255 12.392 ( 5.132 -0.008 1.133) 5.255 12.492 ( -3.340 -1.119 -0.672) 3.587 12.492 ( -3.340 -1.119 0.672) 3.587 14.647 ( 3.381 2.929 -1.687) 4.781 14.647 ( 3.381 2.929 1.687) 4.781 14.804 ( -2.815 -6.166 -1.527) 6.948 14.804 ( -2.815 -6.166 1.527) 6.948 20.430 ( 3.272 22.481 -3.118) 22.930 20.430 ( 3.272 22.481 3.118) 22.930 20.870 ( -5.587 -9.515 -2.760) 11.374 20.870 ( -5.587 -9.515 2.760) 11.374 22.507 ( 2.821 17.305 -2.325) 17.687 22.507 ( 2.821 17.305 2.325) 17.687 22.945 ( -2.546 -17.503 -2.900) 17.924 22.945 ( -2.546 -17.503 2.900) 17.924 25.325 ( 6.032 -1.307 -0.907) 6.238 25.325 ( 6.032 -1.307 0.907) 6.238 25.466 ( -7.972 -0.983 -0.668) 8.060 25.466 ( -7.972 -0.983 0.668) 8.060 =================== 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 3/21168 10.0 59.644 59.554 61.435 0.000 0.000 0.000 3/21168 20.0 14.611 36.828 19.155 0.000 0.000 0.000 3/21168 30.0 7.068 21.818 9.706 0.000 0.000 0.000 3/21168 40.0 4.557 15.061 6.454 0.000 0.000 0.000 3/21168 50.0 3.374 11.528 4.873 0.000 0.000 0.000 3/21168 60.0 2.691 9.370 3.936 0.000 0.000 0.000 3/21168 70.0 2.247 7.909 3.312 0.000 0.000 0.000 3/21168 80.0 1.935 6.851 2.865 0.000 0.000 0.000 3/21168 90.0 1.703 6.049 2.529 0.000 0.000 0.000 3/21168 100.0 1.524 5.420 2.267 0.000 0.000 0.000 3/21168 110.0 1.382 4.915 2.057 0.000 0.000 0.000 3/21168 120.0 1.266 4.502 1.885 0.000 0.000 0.000 3/21168 130.0 1.171 4.159 1.741 0.000 0.000 0.000 3/21168 140.0 1.090 3.870 1.620 0.000 0.000 0.000 3/21168 150.0 1.021 3.623 1.516 0.000 0.000 0.000 3/21168 160.0 0.962 3.411 1.426 0.000 0.000 0.000 3/21168 170.0 0.910 3.226 1.347 0.000 0.000 0.000 3/21168 180.0 0.865 3.064 1.278 0.000 0.000 0.000 3/21168 190.0 0.824 2.920 1.216 0.000 0.000 0.000 3/21168 200.0 0.788 2.792 1.161 0.000 0.000 0.000 3/21168 210.0 0.756 2.676 1.111 0.000 0.000 0.000 3/21168 220.0 0.726 2.572 1.066 0.000 0.000 0.000 3/21168 230.0 0.699 2.476 1.025 0.000 0.000 0.000 3/21168 240.0 0.674 2.388 0.988 0.000 0.000 0.000 3/21168 250.0 0.652 2.307 0.953 0.000 0.000 0.000 3/21168 260.0 0.630 2.233 0.921 0.000 0.000 0.000 3/21168 270.0 0.611 2.163 0.891 0.000 0.000 0.000 3/21168 280.0 0.592 2.098 0.864 0.000 0.000 0.000 3/21168 290.0 0.575 2.037 0.838 0.000 0.000 0.000 3/21168 300.0 0.559 1.980 0.814 0.000 0.000 0.000 3/21168 310.0 0.544 1.926 0.791 0.000 0.000 0.000 3/21168 320.0 0.530 1.875 0.769 0.000 0.000 0.000 3/21168 330.0 0.516 1.827 0.749 0.000 0.000 0.000 3/21168 340.0 0.503 1.781 0.730 0.000 0.000 0.000 3/21168 350.0 0.491 1.738 0.712 0.000 0.000 0.000 3/21168 360.0 0.480 1.697 0.695 0.000 0.000 0.000 3/21168 370.0 0.469 1.657 0.678 0.000 0.000 0.000 3/21168 380.0 0.458 1.620 0.663 0.000 0.000 0.000 3/21168 390.0 0.448 1.584 0.648 0.000 0.000 0.000 3/21168 400.0 0.438 1.549 0.633 0.000 0.000 0.000 3/21168 410.0 0.429 1.516 0.620 0.000 0.000 0.000 3/21168 420.0 0.420 1.485 0.607 0.000 0.000 0.000 3/21168 430.0 0.412 1.455 0.594 0.000 0.000 0.000 3/21168 440.0 0.404 1.425 0.582 0.000 0.000 0.000 3/21168 450.0 0.396 1.397 0.571 0.000 0.000 0.000 3/21168 460.0 0.388 1.371 0.560 0.000 0.000 0.000 3/21168 470.0 0.381 1.345 0.549 0.000 0.000 0.000 3/21168 480.0 0.374 1.320 0.539 0.000 0.000 0.000 3/21168 490.0 0.367 1.296 0.529 0.000 0.000 0.000 3/21168 500.0 0.361 1.272 0.519 0.000 0.000 0.000 3/21168 510.0 0.354 1.250 0.510 0.000 0.000 0.000 3/21168 520.0 0.348 1.228 0.501 0.000 0.000 0.000 3/21168 530.0 0.342 1.207 0.493 0.000 0.000 0.000 3/21168 540.0 0.337 1.187 0.484 0.000 0.000 0.000 3/21168 550.0 0.331 1.167 0.476 0.000 0.000 0.000 3/21168 560.0 0.326 1.148 0.469 0.000 0.000 0.000 3/21168 570.0 0.321 1.130 0.461 0.000 0.000 0.000 3/21168 580.0 0.315 1.112 0.454 0.000 0.000 0.000 3/21168 590.0 0.311 1.095 0.447 0.000 0.000 0.000 3/21168 600.0 0.306 1.078 0.440 0.000 0.000 0.000 3/21168 610.0 0.301 1.062 0.433 0.000 0.000 0.000 3/21168 620.0 0.297 1.046 0.427 0.000 0.000 0.000 3/21168 630.0 0.293 1.030 0.420 0.000 0.000 0.000 3/21168 640.0 0.288 1.015 0.414 0.000 0.000 0.000 3/21168 650.0 0.284 1.001 0.408 0.000 0.000 0.000 3/21168 660.0 0.280 0.987 0.403 0.000 0.000 0.000 3/21168 670.0 0.276 0.973 0.397 0.000 0.000 0.000 3/21168 680.0 0.273 0.960 0.392 0.000 0.000 0.000 3/21168 690.0 0.269 0.947 0.386 0.000 0.000 0.000 3/21168 700.0 0.265 0.934 0.381 0.000 0.000 0.000 3/21168 710.0 0.262 0.922 0.376 0.000 0.000 0.000 3/21168 720.0 0.259 0.910 0.371 0.000 0.000 0.000 3/21168 730.0 0.255 0.898 0.366 0.000 0.000 0.000 3/21168 740.0 0.252 0.886 0.362 0.000 0.000 0.000 3/21168 750.0 0.249 0.875 0.357 0.000 0.000 0.000 3/21168 760.0 0.246 0.864 0.353 0.000 0.000 0.000 3/21168 770.0 0.243 0.854 0.348 0.000 0.000 0.000 3/21168 780.0 0.240 0.843 0.344 0.000 0.000 0.000 3/21168 790.0 0.237 0.833 0.340 0.000 0.000 0.000 3/21168 800.0 0.234 0.823 0.336 0.000 0.000 0.000 3/21168 810.0 0.231 0.814 0.332 0.000 0.000 0.000 3/21168 820.0 0.229 0.804 0.328 0.000 0.000 0.000 3/21168 830.0 0.226 0.795 0.324 0.000 0.000 0.000 3/21168 840.0 0.224 0.786 0.321 0.000 0.000 0.000 3/21168 850.0 0.221 0.777 0.317 0.000 0.000 0.000 3/21168 860.0 0.219 0.769 0.314 0.000 0.000 0.000 3/21168 870.0 0.216 0.760 0.310 0.000 0.000 0.000 3/21168 880.0 0.214 0.752 0.307 0.000 0.000 0.000 3/21168 890.0 0.212 0.744 0.304 0.000 0.000 0.000 3/21168 900.0 0.209 0.736 0.300 0.000 0.000 0.000 3/21168 910.0 0.207 0.728 0.297 0.000 0.000 0.000 3/21168 920.0 0.205 0.720 0.294 0.000 0.000 0.000 3/21168 930.0 0.203 0.713 0.291 0.000 0.000 0.000 3/21168 940.0 0.201 0.706 0.288 0.000 0.000 0.000 3/21168 950.0 0.199 0.699 0.285 0.000 0.000 0.000 3/21168 960.0 0.197 0.692 0.282 0.000 0.000 0.000 3/21168 970.0 0.195 0.685 0.279 0.000 0.000 0.000 3/21168 980.0 0.193 0.678 0.277 0.000 0.000 0.000 3/21168 990.0 0.191 0.671 0.274 0.000 0.000 0.000 3/21168 1000.0 0.189 0.665 0.271 0.000 0.000 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:34:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|