----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:19:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.285428025442312 0.000000000000000 0.000000000000000 b -3.142714012721156 5.443340343691704 0.000000000000000 c 0.000000000000000 0.000000000000000 4.998020349999999 Atomic positions (fractional): *1 F 0.84727267309522 0.69454534619045 0.78009759952421 18.998 2 F 0.84727267309523 0.15272732690478 0.78009759952421 18.998 3 F 0.30545465380955 0.15272732690478 0.78009759952421 18.998 4 F 0.15272732690478 0.30545465380955 0.21990240047579 18.998 5 F 0.15272732690478 0.84727267309522 0.21990240047579 18.998 6 F 0.69454534619045 0.84727267309523 0.21990240047579 18.998 *7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 *8 Cs 0.66666666666667 0.33333333333333 0.30054185181969 132.905 9 Cs 0.33333333333333 0.66666666666667 0.69945814818031 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.285428025442312 0.000000000000000 0.000000000000000 b -3.142714012721156 5.443340343691704 0.000000000000000 c 0.000000000000000 0.000000000000000 4.998020349999999 Atomic positions (fractional): *1 F 0.84727267309522 0.69454534619045 0.78009759952421 18.998 > 1 2 F 0.84727267309523 0.15272732690478 0.78009759952421 18.998 > 2 3 F 0.30545465380955 0.15272732690478 0.78009759952421 18.998 > 3 4 F 0.15272732690478 0.30545465380955 0.21990240047579 18.998 > 4 5 F 0.15272732690478 0.84727267309522 0.21990240047579 18.998 > 5 6 F 0.69454534619045 0.84727267309523 0.21990240047579 18.998 > 6 *7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 7 *8 Cs 0.66666666666667 0.33333333333333 0.30054185181969 132.905 > 8 9 Cs 0.33333333333333 0.66666666666667 0.69945814818031 132.905 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.570856050884624 0.000000000000000 0.000000000000000 b -6.285428025442312 10.886680687383407 0.000000000000000 c 0.000000000000000 0.000000000000000 14.994061049999997 Atomic positions (fractional): *1 F 0.42363633654761 0.34727267309522 0.26003253317474 18.998 > 1 2 F 0.92363633654761 0.34727267309522 0.26003253317474 18.998 > 1 3 F 0.42363633654761 0.84727267309522 0.26003253317474 18.998 > 1 4 F 0.92363633654761 0.84727267309522 0.26003253317474 18.998 > 1 5 F 0.42363633654761 0.34727267309522 0.59336586650807 18.998 > 1 6 F 0.92363633654761 0.34727267309522 0.59336586650807 18.998 > 1 7 F 0.42363633654761 0.84727267309522 0.59336586650807 18.998 > 1 8 F 0.92363633654761 0.84727267309522 0.59336586650807 18.998 > 1 9 F 0.42363633654761 0.34727267309522 0.92669919984140 18.998 > 1 10 F 0.92363633654761 0.34727267309522 0.92669919984140 18.998 > 1 11 F 0.42363633654761 0.84727267309522 0.92669919984140 18.998 > 1 12 F 0.92363633654761 0.84727267309522 0.92669919984140 18.998 > 1 13 F 0.42363633654761 0.07636366345239 0.26003253317474 18.998 > 2 14 F 0.92363633654761 0.07636366345239 0.26003253317474 18.998 > 2 15 F 0.42363633654761 0.57636366345239 0.26003253317474 18.998 > 2 16 F 0.92363633654761 0.57636366345239 0.26003253317474 18.998 > 2 17 F 0.42363633654761 0.07636366345239 0.59336586650807 18.998 > 2 18 F 0.92363633654761 0.07636366345239 0.59336586650807 18.998 > 2 19 F 0.42363633654761 0.57636366345239 0.59336586650807 18.998 > 2 20 F 0.92363633654761 0.57636366345239 0.59336586650807 18.998 > 2 21 F 0.42363633654761 0.07636366345239 0.92669919984140 18.998 > 2 22 F 0.92363633654761 0.07636366345239 0.92669919984140 18.998 > 2 23 F 0.42363633654761 0.57636366345239 0.92669919984140 18.998 > 2 24 F 0.92363633654761 0.57636366345239 0.92669919984140 18.998 > 2 25 F 0.15272732690478 0.07636366345239 0.26003253317474 18.998 > 3 26 F 0.65272732690478 0.07636366345239 0.26003253317474 18.998 > 3 27 F 0.15272732690478 0.57636366345239 0.26003253317474 18.998 > 3 28 F 0.65272732690478 0.57636366345239 0.26003253317474 18.998 > 3 29 F 0.15272732690478 0.07636366345239 0.59336586650807 18.998 > 3 30 F 0.65272732690478 0.07636366345239 0.59336586650807 18.998 > 3 31 F 0.15272732690478 0.57636366345239 0.59336586650807 18.998 > 3 32 F 0.65272732690478 0.57636366345239 0.59336586650807 18.998 > 3 33 F 0.15272732690478 0.07636366345239 0.92669919984140 18.998 > 3 34 F 0.65272732690478 0.07636366345239 0.92669919984140 18.998 > 3 35 F 0.15272732690478 0.57636366345239 0.92669919984140 18.998 > 3 36 F 0.65272732690478 0.57636366345239 0.92669919984140 18.998 > 3 37 F 0.07636366345239 0.15272732690478 0.07330080015860 18.998 > 4 38 F 0.57636366345239 0.15272732690478 0.07330080015860 18.998 > 4 39 F 0.07636366345239 0.65272732690478 0.07330080015860 18.998 > 4 40 F 0.57636366345239 0.65272732690478 0.07330080015860 18.998 > 4 41 F 0.07636366345239 0.15272732690478 0.40663413349193 18.998 > 4 42 F 0.57636366345239 0.15272732690478 0.40663413349193 18.998 > 4 43 F 0.07636366345239 0.65272732690478 0.40663413349193 18.998 > 4 44 F 0.57636366345239 0.65272732690478 0.40663413349193 18.998 > 4 45 F 0.07636366345239 0.15272732690478 0.73996746682526 18.998 > 4 46 F 0.57636366345239 0.15272732690478 0.73996746682526 18.998 > 4 47 F 0.07636366345239 0.65272732690478 0.73996746682526 18.998 > 4 48 F 0.57636366345239 0.65272732690478 0.73996746682526 18.998 > 4 49 F 0.07636366345239 0.42363633654761 0.07330080015860 18.998 > 5 50 F 0.57636366345239 0.42363633654761 0.07330080015860 18.998 > 5 51 F 0.07636366345239 0.92363633654761 0.07330080015860 18.998 > 5 52 F 0.57636366345239 0.92363633654761 0.07330080015860 18.998 > 5 53 F 0.07636366345239 0.42363633654761 0.40663413349193 18.998 > 5 54 F 0.57636366345239 0.42363633654761 0.40663413349193 18.998 > 5 55 F 0.07636366345239 0.92363633654761 0.40663413349193 18.998 > 5 56 F 0.57636366345239 0.92363633654761 0.40663413349193 18.998 > 5 57 F 0.07636366345239 0.42363633654761 0.73996746682526 18.998 > 5 58 F 0.57636366345239 0.42363633654761 0.73996746682526 18.998 > 5 59 F 0.07636366345239 0.92363633654761 0.73996746682526 18.998 > 5 60 F 0.57636366345239 0.92363633654761 0.73996746682526 18.998 > 5 61 F 0.34727267309522 0.42363633654761 0.07330080015860 18.998 > 6 62 F 0.84727267309522 0.42363633654761 0.07330080015860 18.998 > 6 63 F 0.34727267309522 0.92363633654761 0.07330080015860 18.998 > 6 64 F 0.84727267309522 0.92363633654761 0.07330080015860 18.998 > 6 65 F 0.34727267309522 0.42363633654761 0.40663413349193 18.998 > 6 66 F 0.84727267309522 0.42363633654761 0.40663413349193 18.998 > 6 67 F 0.34727267309522 0.92363633654761 0.40663413349193 18.998 > 6 68 F 0.84727267309522 0.92363633654761 0.40663413349193 18.998 > 6 69 F 0.34727267309522 0.42363633654761 0.73996746682526 18.998 > 6 70 F 0.84727267309522 0.42363633654761 0.73996746682526 18.998 > 6 71 F 0.34727267309522 0.92363633654761 0.73996746682526 18.998 > 6 72 F 0.84727267309522 0.92363633654761 0.73996746682526 18.998 > 6 *73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 7 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 7 75 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 7 76 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 7 77 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 7 78 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 7 79 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 7 80 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 7 81 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 7 82 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 7 83 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 7 84 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 7 *85 Cs 0.33333333333333 0.16666666666667 0.10018061727323 132.905 > 8 86 Cs 0.83333333333333 0.16666666666667 0.10018061727323 132.905 > 8 87 Cs 0.33333333333333 0.66666666666667 0.10018061727323 132.905 > 8 88 Cs 0.83333333333333 0.66666666666667 0.10018061727323 132.905 > 8 89 Cs 0.33333333333333 0.16666666666667 0.43351395060656 132.905 > 8 90 Cs 0.83333333333333 0.16666666666667 0.43351395060656 132.905 > 8 91 Cs 0.33333333333333 0.66666666666667 0.43351395060656 132.905 > 8 92 Cs 0.83333333333333 0.66666666666667 0.43351395060656 132.905 > 8 93 Cs 0.33333333333333 0.16666666666667 0.76684728393990 132.905 > 8 94 Cs 0.83333333333333 0.16666666666667 0.76684728393990 132.905 > 8 95 Cs 0.33333333333333 0.66666666666667 0.76684728393990 132.905 > 8 96 Cs 0.83333333333333 0.66666666666667 0.76684728393990 132.905 > 8 97 Cs 0.16666666666667 0.33333333333333 0.23315271606010 132.905 > 9 98 Cs 0.66666666666667 0.33333333333333 0.23315271606010 132.905 > 9 99 Cs 0.16666666666667 0.83333333333333 0.23315271606010 132.905 > 9 100 Cs 0.66666666666667 0.83333333333333 0.23315271606010 132.905 > 9 101 Cs 0.16666666666667 0.33333333333333 0.56648604939344 132.905 > 9 102 Cs 0.66666666666667 0.33333333333333 0.56648604939344 132.905 > 9 103 Cs 0.16666666666667 0.83333333333333 0.56648604939344 132.905 > 9 104 Cs 0.66666666666667 0.83333333333333 0.56648604939344 132.905 > 9 105 Cs 0.16666666666667 0.33333333333333 0.89981938272677 132.905 > 9 106 Cs 0.66666666666667 0.33333333333333 0.89981938272677 132.905 > 9 107 Cs 0.16666666666667 0.83333333333333 0.89981938272677 132.905 > 9 108 Cs 0.66666666666667 0.83333333333333 0.89981938272677 132.905 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3452840 -0.0000000 0.0000000 0.0000000 2.3452840 0.0000000 0.0000000 0.0000000 2.2771041 -------------------------- Born effective charges -------------------------- 1 F -0.9489089 0.0000000 0.0000000 0.0000000 -1.1794957 -0.2742006 0.0000000 -0.2858658 -0.9999950 2 F -1.1218490 0.0998470 -0.2374647 0.0998470 -1.0065556 0.1371003 -0.2475671 0.1429329 -0.9999950 3 F -1.1218490 -0.0998470 0.2374647 -0.0998470 -1.0065556 0.1371003 0.2475671 0.1429329 -0.9999950 4 F -0.9489089 0.0000000 0.0000000 0.0000000 -1.1794957 -0.2742006 0.0000000 -0.2858658 -0.9999950 5 F -1.1218490 0.0998470 -0.2374647 0.0998470 -1.0065556 0.1371003 -0.2475671 0.1429329 -0.9999950 6 F -1.1218490 -0.0998470 0.2374647 -0.0998470 -1.0065556 0.1371003 0.2475671 0.1429329 -0.9999950 7 Sn 3.6041336 0.0000000 -0.0000000 0.0000000 3.6041336 -0.0000000 0.0000000 0.0000000 3.3318107 8 Cs 1.3905401 0.0000000 -0.0000000 0.0000000 1.3905401 -0.0000000 0.0000000 0.0000000 1.3340798 9 Cs 1.3905401 0.0000000 -0.0000000 0.0000000 1.3905401 -0.0000000 0.0000000 0.0000000 1.3340798 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 266 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.023 Solver_block: 100 / 160 - Time: 0.370 Solver_block: 160 / 160 - Time: 0.255 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.767 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 266 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:19:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:19:14]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.285428025442312 0.000000000000000 0.000000000000000 b -3.142714012721156 5.443340343691704 0.000000000000000 c 0.000000000000000 0.000000000000000 4.998020349999999 Atomic positions (fractional): 1 F 0.84727267309522 0.69454534619045 0.78009759952421 18.998 2 F 0.84727267309523 0.15272732690478 0.78009759952421 18.998 3 F 0.30545465380955 0.15272732690478 0.78009759952421 18.998 4 F 0.15272732690478 0.30545465380955 0.21990240047579 18.998 5 F 0.15272732690478 0.84727267309522 0.21990240047579 18.998 6 F 0.69454534619045 0.84727267309523 0.21990240047579 18.998 7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 8 Cs 0.66666666666667 0.33333333333333 0.30054185181969 132.905 9 Cs 0.33333333333333 0.66666666666667 0.69945814818031 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.570856050884624 0.000000000000000 0.000000000000000 b -6.285428025442312 10.886680687383407 0.000000000000000 c 0.000000000000000 0.000000000000000 14.994061049999997 Atomic positions (fractional): 1 F 0.42363633654761 0.34727267309522 0.26003253317474 18.998 > 1 2 F 0.92363633654761 0.34727267309522 0.26003253317474 18.998 > 1 3 F 0.42363633654761 0.84727267309522 0.26003253317474 18.998 > 1 4 F 0.92363633654761 0.84727267309522 0.26003253317474 18.998 > 1 5 F 0.42363633654761 0.34727267309522 0.59336586650807 18.998 > 1 6 F 0.92363633654761 0.34727267309522 0.59336586650807 18.998 > 1 7 F 0.42363633654761 0.84727267309522 0.59336586650807 18.998 > 1 8 F 0.92363633654761 0.84727267309522 0.59336586650807 18.998 > 1 9 F 0.42363633654761 0.34727267309522 0.92669919984140 18.998 > 1 10 F 0.92363633654761 0.34727267309522 0.92669919984140 18.998 > 1 11 F 0.42363633654761 0.84727267309522 0.92669919984140 18.998 > 1 12 F 0.92363633654761 0.84727267309522 0.92669919984140 18.998 > 1 13 F 0.42363633654761 0.07636366345239 0.26003253317474 18.998 > 13 14 F 0.92363633654761 0.07636366345239 0.26003253317474 18.998 > 13 15 F 0.42363633654761 0.57636366345239 0.26003253317474 18.998 > 13 16 F 0.92363633654761 0.57636366345239 0.26003253317474 18.998 > 13 17 F 0.42363633654761 0.07636366345239 0.59336586650807 18.998 > 13 18 F 0.92363633654761 0.07636366345239 0.59336586650807 18.998 > 13 19 F 0.42363633654761 0.57636366345239 0.59336586650807 18.998 > 13 20 F 0.92363633654761 0.57636366345239 0.59336586650807 18.998 > 13 21 F 0.42363633654761 0.07636366345239 0.92669919984140 18.998 > 13 22 F 0.92363633654761 0.07636366345239 0.92669919984140 18.998 > 13 23 F 0.42363633654761 0.57636366345239 0.92669919984140 18.998 > 13 24 F 0.92363633654761 0.57636366345239 0.92669919984140 18.998 > 13 25 F 0.15272732690478 0.07636366345239 0.26003253317474 18.998 > 25 26 F 0.65272732690478 0.07636366345239 0.26003253317474 18.998 > 25 27 F 0.15272732690478 0.57636366345239 0.26003253317474 18.998 > 25 28 F 0.65272732690478 0.57636366345239 0.26003253317474 18.998 > 25 29 F 0.15272732690478 0.07636366345239 0.59336586650807 18.998 > 25 30 F 0.65272732690478 0.07636366345239 0.59336586650807 18.998 > 25 31 F 0.15272732690478 0.57636366345239 0.59336586650807 18.998 > 25 32 F 0.65272732690478 0.57636366345239 0.59336586650807 18.998 > 25 33 F 0.15272732690478 0.07636366345239 0.92669919984140 18.998 > 25 34 F 0.65272732690478 0.07636366345239 0.92669919984140 18.998 > 25 35 F 0.15272732690478 0.57636366345239 0.92669919984140 18.998 > 25 36 F 0.65272732690478 0.57636366345239 0.92669919984140 18.998 > 25 37 F 0.07636366345239 0.15272732690478 0.07330080015860 18.998 > 37 38 F 0.57636366345239 0.15272732690478 0.07330080015860 18.998 > 37 39 F 0.07636366345239 0.65272732690478 0.07330080015860 18.998 > 37 40 F 0.57636366345239 0.65272732690478 0.07330080015860 18.998 > 37 41 F 0.07636366345239 0.15272732690478 0.40663413349193 18.998 > 37 42 F 0.57636366345239 0.15272732690478 0.40663413349193 18.998 > 37 43 F 0.07636366345239 0.65272732690478 0.40663413349193 18.998 > 37 44 F 0.57636366345239 0.65272732690478 0.40663413349193 18.998 > 37 45 F 0.07636366345239 0.15272732690478 0.73996746682526 18.998 > 37 46 F 0.57636366345239 0.15272732690478 0.73996746682526 18.998 > 37 47 F 0.07636366345239 0.65272732690478 0.73996746682526 18.998 > 37 48 F 0.57636366345239 0.65272732690478 0.73996746682526 18.998 > 37 49 F 0.07636366345239 0.42363633654761 0.07330080015860 18.998 > 49 50 F 0.57636366345239 0.42363633654761 0.07330080015860 18.998 > 49 51 F 0.07636366345239 0.92363633654761 0.07330080015860 18.998 > 49 52 F 0.57636366345239 0.92363633654761 0.07330080015860 18.998 > 49 53 F 0.07636366345239 0.42363633654761 0.40663413349193 18.998 > 49 54 F 0.57636366345239 0.42363633654761 0.40663413349193 18.998 > 49 55 F 0.07636366345239 0.92363633654761 0.40663413349193 18.998 > 49 56 F 0.57636366345239 0.92363633654761 0.40663413349193 18.998 > 49 57 F 0.07636366345239 0.42363633654761 0.73996746682526 18.998 > 49 58 F 0.57636366345239 0.42363633654761 0.73996746682526 18.998 > 49 59 F 0.07636366345239 0.92363633654761 0.73996746682526 18.998 > 49 60 F 0.57636366345239 0.92363633654761 0.73996746682526 18.998 > 49 61 F 0.34727267309522 0.42363633654761 0.07330080015860 18.998 > 61 62 F 0.84727267309522 0.42363633654761 0.07330080015860 18.998 > 61 63 F 0.34727267309522 0.92363633654761 0.07330080015860 18.998 > 61 64 F 0.84727267309522 0.92363633654761 0.07330080015860 18.998 > 61 65 F 0.34727267309522 0.42363633654761 0.40663413349193 18.998 > 61 66 F 0.84727267309522 0.42363633654761 0.40663413349193 18.998 > 61 67 F 0.34727267309522 0.92363633654761 0.40663413349193 18.998 > 61 68 F 0.84727267309522 0.92363633654761 0.40663413349193 18.998 > 61 69 F 0.34727267309522 0.42363633654761 0.73996746682526 18.998 > 61 70 F 0.84727267309522 0.42363633654761 0.73996746682526 18.998 > 61 71 F 0.34727267309522 0.92363633654761 0.73996746682526 18.998 > 61 72 F 0.84727267309522 0.92363633654761 0.73996746682526 18.998 > 61 73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 73 75 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 73 76 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 73 77 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 73 78 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 73 79 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 73 80 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 73 81 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 73 82 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 73 83 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 73 84 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 73 85 Cs 0.33333333333333 0.16666666666667 0.10018061727323 132.905 > 85 86 Cs 0.83333333333333 0.16666666666667 0.10018061727323 132.905 > 85 87 Cs 0.33333333333333 0.66666666666667 0.10018061727323 132.905 > 85 88 Cs 0.83333333333333 0.66666666666667 0.10018061727323 132.905 > 85 89 Cs 0.33333333333333 0.16666666666667 0.43351395060656 132.905 > 85 90 Cs 0.83333333333333 0.16666666666667 0.43351395060656 132.905 > 85 91 Cs 0.33333333333333 0.66666666666667 0.43351395060656 132.905 > 85 92 Cs 0.83333333333333 0.66666666666667 0.43351395060656 132.905 > 85 93 Cs 0.33333333333333 0.16666666666667 0.76684728393990 132.905 > 85 94 Cs 0.83333333333333 0.16666666666667 0.76684728393990 132.905 > 85 95 Cs 0.33333333333333 0.66666666666667 0.76684728393990 132.905 > 85 96 Cs 0.83333333333333 0.66666666666667 0.76684728393990 132.905 > 85 97 Cs 0.16666666666667 0.33333333333333 0.23315271606010 132.905 > 97 98 Cs 0.66666666666667 0.33333333333333 0.23315271606010 132.905 > 97 99 Cs 0.16666666666667 0.83333333333333 0.23315271606010 132.905 > 97 100 Cs 0.66666666666667 0.83333333333333 0.23315271606010 132.905 > 97 101 Cs 0.16666666666667 0.33333333333333 0.56648604939344 132.905 > 97 102 Cs 0.66666666666667 0.33333333333333 0.56648604939344 132.905 > 97 103 Cs 0.16666666666667 0.83333333333333 0.56648604939344 132.905 > 97 104 Cs 0.66666666666667 0.83333333333333 0.56648604939344 132.905 > 97 105 Cs 0.16666666666667 0.33333333333333 0.89981938272677 132.905 > 97 106 Cs 0.66666666666667 0.33333333333333 0.89981938272677 132.905 > 97 107 Cs 0.16666666666667 0.83333333333333 0.89981938272677 132.905 > 97 108 Cs 0.66666666666667 0.83333333333333 0.89981938272677 132.905 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3452840 -0.0000000 0.0000000 0.0000000 2.3452840 0.0000000 0.0000000 0.0000000 2.2771041 -------------------------- Born effective charges -------------------------- 1 F -0.9489089 0.0000000 0.0000000 0.0000000 -1.1794957 -0.2742006 0.0000000 -0.2858658 -0.9999950 2 F -1.1218490 0.0998470 -0.2374647 0.0998470 -1.0065556 0.1371003 -0.2475671 0.1429329 -0.9999950 3 F -1.1218490 -0.0998470 0.2374647 -0.0998470 -1.0065556 0.1371003 0.2475671 0.1429329 -0.9999950 4 F -0.9489089 0.0000000 0.0000000 0.0000000 -1.1794957 -0.2742006 0.0000000 -0.2858658 -0.9999950 5 F -1.1218490 0.0998470 -0.2374647 0.0998470 -1.0065556 0.1371003 -0.2475671 0.1429329 -0.9999950 6 F -1.1218490 -0.0998470 0.2374647 -0.0998470 -1.0065556 0.1371003 0.2475671 0.1429329 -0.9999950 7 Sn 3.6041336 0.0000000 -0.0000000 0.0000000 3.6041336 -0.0000000 0.0000000 0.0000000 3.3318107 8 Cs 1.3905401 0.0000000 -0.0000000 0.0000000 1.3905401 -0.0000000 0.0000000 0.0000000 1.3340798 9 Cs 1.3905401 0.0000000 -0.0000000 0.0000000 1.3905401 -0.0000000 0.0000000 0.0000000 1.3340798 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:19:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:19:21]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.285428025442312 0.000000000000000 0.000000000000000 b -3.142714012721156 5.443340343691704 0.000000000000000 c 0.000000000000000 0.000000000000000 4.998020349999999 Atomic positions (fractional): 1 F 0.84727267309522 0.69454534619045 0.78009759952421 18.998 2 F 0.84727267309523 0.15272732690478 0.78009759952421 18.998 3 F 0.30545465380955 0.15272732690478 0.78009759952421 18.998 4 F 0.15272732690478 0.30545465380955 0.21990240047579 18.998 5 F 0.15272732690478 0.84727267309522 0.21990240047579 18.998 6 F 0.69454534619045 0.84727267309523 0.21990240047579 18.998 7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 8 Cs 0.66666666666667 0.33333333333333 0.30054185181969 132.905 9 Cs 0.33333333333333 0.66666666666667 0.69945814818031 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.570856050884624 0.000000000000000 0.000000000000000 b -6.285428025442312 10.886680687383407 0.000000000000000 c 0.000000000000000 0.000000000000000 14.994061049999997 Atomic positions (fractional): 1 F 0.42363633654761 0.34727267309522 0.26003253317474 18.998 > 1 2 F 0.92363633654761 0.34727267309522 0.26003253317474 18.998 > 1 3 F 0.42363633654761 0.84727267309522 0.26003253317474 18.998 > 1 4 F 0.92363633654761 0.84727267309522 0.26003253317474 18.998 > 1 5 F 0.42363633654761 0.34727267309522 0.59336586650807 18.998 > 1 6 F 0.92363633654761 0.34727267309522 0.59336586650807 18.998 > 1 7 F 0.42363633654761 0.84727267309522 0.59336586650807 18.998 > 1 8 F 0.92363633654761 0.84727267309522 0.59336586650807 18.998 > 1 9 F 0.42363633654761 0.34727267309522 0.92669919984140 18.998 > 1 10 F 0.92363633654761 0.34727267309522 0.92669919984140 18.998 > 1 11 F 0.42363633654761 0.84727267309522 0.92669919984140 18.998 > 1 12 F 0.92363633654761 0.84727267309522 0.92669919984140 18.998 > 1 13 F 0.42363633654761 0.07636366345239 0.26003253317474 18.998 > 13 14 F 0.92363633654761 0.07636366345239 0.26003253317474 18.998 > 13 15 F 0.42363633654761 0.57636366345239 0.26003253317474 18.998 > 13 16 F 0.92363633654761 0.57636366345239 0.26003253317474 18.998 > 13 17 F 0.42363633654761 0.07636366345239 0.59336586650807 18.998 > 13 18 F 0.92363633654761 0.07636366345239 0.59336586650807 18.998 > 13 19 F 0.42363633654761 0.57636366345239 0.59336586650807 18.998 > 13 20 F 0.92363633654761 0.57636366345239 0.59336586650807 18.998 > 13 21 F 0.42363633654761 0.07636366345239 0.92669919984140 18.998 > 13 22 F 0.92363633654761 0.07636366345239 0.92669919984140 18.998 > 13 23 F 0.42363633654761 0.57636366345239 0.92669919984140 18.998 > 13 24 F 0.92363633654761 0.57636366345239 0.92669919984140 18.998 > 13 25 F 0.15272732690478 0.07636366345239 0.26003253317474 18.998 > 25 26 F 0.65272732690478 0.07636366345239 0.26003253317474 18.998 > 25 27 F 0.15272732690478 0.57636366345239 0.26003253317474 18.998 > 25 28 F 0.65272732690478 0.57636366345239 0.26003253317474 18.998 > 25 29 F 0.15272732690478 0.07636366345239 0.59336586650807 18.998 > 25 30 F 0.65272732690478 0.07636366345239 0.59336586650807 18.998 > 25 31 F 0.15272732690478 0.57636366345239 0.59336586650807 18.998 > 25 32 F 0.65272732690478 0.57636366345239 0.59336586650807 18.998 > 25 33 F 0.15272732690478 0.07636366345239 0.92669919984140 18.998 > 25 34 F 0.65272732690478 0.07636366345239 0.92669919984140 18.998 > 25 35 F 0.15272732690478 0.57636366345239 0.92669919984140 18.998 > 25 36 F 0.65272732690478 0.57636366345239 0.92669919984140 18.998 > 25 37 F 0.07636366345239 0.15272732690478 0.07330080015860 18.998 > 37 38 F 0.57636366345239 0.15272732690478 0.07330080015860 18.998 > 37 39 F 0.07636366345239 0.65272732690478 0.07330080015860 18.998 > 37 40 F 0.57636366345239 0.65272732690478 0.07330080015860 18.998 > 37 41 F 0.07636366345239 0.15272732690478 0.40663413349193 18.998 > 37 42 F 0.57636366345239 0.15272732690478 0.40663413349193 18.998 > 37 43 F 0.07636366345239 0.65272732690478 0.40663413349193 18.998 > 37 44 F 0.57636366345239 0.65272732690478 0.40663413349193 18.998 > 37 45 F 0.07636366345239 0.15272732690478 0.73996746682526 18.998 > 37 46 F 0.57636366345239 0.15272732690478 0.73996746682526 18.998 > 37 47 F 0.07636366345239 0.65272732690478 0.73996746682526 18.998 > 37 48 F 0.57636366345239 0.65272732690478 0.73996746682526 18.998 > 37 49 F 0.07636366345239 0.42363633654761 0.07330080015860 18.998 > 49 50 F 0.57636366345239 0.42363633654761 0.07330080015860 18.998 > 49 51 F 0.07636366345239 0.92363633654761 0.07330080015860 18.998 > 49 52 F 0.57636366345239 0.92363633654761 0.07330080015860 18.998 > 49 53 F 0.07636366345239 0.42363633654761 0.40663413349193 18.998 > 49 54 F 0.57636366345239 0.42363633654761 0.40663413349193 18.998 > 49 55 F 0.07636366345239 0.92363633654761 0.40663413349193 18.998 > 49 56 F 0.57636366345239 0.92363633654761 0.40663413349193 18.998 > 49 57 F 0.07636366345239 0.42363633654761 0.73996746682526 18.998 > 49 58 F 0.57636366345239 0.42363633654761 0.73996746682526 18.998 > 49 59 F 0.07636366345239 0.92363633654761 0.73996746682526 18.998 > 49 60 F 0.57636366345239 0.92363633654761 0.73996746682526 18.998 > 49 61 F 0.34727267309522 0.42363633654761 0.07330080015860 18.998 > 61 62 F 0.84727267309522 0.42363633654761 0.07330080015860 18.998 > 61 63 F 0.34727267309522 0.92363633654761 0.07330080015860 18.998 > 61 64 F 0.84727267309522 0.92363633654761 0.07330080015860 18.998 > 61 65 F 0.34727267309522 0.42363633654761 0.40663413349193 18.998 > 61 66 F 0.84727267309522 0.42363633654761 0.40663413349193 18.998 > 61 67 F 0.34727267309522 0.92363633654761 0.40663413349193 18.998 > 61 68 F 0.84727267309522 0.92363633654761 0.40663413349193 18.998 > 61 69 F 0.34727267309522 0.42363633654761 0.73996746682526 18.998 > 61 70 F 0.84727267309522 0.42363633654761 0.73996746682526 18.998 > 61 71 F 0.34727267309522 0.92363633654761 0.73996746682526 18.998 > 61 72 F 0.84727267309522 0.92363633654761 0.73996746682526 18.998 > 61 73 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 73 75 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 73 76 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 73 77 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 73 78 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 73 79 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 73 80 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 73 81 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 73 82 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 73 83 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 73 84 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 73 85 Cs 0.33333333333333 0.16666666666667 0.10018061727323 132.905 > 85 86 Cs 0.83333333333333 0.16666666666667 0.10018061727323 132.905 > 85 87 Cs 0.33333333333333 0.66666666666667 0.10018061727323 132.905 > 85 88 Cs 0.83333333333333 0.66666666666667 0.10018061727323 132.905 > 85 89 Cs 0.33333333333333 0.16666666666667 0.43351395060656 132.905 > 85 90 Cs 0.83333333333333 0.16666666666667 0.43351395060656 132.905 > 85 91 Cs 0.33333333333333 0.66666666666667 0.43351395060656 132.905 > 85 92 Cs 0.83333333333333 0.66666666666667 0.43351395060656 132.905 > 85 93 Cs 0.33333333333333 0.16666666666667 0.76684728393990 132.905 > 85 94 Cs 0.83333333333333 0.16666666666667 0.76684728393990 132.905 > 85 95 Cs 0.33333333333333 0.66666666666667 0.76684728393990 132.905 > 85 96 Cs 0.83333333333333 0.66666666666667 0.76684728393990 132.905 > 85 97 Cs 0.16666666666667 0.33333333333333 0.23315271606010 132.905 > 97 98 Cs 0.66666666666667 0.33333333333333 0.23315271606010 132.905 > 97 99 Cs 0.16666666666667 0.83333333333333 0.23315271606010 132.905 > 97 100 Cs 0.66666666666667 0.83333333333333 0.23315271606010 132.905 > 97 101 Cs 0.16666666666667 0.33333333333333 0.56648604939344 132.905 > 97 102 Cs 0.66666666666667 0.33333333333333 0.56648604939344 132.905 > 97 103 Cs 0.16666666666667 0.83333333333333 0.56648604939344 132.905 > 97 104 Cs 0.66666666666667 0.83333333333333 0.56648604939344 132.905 > 97 105 Cs 0.16666666666667 0.33333333333333 0.89981938272677 132.905 > 97 106 Cs 0.66666666666667 0.33333333333333 0.89981938272677 132.905 > 97 107 Cs 0.16666666666667 0.83333333333333 0.89981938272677 132.905 > 97 108 Cs 0.66666666666667 0.83333333333333 0.89981938272677 132.905 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3452840 -0.0000000 0.0000000 0.0000000 2.3452840 0.0000000 0.0000000 0.0000000 2.2771041 -------------------------- Born effective charges -------------------------- 1 F -0.9489089 0.0000000 0.0000000 0.0000000 -1.1794957 -0.2742006 0.0000000 -0.2858658 -0.9999950 2 F -1.1218490 0.0998470 -0.2374647 0.0998470 -1.0065556 0.1371003 -0.2475671 0.1429329 -0.9999950 3 F -1.1218490 -0.0998470 0.2374647 -0.0998470 -1.0065556 0.1371003 0.2475671 0.1429329 -0.9999950 4 F -0.9489089 0.0000000 0.0000000 0.0000000 -1.1794957 -0.2742006 0.0000000 -0.2858658 -0.9999950 5 F -1.1218490 0.0998470 -0.2374647 0.0998470 -1.0065556 0.1371003 -0.2475671 0.1429329 -0.9999950 6 F -1.1218490 -0.0998470 0.2374647 -0.0998470 -1.0065556 0.1371003 0.2475671 0.1429329 -0.9999950 7 Sn 3.6041336 0.0000000 -0.0000000 0.0000000 3.6041336 -0.0000000 0.0000000 0.0000000 3.3318107 8 Cs 1.3905401 0.0000000 -0.0000000 0.0000000 1.3905401 -0.0000000 0.0000000 0.0000000 1.3340798 9 Cs 1.3905401 0.0000000 -0.0000000 0.0000000 1.3905401 -0.0000000 0.0000000 0.0000000 1.3340798 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 10 ] 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: 0.75, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 15.364 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 16.032 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 12.744 7.358 -3.219) 15.063 0.316 ( 13.311 7.685 -2.526) 15.576 0.628 ( 26.192 15.122 2.713) 30.365 1.560 ( -0.885 -0.511 -0.077) 1.025 1.798 ( -3.144 -1.815 2.112) 4.200 1.903 ( -2.109 -1.218 1.429) 2.824 1.935 ( 0.476 0.275 -2.200) 2.267 2.216 ( -1.781 -1.028 0.672) 2.164 2.277 ( 2.798 1.615 -0.176) 3.236 2.282 ( 1.930 1.114 -0.476) 2.279 2.454 ( 2.759 1.593 -0.961) 3.328 3.271 ( -3.429 -1.980 0.684) 4.018 4.569 ( -0.426 -0.246 0.218) 0.538 4.607 ( 0.930 0.537 -0.451) 1.165 5.124 ( 2.157 1.245 0.007) 2.491 6.053 ( -1.041 -0.601 -0.410) 1.270 6.766 ( -1.528 -0.882 -0.191) 1.774 6.832 ( 3.684 2.127 1.313) 4.452 6.978 ( 1.229 0.710 0.086) 1.422 7.024 ( -0.342 -0.197 -0.046) 0.397 8.083 ( -0.878 -0.507 -0.872) 1.337 13.146 ( -0.204 -0.118 -0.250) 0.343 13.197 ( 4.071 2.350 -1.266) 4.868 15.341 ( -1.964 -1.134 -0.724) 2.381 15.676 ( 0.048 0.028 0.155) 0.165 16.030 ( -0.096 -0.055 0.005) 0.111 16.716 ( -0.975 -0.563 1.749) 2.080 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 12.133 7.005 -2.638) 14.256 0.625 ( 12.809 7.395 -2.784) 15.050 1.224 ( 24.067 13.895 2.272) 27.883 1.527 ( -1.937 -1.118 -0.588) 2.312 1.697 ( -5.284 -3.051 2.490) 6.590 1.818 ( -5.101 -2.945 2.467) 6.386 1.937 ( -0.353 -0.204 -2.335) 2.370 2.188 ( -0.359 -0.207 0.697) 0.811 2.351 ( 3.801 2.194 -0.428) 4.410 2.367 ( 4.454 2.571 -0.419) 5.160 2.517 ( 2.412 1.393 -0.896) 2.926 3.148 ( -7.004 -4.044 0.892) 8.136 4.555 ( -0.734 -0.424 0.313) 0.903 4.637 ( 1.524 0.880 -0.680) 1.887 5.192 ( 3.445 1.989 0.036) 3.978 6.023 ( -1.398 -0.807 -0.543) 1.703 6.724 ( -1.864 -1.076 -0.248) 2.167 6.947 ( 5.634 3.253 2.809) 7.086 7.009 ( 1.321 0.763 0.078) 1.527 7.013 ( -0.422 -0.244 -0.709) 0.860 8.052 ( -1.695 -0.978 -1.543) 2.492 13.139 ( -0.317 -0.183 -0.387) 0.532 13.329 ( 6.732 3.887 -2.046) 8.038 15.275 ( -3.465 -2.001 -1.061) 4.140 15.678 ( 0.067 0.039 0.241) 0.253 16.028 ( -0.140 -0.081 0.027) 0.163 16.685 ( -1.538 -0.888 2.716) 3.246 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 10.941 6.317 -1.827) 12.765 0.915 ( 11.693 6.751 -3.002) 13.832 1.464 ( -3.180 -1.836 -1.448) 3.947 1.561 ( -5.791 -3.344 2.682) 7.205 1.670 ( -7.236 -4.178 2.911) 8.848 1.741 ( 17.165 9.910 0.431) 19.825 1.942 ( 3.175 1.833 -0.263) 3.675 2.193 ( 0.558 0.322 0.597) 0.879 2.444 ( 3.657 2.111 -0.339) 4.237 2.468 ( 3.705 2.139 -0.534) 4.312 2.564 ( 1.565 0.904 -0.461) 1.865 2.940 ( -10.690 -6.172 0.524) 12.354 4.537 ( -0.716 -0.413 0.258) 0.865 4.673 ( 1.420 0.820 -0.590) 1.742 5.274 ( 3.173 1.832 0.054) 3.664 5.992 ( -1.109 -0.640 -0.415) 1.346 6.684 ( -1.464 -0.845 -0.204) 1.703 6.998 ( -0.421 -0.243 0.981) 1.095 7.036 ( 0.881 0.509 0.045) 1.018 7.086 ( 5.361 3.095 1.150) 6.296 8.006 ( -2.025 -1.169 -1.666) 2.871 13.132 ( -0.283 -0.163 -0.344) 0.475 13.493 ( 6.621 3.823 -1.941) 7.888 15.187 ( -3.709 -2.142 -0.848) 4.366 15.679 ( 0.051 0.030 0.215) 0.223 16.024 ( -0.114 -0.066 0.043) 0.138 16.649 ( -1.399 -0.808 2.423) 2.912 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 7.931 4.579 -0.823) 9.194 1.160 ( 8.131 4.694 -2.418) 9.695 1.357 ( -5.548 -3.203 -0.610) 6.435 1.461 ( -2.021 -1.167 1.041) 2.555 1.495 ( -6.648 -3.838 2.393) 8.041 1.863 ( 0.083 0.048 -0.497) 0.506 2.205 ( 0.325 0.187 0.247) 0.449 2.266 ( 17.433 10.065 1.227) 20.167 2.507 ( 1.456 0.841 -0.277) 1.704 2.528 ( 1.280 0.739 -0.324) 1.513 2.591 ( 0.673 0.389 -0.048) 0.779 2.644 ( -14.335 -8.276 -0.160) 16.553 4.524 ( -0.300 -0.173 0.098) 0.360 4.698 ( 0.577 0.333 -0.232) 0.706 5.329 ( 1.294 0.747 0.027) 1.494 5.974 ( -0.417 -0.241 -0.151) 0.504 6.659 ( -0.563 -0.325 -0.080) 0.655 6.991 ( -0.189 -0.109 0.235) 0.321 7.050 ( 0.300 0.173 0.014) 0.346 7.182 ( 2.330 1.345 0.731) 2.788 7.967 ( -1.025 -0.592 -0.785) 1.420 13.127 ( -0.113 -0.065 -0.137) 0.189 13.612 ( 2.879 1.662 -0.817) 3.424 15.118 ( -1.720 -0.993 -0.298) 2.008 15.680 ( 0.018 0.011 0.086) 0.088 16.023 ( -0.042 -0.024 0.022) 0.053 16.625 ( -0.565 -0.326 0.965) 1.165 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 6.514 11.283 0.000) 13.029 0.606 ( 8.501 14.725 0.000) 17.003 1.060 ( 14.019 24.281 0.000) 28.037 1.538 ( -0.986 -1.707 0.000) 1.971 1.718 ( -3.249 -5.627 0.000) 6.497 1.896 ( -1.278 -2.213 0.000) 2.555 1.904 ( -0.572 -0.991 0.000) 1.144 2.248 ( -0.097 -0.168 0.000) 0.193 2.251 ( 1.300 2.252 0.000) 2.600 2.364 ( 2.772 4.800 0.000) 5.543 2.497 ( 1.291 2.236 0.000) 2.582 3.191 ( -3.378 -5.851 0.000) 6.757 4.562 ( -0.224 -0.389 0.000) 0.449 4.625 ( 0.671 1.162 0.000) 1.342 5.172 ( 1.921 3.327 0.000) 3.841 6.031 ( -0.808 -1.400 0.000) 1.616 6.775 ( -0.362 -0.627 0.000) 0.724 6.830 ( 0.410 0.710 0.000) 0.820 7.016 ( -0.289 -0.501 0.000) 0.578 7.047 ( 2.913 5.046 0.000) 5.827 8.059 ( -1.016 -1.760 0.000) 2.032 13.166 ( 0.521 0.902 0.000) 1.042 13.261 ( 2.775 4.806 0.000) 5.549 15.295 ( -1.874 -3.247 0.000) 3.749 15.689 ( 0.678 1.174 0.000) 1.356 16.028 ( -0.079 -0.137 0.000) 0.158 16.687 ( -1.268 -2.197 0.000) 2.537 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 10.085 7.752 -1.147) 12.772 0.898 ( 7.380 14.695 -1.753) 16.537 1.482 ( -0.628 -1.379 -0.321) 1.549 1.563 ( 13.917 15.046 1.985) 20.591 1.587 ( -2.698 -5.397 -0.195) 6.037 1.797 ( -7.092 -0.246 2.899) 7.666 1.904 ( 1.529 -2.595 -1.841) 3.530 2.227 ( -2.087 3.126 0.599) 3.806 2.350 ( 6.150 0.121 -0.584) 6.179 2.455 ( 2.194 3.438 -0.190) 4.083 2.541 ( 1.795 1.205 -0.328) 2.186 3.031 ( -7.075 -7.338 0.380) 10.201 4.553 ( -0.756 0.284 0.204) 0.833 4.653 ( 1.363 0.578 -0.400) 1.534 5.249 ( 2.606 3.426 0.028) 4.305 6.001 ( -0.952 -1.199 -0.262) 1.553 6.730 ( -3.548 1.040 -0.372) 3.715 6.879 ( 5.740 -4.445 1.020) 7.331 7.005 ( -0.376 -0.471 -0.053) 0.605 7.162 ( 1.719 8.974 0.556) 9.154 8.012 ( -1.486 -2.928 -0.962) 3.421 13.171 ( -1.747 2.815 -0.067) 3.314 13.390 ( 6.955 2.347 -1.261) 7.448 15.216 ( -2.810 -3.519 -0.489) 4.529 15.719 ( -0.446 3.921 -0.002) 3.946 16.025 ( -0.098 -0.123 0.026) 0.159 16.633 ( -0.875 -4.191 1.522) 4.544 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 10.143 5.346 -1.022) 11.511 1.159 ( 5.308 13.421 -2.429) 14.636 1.401 ( -4.079 -4.447 -0.631) 6.067 1.458 ( -1.992 -4.807 1.074) 5.313 1.638 ( -9.625 -0.293 2.778) 10.022 1.862 ( 0.572 0.919 -1.080) 1.529 2.055 ( 16.713 9.643 1.369) 19.344 2.234 ( -1.128 3.419 0.451) 3.628 2.449 ( 4.702 -0.500 -0.765) 4.790 2.500 ( 1.422 -0.556 -0.069) 1.529 2.584 ( 1.203 1.414 -0.144) 1.862 2.793 ( -10.902 -7.938 0.125) 13.487 4.543 ( -1.060 1.066 0.170) 1.513 4.680 ( 1.361 -0.260 -0.342) 1.427 5.321 ( 1.616 2.619 0.033) 3.078 5.977 ( -0.555 -0.773 -0.203) 0.973 6.686 ( -2.301 0.827 -0.193) 2.453 6.922 ( 5.080 -5.934 0.722) 7.844 6.995 ( -0.163 -0.386 -0.140) 0.441 7.276 ( -0.575 10.388 0.827) 10.437 7.955 ( -0.671 -3.959 -1.065) 4.154 13.168 ( -2.210 3.438 -0.100) 4.088 13.525 ( 6.532 -0.651 -1.103) 6.657 15.137 ( -2.234 -2.486 -0.365) 3.363 15.748 ( -2.500 6.642 -0.080) 7.098 16.023 ( -0.055 -0.077 0.038) 0.102 16.580 ( 1.061 -5.984 1.377) 6.231 ======================= Grid point 13 (9/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.694 -1.202 0.000) 1.388 1.227 ( -0.498 0.862 0.000) 0.995 1.395 ( -4.299 7.447 0.000) 8.599 1.409 ( 1.137 -1.969 -0.000) 2.274 1.490 ( -1.051 1.820 -0.000) 2.102 1.862 ( 0.144 -0.250 0.000) 0.288 2.239 ( -1.661 2.877 -0.000) 3.322 2.406 ( 1.713 -2.967 -0.000) 3.426 2.449 ( 1.167 -2.021 -0.000) 2.333 2.500 ( 0.896 -1.553 0.000) 1.793 2.566 ( -0.749 1.298 0.000) 1.499 2.602 ( -0.332 0.575 0.000) 0.664 4.539 ( -0.892 1.544 0.000) 1.783 4.691 ( 0.582 -1.009 -0.000) 1.165 5.350 ( -0.694 1.202 0.000) 1.388 5.968 ( 0.166 -0.287 0.000) 0.331 6.670 ( -0.750 1.299 0.000) 1.500 6.937 ( 3.807 -6.595 -0.000) 7.615 6.992 ( 0.188 -0.325 -0.000) 0.376 7.329 ( -5.144 8.909 -0.000) 10.287 7.925 ( 1.983 -3.435 0.000) 3.967 13.165 ( -2.118 3.668 -0.000) 4.235 13.584 ( 2.373 -4.109 0.000) 4.745 15.102 ( 0.326 -0.564 0.000) 0.651 15.761 ( -4.286 7.424 -0.000) 8.573 16.022 ( 0.015 -0.026 -0.000) 0.029 16.558 ( 3.482 -6.031 0.000) 6.964 ======================= Grid point 21 (10/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 5.445 9.431 0.000) 10.890 1.189 ( 7.751 13.425 0.000) 15.501 1.422 ( -1.986 -3.440 0.000) 3.972 1.441 ( -3.974 -6.883 0.000) 7.948 1.763 ( -2.158 -3.738 0.000) 4.316 1.851 ( -0.689 -1.193 0.000) 1.378 1.928 ( 9.799 16.972 0.000) 19.597 2.284 ( 1.202 2.082 0.000) 2.404 2.381 ( 1.629 2.822 0.000) 3.259 2.480 ( -0.325 -0.564 0.000) 0.651 2.580 ( 1.261 2.185 0.000) 2.523 2.851 ( -5.922 -10.257 0.000) 11.844 4.564 ( 0.427 0.739 0.000) 0.853 4.660 ( 0.120 0.207 0.000) 0.239 5.321 ( 1.884 3.263 0.000) 3.767 5.978 ( -0.575 -0.997 0.000) 1.151 6.738 ( -0.512 -0.887 0.000) 1.025 6.816 ( -0.647 -1.120 0.000) 1.294 6.995 ( -0.242 -0.420 0.000) 0.485 7.342 ( 4.887 8.465 0.000) 9.774 7.935 ( -2.611 -4.523 0.000) 5.222 13.229 ( 1.374 2.379 0.000) 2.747 13.436 ( 1.290 2.235 0.000) 2.580 15.144 ( -1.875 -3.247 0.000) 3.750 15.824 ( 3.444 5.965 0.000) 6.888 16.023 ( -0.060 -0.104 0.000) 0.120 16.524 ( -3.526 -6.108 0.000) 7.053 ======================= Grid point 22 (11/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 5.802 5.249 -0.231) 7.827 1.293 ( -5.778 -2.625 0.023) 6.347 1.367 ( 0.362 -3.368 -0.001) 3.387 1.443 ( 6.198 9.576 -1.090) 11.459 1.642 ( -9.417 1.276 1.525) 9.625 1.836 ( 1.386 -3.050 -0.470) 3.383 2.254 ( 9.929 8.886 0.770) 13.346 2.320 ( -0.129 4.736 0.054) 4.738 2.431 ( 1.338 -1.171 -1.295) 2.200 2.458 ( 0.667 -2.911 0.658) 3.058 2.610 ( 0.222 0.825 -0.002) 0.854 2.626 ( -7.410 -8.102 0.005) 10.980 4.577 ( -0.775 2.157 0.060) 2.293 4.662 ( 0.839 -1.423 -0.087) 1.654 5.371 ( 0.422 1.983 0.006) 2.027 5.964 ( -0.145 -0.513 -0.032) 0.534 6.710 ( -2.021 1.446 -0.096) 2.487 6.816 ( 2.844 -4.324 0.164) 5.178 6.989 ( -0.064 -0.223 -0.010) 0.232 7.487 ( -0.352 10.135 0.271) 10.145 7.845 ( 0.005 -6.758 -0.304) 6.765 13.260 ( -2.296 5.354 0.045) 5.826 13.475 ( 3.708 -4.011 -0.239) 5.468 15.095 ( -0.685 -1.494 -0.046) 1.644 15.934 ( -2.071 11.070 -0.159) 11.263 16.022 ( -0.002 -0.046 0.032) 0.056 16.412 ( 1.501 -10.253 0.330) 10.368 ======================= Grid point 31 (12/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.000 -0.000 0.000) 0.000 1.292 ( -1.445 -2.502 0.000) 2.889 1.292 ( 1.445 2.502 0.000) 2.889 1.545 ( -0.000 -0.000 0.000) 0.000 1.735 ( -3.273 -5.669 0.000) 6.546 1.735 ( 3.273 5.669 0.000) 6.546 2.387 ( -1.920 -3.325 0.000) 3.839 2.387 ( 1.920 3.325 0.000) 3.839 2.417 ( -0.437 -0.758 0.000) 0.875 2.417 ( 0.437 0.758 0.000) 0.875 2.494 ( 0.000 0.000 0.000) 0.000 2.618 ( -0.000 -0.000 0.000) 0.000 4.624 ( -1.111 -1.924 0.000) 2.222 4.624 ( 1.111 1.924 0.000) 2.222 5.392 ( -0.000 -0.000 0.000) 0.000 5.958 ( -0.000 -0.000 0.000) 0.000 6.748 ( -1.199 -2.076 0.000) 2.397 6.748 ( 1.199 2.076 0.000) 2.397 6.987 ( -0.000 -0.000 0.000) 0.000 7.683 ( -4.454 -7.715 0.000) 8.908 7.683 ( 4.454 7.715 0.000) 8.908 13.374 ( -2.762 -4.785 0.000) 5.525 13.374 ( 2.762 4.785 0.000) 5.525 15.079 ( -0.000 -0.000 0.000) 0.000 16.021 ( -0.000 -0.000 0.000) 0.000 16.178 ( -6.091 -10.551 0.000) 12.183 16.178 ( 6.091 10.551 0.000) 12.183 ======================= Grid point 91 (13/100) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 -0.000 15.098) 15.098 0.303 ( 0.000 0.000 15.098) 15.098 0.508 ( 0.000 0.000 24.952) 24.952 1.584 ( 0.000 0.000 1.340) 1.340 1.912 ( 0.000 0.000 -1.424) 1.424 1.912 ( 0.000 0.000 -1.424) 1.424 2.246 ( 0.000 0.000 -1.200) 1.200 2.246 ( 0.000 -0.000 -1.200) 1.200 2.258 ( 0.000 0.000 2.684) 2.684 2.406 ( 0.000 0.000 -0.504) 0.504 2.406 ( 0.000 -0.000 -0.504) 0.504 2.690 ( 0.000 0.000 -2.080) 2.080 4.518 ( 0.000 0.000 -5.400) 5.400 4.518 ( -0.000 0.000 -5.400) 5.400 5.087 ( 0.000 0.000 -1.024) 1.024 6.807 ( 0.000 0.000 1.903) 1.903 6.807 ( 0.000 0.000 1.903) 1.903 6.922 ( 0.000 0.000 -7.587) 7.587 6.964 ( 0.000 0.000 0.285) 0.285 6.964 ( 0.000 0.000 0.285) 0.285 7.319 ( 0.000 0.000 7.104) 7.104 13.161 ( 0.000 -0.000 1.272) 1.272 13.161 ( 0.000 0.000 1.272) 1.272 15.667 ( 0.000 -0.000 -0.866) 0.866 15.667 ( -0.000 -0.000 -0.866) 0.866 16.029 ( 0.000 0.000 -0.214) 0.214 16.392 ( 0.000 0.000 -1.685) 1.685 ======================= Grid point 92 (14/100) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 6.948 4.011 11.032) 13.640 0.394 ( 8.465 4.887 8.831) 13.173 0.834 ( 20.679 11.939 15.324) 28.372 1.556 ( -1.795 -1.036 0.696) 2.186 1.893 ( -0.300 -0.173 -2.302) 2.328 1.920 ( -0.779 -0.450 0.218) 0.926 2.052 ( -11.062 -6.386 13.744) 18.763 2.230 ( -1.867 -1.078 0.439) 2.200 2.265 ( 1.819 1.050 -1.125) 2.382 2.286 ( 2.678 1.546 1.262) 3.340 2.430 ( 2.592 1.496 -1.186) 3.220 3.018 ( 7.092 4.094 -16.306) 18.247 4.517 ( -0.332 -0.192 -5.274) 5.288 4.530 ( 0.983 0.567 -6.160) 6.264 5.113 ( 2.153 1.243 -1.041) 2.695 6.289 ( -15.139 -8.740 12.416) 21.441 6.782 ( -1.628 -0.940 1.721) 2.549 6.865 ( 3.573 2.063 1.763) 4.487 6.982 ( 1.259 0.727 0.388) 1.505 7.099 ( 0.509 0.294 6.344) 6.371 7.784 ( 12.677 7.319 -17.614) 22.903 13.154 ( -0.361 -0.209 1.083) 1.161 13.211 ( 3.476 2.007 2.018) 4.492 15.484 ( -7.951 -4.591 8.507) 12.517 15.670 ( 0.146 0.084 -0.750) 0.768 16.033 ( -0.060 -0.035 0.132) 0.149 16.537 ( 5.499 3.175 -12.297) 13.839 ======================= Grid point 93 (15/100) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 11.037 6.372 4.241) 13.432 0.632 ( 10.950 6.322 3.266) 13.059 1.339 ( 21.097 12.180 8.842) 25.916 1.508 ( -2.410 -1.391 -0.452) 2.819 1.817 ( -7.068 -4.081 5.120) 9.635 1.863 ( -4.092 -2.363 2.032) 5.143 1.927 ( -0.044 -0.025 3.066) 3.067 2.199 ( -0.530 -0.306 0.328) 0.694 2.335 ( 3.804 2.196 -1.118) 4.532 2.369 ( 4.002 2.311 0.287) 4.630 2.499 ( 2.995 1.729 -0.507) 3.495 3.033 ( -4.035 -2.330 -10.773) 11.738 4.503 ( -0.788 -0.455 -5.317) 5.395 4.561 ( 1.553 0.897 -6.400) 6.646 5.181 ( 3.432 1.982 -1.087) 4.110 6.092 ( -4.299 -2.482 5.807) 7.640 6.740 ( -1.839 -1.062 1.702) 2.722 6.960 ( 3.798 2.193 0.422) 4.406 7.014 ( 1.277 0.737 0.361) 1.518 7.114 ( 1.242 0.717 8.058) 8.185 7.919 ( 1.618 0.934 -10.107) 10.278 13.146 ( -0.344 -0.199 1.000) 1.076 13.325 ( 6.094 3.519 1.666) 7.232 15.335 ( -5.307 -3.064 5.908) 8.512 15.673 ( 0.084 0.049 -0.698) 0.705 16.029 ( -0.232 -0.134 0.094) 0.284 16.602 ( 0.731 0.422 -9.698) 9.735 ======================= Grid point 94 (16/100) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 11.268 6.506 2.211) 13.198 0.891 ( 10.789 6.229 0.469) 12.467 1.441 ( -3.139 -1.812 -0.554) 3.666 1.639 ( -6.499 -3.752 4.602) 8.803 1.734 ( -6.666 -3.848 3.445) 8.433 1.789 ( 12.991 7.500 4.210) 15.581 1.964 ( 5.632 3.252 2.532) 6.979 2.199 ( 0.322 0.186 0.050) 0.375 2.426 ( 3.559 2.055 -1.361) 4.329 2.456 ( 3.113 1.797 -1.019) 3.736 2.566 ( 2.607 1.505 1.109) 3.208 2.869 ( -9.469 -5.467 -7.126) 13.051 4.482 ( -0.878 -0.507 -5.516) 5.608 4.599 ( 1.586 0.916 -6.417) 6.673 5.262 ( 3.132 1.808 -1.165) 3.800 6.028 ( -1.573 -0.908 3.500) 3.943 6.701 ( -1.363 -0.787 1.805) 2.395 7.013 ( 0.767 0.443 1.100) 1.412 7.039 ( 0.834 0.481 0.282) 1.003 7.172 ( 3.216 1.857 6.323) 7.333 7.926 ( -0.356 -0.205 -5.931) 5.945 13.139 ( -0.163 -0.094 1.065) 1.082 13.483 ( 6.759 3.902 1.016) 7.870 15.223 ( -4.142 -2.391 4.036) 6.258 15.674 ( -0.023 -0.013 -0.739) 0.739 16.024 ( -0.217 -0.125 -0.121) 0.278 16.593 ( -1.176 -0.679 -7.570) 7.691 ======================= Grid point 95 (17/100) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 9.539 5.507 2.678) 11.335 1.128 ( 8.906 5.142 -0.783) 10.313 1.358 ( -4.213 -2.432 0.793) 4.929 1.498 ( -4.419 -2.551 2.558) 5.708 1.562 ( -7.489 -4.324 4.200) 9.614 1.892 ( 0.834 0.482 3.243) 3.383 2.204 ( -0.059 -0.034 -0.296) 0.304 2.275 ( 15.147 8.745 0.087) 17.491 2.479 ( -0.566 -0.327 -2.932) 3.004 2.510 ( 1.408 0.813 -1.606) 2.285 2.606 ( -11.371 -6.565 -3.116) 13.494 2.613 ( 1.155 0.667 2.308) 2.666 4.465 ( -0.481 -0.278 -5.763) 5.789 4.629 ( 0.871 0.503 -6.308) 6.388 5.316 ( 1.240 0.716 -1.250) 1.901 6.007 ( -0.280 -0.162 3.175) 3.192 6.679 ( -0.429 -0.247 1.953) 2.015 7.017 ( -0.173 -0.100 2.290) 2.298 7.052 ( 0.269 0.156 0.225) 0.384 7.225 ( 0.649 0.375 3.247) 3.333 7.925 ( 0.589 0.340 -3.208) 3.279 13.139 ( 0.100 0.058 1.252) 1.257 13.616 ( 3.878 2.239 1.192) 4.634 15.153 ( -1.472 -0.850 3.518) 3.907 15.672 ( -0.115 -0.066 -0.854) 0.864 16.020 ( -0.119 -0.068 -0.303) 0.332 16.558 ( -1.668 -0.963 -7.383) 7.630 ======================= Grid point 96 (18/100) ======================= q-point: (-0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -7.594 -4.384 5.342) 10.268 1.221 ( -4.470 -2.581 3.306) 6.130 1.375 ( 7.370 4.255 1.067) 8.577 1.456 ( 0.473 0.273 0.427) 0.693 1.470 ( 3.122 1.803 0.129) 3.608 1.911 ( 0.920 0.531 4.166) 4.299 2.195 ( -0.647 -0.374 -0.639) 0.983 2.216 ( -16.352 -9.441 -3.641) 19.229 2.498 ( -0.751 -0.434 -1.098) 1.400 2.522 ( -0.419 -0.242 -1.010) 1.120 2.614 ( -0.962 -0.555 2.328) 2.579 2.614 ( 11.334 6.544 -2.647) 13.352 4.462 ( 0.179 0.103 -5.923) 5.926 4.637 ( -0.277 -0.160 -6.110) 6.118 5.315 ( -1.312 -0.757 -1.284) 1.986 6.013 ( 0.755 0.436 3.428) 3.537 6.682 ( 0.666 0.385 2.072) 2.210 7.010 ( -0.463 -0.267 2.143) 2.209 7.052 ( -0.314 -0.181 0.204) 0.416 7.196 ( -2.774 -1.601 1.925) 3.736 7.954 ( 1.675 0.967 -1.941) 2.741 13.144 ( 0.314 0.181 1.469) 1.513 13.643 ( -1.687 -0.974 2.129) 2.886 15.165 ( 2.510 1.449 4.139) 5.052 15.669 ( -0.144 -0.083 -0.990) 1.004 16.019 ( 0.050 0.029 -0.355) 0.360 16.523 ( -1.161 -0.670 -8.773) 8.875 ======================= Grid point 97 (19/100) ======================= q-point: (-0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -10.350 -5.975 5.522) 13.165 1.011 ( -10.961 -6.328 6.492) 14.224 1.482 ( 1.852 1.069 0.432) 2.182 1.546 ( 4.994 2.883 1.012) 5.854 1.616 ( 6.937 4.005 -2.562) 8.410 1.766 ( -16.564 -9.563 2.178) 19.250 1.980 ( 0.879 0.507 3.742) 3.877 2.178 ( -0.635 -0.367 -0.761) 1.057 2.441 ( -3.481 -2.010 -0.551) 4.057 2.482 ( -3.064 -1.769 0.627) 3.593 2.578 ( -1.864 -1.076 1.140) 2.436 2.855 ( 8.478 4.895 -7.189) 12.146 4.473 ( 0.692 0.399 -5.934) 5.988 4.617 ( -1.289 -0.744 -5.942) 6.125 5.260 ( -3.135 -1.810 -1.231) 3.824 6.044 ( 1.893 1.093 4.143) 4.684 6.708 ( 1.498 0.865 2.108) 2.727 6.984 ( -2.130 -1.230 0.349) 2.484 7.038 ( -0.886 -0.511 0.216) 1.045 7.122 ( -2.647 -1.528 3.795) 4.873 7.988 ( 0.861 0.497 -3.167) 3.319 13.152 ( 0.376 0.217 1.611) 1.668 13.546 ( -6.084 -3.513 2.904) 7.602 15.258 ( 4.930 2.847 5.832) 8.150 15.666 ( -0.109 -0.063 -1.080) 1.087 16.022 ( 0.243 0.140 -0.176) 0.331 16.507 ( -0.185 -0.107 -10.972) 10.974 ======================= Grid point 98 (20/100) ======================= q-point: (-0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -11.521 -6.652 5.832) 14.526 0.740 ( -11.750 -6.784 8.364) 15.939 1.252 ( -20.858 -12.042 5.179) 24.635 1.522 ( 1.609 0.929 0.182) 1.866 1.745 ( 6.895 3.981 4.431) 9.111 1.764 ( 5.355 3.092 -3.041) 6.891 2.012 ( 0.953 0.550 5.292) 5.405 2.174 ( 0.427 0.247 -0.662) 0.826 2.353 ( -3.585 -2.070 -0.168) 4.143 2.390 ( -4.363 -2.519 1.730) 5.327 2.528 ( -2.413 -1.393 0.280) 2.801 3.005 ( 3.909 2.257 -11.602) 12.449 4.491 ( 0.816 0.471 -5.818) 5.893 4.581 ( -1.717 -0.991 -5.938) 6.260 5.180 ( -3.386 -1.955 -1.130) 4.070 6.111 ( 4.300 2.483 6.533) 8.206 6.749 ( 1.839 1.062 2.075) 2.969 6.906 ( -3.908 -2.256 -0.260) 4.520 7.011 ( -1.326 -0.765 0.240) 1.550 7.091 ( -0.283 -0.164 5.668) 5.677 7.976 ( -2.462 -1.421 -7.671) 8.181 13.160 ( 0.261 0.151 1.613) 1.641 13.383 ( -7.174 -4.142 2.682) 8.707 15.379 ( 5.135 2.965 8.031) 9.982 15.664 ( -0.031 -0.018 -1.081) 1.081 16.029 ( 0.297 0.171 0.170) 0.383 16.510 ( 0.277 0.160 -12.853) 12.857 ======================= Grid point 99 (21/100) ======================= q-point: (-0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -10.938 -6.315 7.623) 14.752 0.473 ( -10.321 -5.959 11.530) 16.582 0.778 ( -18.045 -10.418 15.278) 25.838 1.559 ( 1.538 0.888 0.927) 2.003 1.863 ( 3.036 1.753 -2.651) 4.395 1.904 ( 4.377 2.527 2.322) 5.562 2.056 ( 6.700 3.868 10.323) 12.900 2.203 ( 1.999 1.154 -0.723) 2.419 2.285 ( -2.147 -1.239 0.005) 2.479 2.297 ( -3.104 -1.792 2.048) 4.128 2.464 ( -2.939 -1.697 0.048) 3.393 2.999 ( -6.230 -3.597 -16.821) 18.295 4.508 ( 0.601 0.347 -5.617) 5.660 4.541 ( -1.510 -0.872 -5.928) 6.179 5.113 ( -2.125 -1.227 -1.049) 2.669 6.304 ( 14.822 8.558 12.936) 21.454 6.789 ( 1.445 0.834 2.021) 2.621 6.828 ( -2.302 -1.329 1.059) 2.861 6.979 ( -1.217 -0.702 0.243) 1.426 7.091 ( -0.055 -0.032 5.504) 5.504 7.812 ( -14.171 -8.181 -16.688) 23.372 13.163 ( 0.030 0.017 1.480) 1.480 13.230 ( -5.374 -3.103 1.420) 6.366 15.509 ( 6.636 3.831 9.262) 12.021 15.664 ( 0.060 0.035 -0.996) 0.998 16.034 ( 0.039 0.023 0.193) 0.198 16.495 ( -2.605 -1.504 -12.727) 13.078 ======================= Grid point 101 (22/100) ======================= q-point: ( 0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 2.545 10.884 8.169) 13.844 0.644 ( 4.090 15.788 3.965) 16.784 1.160 ( 15.112 18.899 9.344) 25.939 1.526 ( -1.504 -1.766 -0.030) 2.320 1.797 ( -2.302 -8.975 3.297) 9.834 1.862 ( 2.740 -3.552 -0.734) 4.546 1.981 ( -4.210 -0.372 6.144) 7.457 2.233 ( 4.094 -1.715 -0.917) 4.532 2.265 ( -3.013 3.630 0.745) 4.776 2.372 ( 2.192 4.853 0.847) 5.392 2.493 ( 0.285 3.222 -0.264) 3.246 3.040 ( -0.082 -2.502 -12.553) 12.800 4.504 ( 0.212 -0.698 -5.587) 5.634 4.558 ( 0.020 1.718 -6.107) 6.344 5.160 ( 1.921 3.249 -1.111) 3.934 6.133 ( -4.031 -5.357 7.482) 10.047 6.790 ( -2.208 0.475 1.572) 2.752 6.844 ( 3.563 -1.356 1.373) 4.052 7.020 ( 1.148 1.609 0.503) 2.039 7.115 ( 2.205 1.956 5.902) 6.597 7.928 ( 0.091 4.526 -10.680) 11.600 13.173 ( 0.177 1.035 0.881) 1.371 13.294 ( 0.803 6.037 2.601) 6.623 15.386 ( -4.684 -4.788 7.381) 9.967 15.680 ( 0.843 1.017 -0.858) 1.575 16.031 ( -0.136 -0.214 0.201) 0.324 16.547 ( 3.170 -1.677 -11.693) 12.230 ======================= Grid point 102 (23/100) ======================= q-point: ( 0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 7.625 8.590 4.442) 12.315 0.893 ( 5.482 15.460 1.094) 16.439 1.470 ( -2.432 -2.217 -0.468) 3.324 1.603 ( 10.647 6.921 4.144) 13.358 1.663 ( 1.522 -1.555 4.556) 5.049 1.873 ( -5.104 0.706 1.927) 5.501 1.894 ( 1.638 -3.108 3.479) 4.944 2.232 ( -1.787 2.565 -0.091) 3.128 2.338 ( 5.547 0.523 -0.635) 5.608 2.449 ( 1.478 2.997 -0.601) 3.395 2.544 ( 2.022 2.574 0.932) 3.403 2.943 ( -5.386 -6.232 -8.430) 11.787 4.498 ( -0.608 0.034 -5.529) 5.563 4.581 ( 1.026 0.932 -6.329) 6.479 5.237 ( 2.630 3.295 -1.217) 4.388 6.048 ( -2.041 -1.769 4.164) 4.963 6.743 ( -3.274 0.979 1.601) 3.774 6.903 ( 5.625 -4.339 1.350) 7.231 7.031 ( -0.223 -0.297 2.149) 2.181 7.209 ( 2.371 7.096 4.162) 8.562 7.932 ( -1.276 -0.251 -6.444) 6.574 13.180 ( -1.649 2.924 0.888) 3.472 13.398 ( 5.313 3.415 1.951) 6.611 15.264 ( -4.051 -3.829 4.795) 7.353 15.708 ( -0.424 3.461 -1.059) 3.644 16.026 ( -0.183 -0.189 0.000) 0.263 16.555 ( 1.522 -4.523 -8.630) 9.862 ======================= Grid point 103 (24/100) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 9.447 6.191 2.294) 11.526 1.139 ( 4.863 13.951 0.195) 14.775 1.395 ( -3.129 -2.672 0.173) 4.119 1.493 ( -2.975 -7.597 2.392) 8.502 1.718 ( -9.554 -0.148 4.988) 10.779 1.871 ( 1.876 0.246 1.908) 2.687 2.084 ( 15.408 8.335 1.723) 17.603 2.236 ( -1.244 3.165 -0.174) 3.405 2.427 ( 3.859 -0.945 -1.543) 4.262 2.487 ( 1.569 -0.081 -1.264) 2.016 2.602 ( 1.512 1.946 2.062) 3.214 2.736 ( -9.756 -7.069 -5.383) 13.195 4.486 ( -1.169 0.886 -5.704) 5.889 4.609 ( 1.446 -0.038 -6.355) 6.518 5.307 ( 1.639 2.460 -1.329) 3.241 6.012 ( -0.738 -0.651 3.319) 3.462 6.704 ( -2.077 0.874 1.839) 2.908 6.944 ( 4.754 -5.655 1.328) 7.506 7.020 ( -0.341 -0.500 2.420) 2.495 7.312 ( -0.775 8.901 2.699) 9.333 7.902 ( 0.086 -2.398 -3.920) 4.596 13.179 ( -2.167 3.656 1.169) 4.408 13.528 ( 6.415 0.195 1.323) 6.553 15.172 ( -2.476 -2.459 3.613) 5.023 15.733 ( -2.227 5.908 -1.370) 6.460 16.021 ( -0.158 -0.123 -0.213) 0.292 16.520 ( 1.115 -6.279 -7.070) 9.521 ======================= Grid point 104 (25/100) ======================= q-point: ( 0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 5.505 1.152 3.626) 6.691 1.234 ( -2.668 -0.233 1.341) 2.995 1.384 ( 0.186 7.799 -0.717) 7.834 1.422 ( 1.706 -0.975 1.067) 2.236 1.538 ( -8.370 -0.724 4.320) 9.447 1.893 ( 1.444 -0.377 2.991) 3.343 2.230 ( -2.000 2.348 -0.719) 3.167 2.366 ( -8.292 -7.287 -3.847) 11.690 2.421 ( 10.084 3.557 -1.753) 10.836 2.516 ( 1.268 -1.466 0.555) 2.016 2.539 ( -0.974 0.434 -2.346) 2.577 2.627 ( -0.245 0.647 2.470) 2.565 4.478 ( -1.011 1.405 -5.907) 6.155 4.626 ( 0.850 -0.858 -6.222) 6.338 5.335 ( -0.655 1.062 -1.399) 1.874 6.005 ( 0.299 -0.098 3.345) 3.360 6.691 ( -0.606 1.393 2.026) 2.532 6.952 ( 3.153 -6.628 1.353) 7.463 7.014 ( 0.211 -0.149 2.222) 2.237 7.341 ( -5.826 7.846 1.167) 9.842 7.903 ( 2.955 -2.535 -2.060) 4.405 13.179 ( -2.010 3.731 1.358) 4.450 13.602 ( 3.277 -3.508 1.694) 5.091 15.139 ( 0.739 -0.506 3.536) 3.648 15.746 ( -3.885 6.969 -1.449) 8.109 16.018 ( -0.031 -0.054 -0.354) 0.359 16.480 ( 1.945 -6.246 -7.411) 9.885 ======================= Grid point 106 (26/100) ======================= q-point: (-0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -8.622 -6.666 5.033) 12.005 1.232 ( -13.412 1.035 4.489) 14.181 1.414 ( 7.641 0.966 0.521) 7.720 1.452 ( 2.924 -0.463 0.558) 3.013 1.606 ( 4.356 9.075 -0.584) 10.083 1.917 ( -0.081 -0.050 4.252) 4.253 2.026 ( -15.219 -8.179 -1.507) 17.342 2.220 ( -2.545 2.513 -0.827) 3.671 2.456 ( -2.256 -3.677 -0.155) 4.317 2.493 ( 0.570 -1.738 -0.670) 1.948 2.606 ( -2.160 -0.335 2.086) 3.022 2.736 ( 10.393 4.614 -5.052) 12.443 4.480 ( -0.430 1.432 -5.964) 6.149 4.620 ( -0.213 -1.351 -6.051) 6.203 5.306 ( -2.997 -0.163 -1.371) 3.300 6.020 ( 1.348 0.164 3.651) 3.895 6.711 ( 0.510 2.491 2.105) 3.300 6.924 ( 1.557 -6.845 0.919) 7.080 7.021 ( 0.651 -0.166 2.285) 2.382 7.279 ( -8.323 5.676 1.068) 10.131 7.943 ( 3.460 -1.876 -2.149) 4.484 13.183 ( -1.729 3.335 1.388) 4.005 13.565 ( -1.722 -6.032 2.528) 6.763 15.187 ( 4.305 0.505 4.360) 6.148 15.736 ( -4.330 5.436 -1.234) 7.058 16.020 ( 0.170 0.079 -0.282) 0.339 16.470 ( 2.667 -3.474 -9.059) 10.062 ======================= Grid point 107 (27/100) ======================= q-point: (-0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -10.212 -6.028 6.227) 13.394 0.960 ( -15.636 -2.385 4.174) 16.358 1.485 ( 2.570 -0.577 0.129) 2.637 1.539 ( -9.790 -0.317 1.282) 9.879 1.651 ( -3.077 -1.183 3.540) 4.837 1.760 ( 3.040 7.471 -0.799) 8.105 1.967 ( 2.702 -2.222 4.672) 5.837 2.211 ( -1.628 3.342 -0.815) 3.806 2.360 ( -3.113 -4.973 0.299) 5.875 2.459 ( -3.233 -0.725 0.149) 3.316 2.553 ( -2.579 -1.203 1.037) 3.029 2.932 ( 7.460 2.434 -8.669) 11.693 4.490 ( 0.158 1.034 -5.841) 5.934 4.594 ( -1.108 -1.333 -5.997) 6.243 5.236 ( -4.171 -0.546 -1.252) 4.389 6.057 ( 2.842 0.094 4.549) 5.365 6.756 ( 0.908 3.564 2.067) 4.219 6.872 ( 0.210 -5.827 0.611) 5.863 7.030 ( 0.261 0.056 2.031) 2.049 7.185 ( -7.199 3.548 2.775) 8.492 7.968 ( 1.256 -2.032 -4.840) 5.397 13.184 ( -1.435 2.187 1.192) 2.874 13.437 ( -5.083 -5.855 2.936) 8.291 15.284 ( 6.046 -0.149 5.776) 8.363 15.708 ( -3.145 2.371 -1.013) 4.067 16.025 ( 0.291 0.127 0.003) 0.317 16.501 ( 2.150 0.772 -10.715) 10.956 ======================= Grid point 112 (28/100) ======================= q-point: ( 0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 3.965 9.506 4.088) 11.081 1.210 ( 4.998 14.944 1.787) 15.859 1.419 ( -2.603 -2.637 -0.044) 3.706 1.462 ( -2.692 -8.074 1.748) 8.689 1.780 ( 3.651 -5.583 1.297) 6.795 1.878 ( -5.219 -0.093 2.695) 5.874 1.946 ( 10.852 13.941 1.953) 17.775 2.273 ( 2.112 1.487 -0.912) 2.740 2.383 ( 0.204 3.515 0.097) 3.522 2.470 ( -0.521 -0.545 -0.903) 1.176 2.600 ( 1.313 2.553 2.060) 3.533 2.787 ( -5.026 -8.940 -5.941) 11.852 4.504 ( 0.643 0.491 -5.845) 5.901 4.595 ( -0.281 0.431 -6.197) 6.218 5.306 ( 1.851 3.133 -1.449) 3.917 6.019 ( -0.921 -1.091 3.625) 3.896 6.757 ( -1.257 -0.311 1.808) 2.224 6.834 ( 0.641 -1.627 1.657) 2.409 7.020 ( -0.334 -0.526 2.376) 2.456 7.359 ( 5.527 7.225 1.606) 9.237 7.901 ( -3.235 -2.757 -3.191) 5.315 13.239 ( 1.555 2.469 0.971) 3.075 13.462 ( -0.095 2.666 2.366) 3.566 15.186 ( -2.563 -3.558 3.983) 5.923 15.806 ( 2.819 5.695 -1.775) 6.598 16.022 ( -0.048 -0.207 -0.131) 0.250 16.441 ( -1.378 -6.059 -7.838) 10.002 ======================= Grid point 113 (29/100) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 5.657 5.783 2.798) 8.560 1.312 ( -5.874 -2.612 1.970) 6.724 1.373 ( 0.568 -4.074 0.495) 4.143 1.440 ( 4.490 12.149 0.467) 12.961 1.700 ( -8.540 -1.328 4.339) 9.671 1.838 ( 2.621 -3.238 0.566) 4.204 2.254 ( 9.321 7.527 -0.620) 11.997 2.312 ( 0.150 3.753 -0.749) 3.830 2.406 ( -1.200 -0.416 -1.281) 1.804 2.459 ( 1.931 -2.242 -0.615) 3.022 2.589 ( -6.374 -7.207 -3.211) 10.143 2.635 ( 0.313 1.026 2.474) 2.696 4.516 ( -0.810 1.968 -5.957) 6.325 4.596 ( 0.862 -1.262 -6.260) 6.444 5.354 ( 0.442 1.837 -1.606) 2.480 6.002 ( -0.194 -0.379 3.480) 3.506 6.730 ( -1.870 1.601 1.951) 3.141 6.838 ( 2.691 -4.385 1.916) 5.490 7.012 ( -0.103 -0.278 2.232) 2.251 7.498 ( -0.497 9.092 0.773) 9.139 7.821 ( 0.248 -5.569 -1.941) 5.903 13.275 ( -2.223 5.449 1.334) 6.034 13.490 ( 3.580 -3.664 1.704) 5.398 15.129 ( -0.751 -1.560 3.328) 3.752 15.904 ( -1.865 10.331 -2.735) 10.849 16.019 ( -0.120 -0.067 -0.285) 0.316 16.351 ( 1.506 -9.923 -6.130) 11.761 ======================= Grid point 114 (30/100) ======================= q-point: (-0.56 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -7.117 -3.126 3.815) 8.659 1.302 ( 5.746 3.815 0.701) 6.933 1.374 ( 2.553 -1.767 0.627) 3.167 1.491 ( -12.174 -2.432 3.519) 12.903 1.632 ( 3.515 10.530 0.327) 11.106 1.861 ( 3.356 -3.335 2.059) 5.160 2.225 ( -11.626 -2.454 -1.885) 12.031 2.310 ( -4.593 2.334 -0.910) 5.232 2.435 ( 3.483 -0.844 -1.460) 3.870 2.455 ( -1.141 -3.262 0.923) 3.577 2.587 ( 9.682 2.106 -3.421) 10.482 2.636 ( -0.831 0.187 2.462) 2.605 4.514 ( -1.479 1.733 -6.037) 6.452 4.599 ( 0.934 -1.478 -6.172) 6.414 5.354 ( -1.837 0.550 -1.614) 2.507 6.003 ( 0.574 -0.103 3.534) 3.581 6.733 ( -0.145 2.467 2.076) 3.227 6.833 ( 1.889 -4.426 1.742) 5.118 7.012 ( 0.318 -0.069 2.228) 2.251 7.488 ( -8.451 5.421 0.293) 10.045 7.833 ( 5.659 -3.516 -1.431) 6.815 13.273 ( -3.639 4.548 1.307) 5.969 13.498 ( 2.232 -5.295 1.976) 6.077 15.131 ( 1.969 -0.266 3.422) 3.957 15.910 ( -7.753 6.753 -2.512) 10.584 16.018 ( 0.098 0.064 -0.325) 0.345 16.339 ( 6.694 -5.717 -6.610) 11.008 ======================= Grid point 122 (31/100) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.000 -0.000 3.349) 3.349 1.301 ( -1.228 -2.455 0.847) 2.873 1.301 ( 1.228 2.455 0.847) 2.873 1.595 ( -0.000 -0.000 4.764) 4.764 1.735 ( -2.977 -5.955 -0.049) 6.658 1.735 ( 2.977 5.955 -0.049) 6.658 2.356 ( -1.380 -2.759 -1.921) 3.634 2.356 ( 1.380 2.759 -1.921) 3.634 2.436 ( -0.643 -1.287 1.039) 1.775 2.436 ( 0.643 1.287 1.039) 1.775 2.449 ( 0.000 0.000 -4.196) 4.196 2.645 ( -0.000 -0.000 2.606) 2.606 4.560 ( -0.963 -1.926 -6.149) 6.515 4.560 ( 0.963 1.926 -6.149) 6.515 5.374 ( -0.000 -0.000 -1.744) 1.744 5.998 ( -0.000 -0.000 3.576) 3.576 6.770 ( -1.066 -2.131 2.038) 3.136 6.770 ( 1.066 2.131 2.038) 3.136 7.009 ( -0.000 -0.000 2.162) 2.162 7.678 ( -3.741 -7.482 -0.545) 8.383 7.678 ( 3.741 7.482 -0.545) 8.383 13.391 ( -2.549 -5.098 1.567) 5.911 13.391 ( 2.549 5.098 1.567) 5.911 15.112 ( -0.000 -0.000 3.195) 3.195 16.017 ( -0.000 -0.000 -0.339) 0.339 16.131 ( -5.008 -10.017 -4.448) 12.050 16.131 ( 5.008 10.017 -4.448) 12.050 ======================= Grid point 182 (32/100) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 0.000 14.760) 14.760 0.603 ( 0.000 -0.000 14.760) 14.760 0.990 ( 0.000 0.000 23.053) 23.053 1.620 ( 0.000 0.000 2.162) 2.162 1.868 ( 0.000 -0.000 -2.984) 2.984 1.868 ( 0.000 -0.000 -2.984) 2.984 2.222 ( 0.000 0.000 -0.921) 0.921 2.222 ( 0.000 -0.000 -0.921) 0.921 2.331 ( 0.000 0.000 4.325) 4.325 2.390 ( 0.000 0.000 -1.087) 1.087 2.390 ( 0.000 0.000 -1.087) 1.087 2.626 ( 0.000 0.000 -4.349) 4.349 4.369 ( 0.000 -0.000 -9.062) 9.062 4.369 ( 0.000 -0.000 -9.062) 9.062 5.058 ( 0.000 0.000 -1.720) 1.720 6.772 ( 0.000 0.000 -7.005) 7.005 6.856 ( -0.000 0.000 2.841) 2.841 6.856 ( -0.000 0.000 2.841) 2.841 6.971 ( -0.000 0.000 0.425) 0.425 6.971 ( 0.000 0.000 0.425) 0.425 7.455 ( 0.000 0.000 6.202) 6.202 13.196 ( 0.000 -0.000 2.066) 2.066 13.196 ( 0.000 0.000 2.066) 2.066 15.643 ( 0.000 -0.000 -1.424) 1.424 15.643 ( 0.000 0.000 -1.424) 1.424 16.025 ( 0.000 0.000 -0.124) 0.124 16.345 ( 0.000 0.000 -2.929) 2.929 ======================= Grid point 183 (33/100) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 3.327 1.921 11.935) 12.538 0.659 ( 2.452 1.416 15.019) 15.283 1.176 ( 13.997 8.081 17.867) 24.093 1.582 ( -2.809 -1.622 1.593) 3.613 1.839 ( 0.031 0.018 -3.106) 3.107 1.911 ( 0.921 0.532 -1.219) 1.618 2.229 ( -0.762 -0.440 -0.248) 0.914 2.230 ( -3.077 -1.776 3.128) 4.734 2.250 ( -3.779 -2.182 1.435) 4.593 2.317 ( 0.284 0.164 0.944) 1.000 2.423 ( 3.430 1.980 1.203) 4.139 2.750 ( 5.105 2.947 -10.872) 12.367 4.369 ( -0.339 -0.196 -9.058) 9.067 4.374 ( 0.692 0.399 -9.167) 9.201 5.084 ( 2.103 1.214 -1.762) 3.000 6.432 ( -14.047 -8.110 3.061) 16.506 6.829 ( -1.707 -0.986 2.694) 3.338 6.905 ( 3.055 1.764 2.267) 4.193 6.992 ( 1.294 0.747 0.543) 1.589 7.198 ( 6.332 3.656 1.999) 7.579 7.561 ( 7.564 4.367 -4.390) 9.776 13.186 ( -0.441 -0.255 2.009) 2.072 13.257 ( 4.196 2.423 2.366) 5.392 15.592 ( -4.222 -2.437 2.757) 5.601 15.648 ( 0.195 0.112 -1.389) 1.407 16.031 ( 0.232 0.134 -0.352) 0.443 16.340 ( 0.527 0.305 -7.451) 7.476 ======================= Grid point 184 (34/100) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 7.187 4.150 7.104) 10.925 0.762 ( 6.428 3.711 10.384) 12.764 1.504 ( -1.150 -0.664 0.860) 1.582 1.558 ( 14.601 8.430 11.312) 20.303 1.832 ( -1.829 -1.056 -1.159) 2.409 1.898 ( -2.234 -1.290 1.312) 2.894 2.057 ( -5.210 -3.008 6.750) 9.041 2.204 ( -0.720 -0.415 0.318) 0.890 2.315 ( 3.671 2.119 -0.651) 4.289 2.358 ( 2.502 1.444 -1.697) 3.350 2.518 ( 4.306 2.486 2.548) 5.587 2.790 ( -1.628 -0.940 -12.271) 12.414 4.354 ( -0.929 -0.536 -9.178) 9.240 4.400 ( 1.421 0.820 -9.265) 9.409 5.151 ( 3.343 1.930 -1.877) 4.292 6.199 ( -6.213 -3.587 4.343) 8.386 6.786 ( -1.781 -1.028 2.707) 3.400 6.986 ( 3.414 1.971 1.958) 4.401 7.023 ( 1.206 0.696 0.501) 1.480 7.276 ( 1.733 1.001 7.422) 7.687 7.714 ( 4.691 2.708 -9.254) 10.723 13.177 ( -0.338 -0.195 2.002) 2.040 13.377 ( 5.876 3.393 3.007) 7.422 15.464 ( -6.094 -3.518 6.157) 9.351 15.651 ( 0.080 0.046 -1.385) 1.388 16.029 ( -0.340 -0.196 -0.169) 0.427 16.368 ( 1.259 0.727 -12.245) 12.331 ======================= Grid point 185 (35/100) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 8.487 4.900 3.134) 10.289 0.951 ( 9.262 5.348 5.140) 11.866 1.438 ( -2.703 -1.561 0.005) 3.122 1.720 ( -6.378 -3.683 2.999) 7.953 1.807 ( -5.272 -3.044 3.778) 7.165 1.905 ( 9.770 5.641 7.198) 13.382 2.036 ( 4.942 2.853 4.142) 7.051 2.200 ( 0.140 0.081 0.153) 0.222 2.396 ( 2.718 1.569 -1.529) 3.491 2.416 ( 2.302 1.329 -2.946) 3.967 2.615 ( 3.703 2.138 3.575) 5.574 2.690 ( -6.370 -3.678 -9.745) 12.209 4.329 ( -1.097 -0.633 -9.402) 9.487 4.436 ( 1.490 0.860 -9.427) 9.583 5.229 ( 3.033 1.751 -2.023) 4.044 6.107 ( -2.137 -1.234 3.888) 4.605 6.749 ( -1.258 -0.726 2.800) 3.155 7.046 ( 0.765 0.442 0.406) 0.972 7.050 ( 1.929 1.114 2.497) 3.346 7.304 ( 0.656 0.379 6.357) 6.402 7.794 ( 2.544 1.469 -6.679) 7.297 13.172 ( -0.070 -0.040 2.053) 2.054 13.525 ( 6.365 3.675 2.860) 7.886 15.328 ( -5.033 -2.906 5.950) 8.317 15.651 ( -0.080 -0.046 -1.415) 1.418 16.019 ( -0.420 -0.243 -0.321) 0.581 16.381 ( -0.302 -0.174 -12.572) 12.577 ======================= Grid point 186 (36/100) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 8.042 4.643 0.542) 9.302 1.180 ( 9.781 5.647 2.257) 11.517 1.384 ( -2.168 -1.251 1.468) 2.901 1.561 ( -6.437 -3.717 3.554) 8.239 1.660 ( -6.917 -3.994 5.554) 9.728 1.982 ( 1.137 0.656 5.337) 5.496 2.200 ( -0.264 -0.153 0.063) 0.312 2.282 ( 10.643 6.145 0.576) 12.303 2.387 ( -5.486 -3.168 -5.534) 8.412 2.462 ( 1.529 0.883 -3.157) 3.617 2.549 ( -3.091 -1.785 -2.256) 4.222 2.679 ( 1.510 0.872 4.086) 4.442 4.307 ( -0.651 -0.376 -9.625) 9.654 4.464 ( 0.844 0.487 -9.629) 9.678 5.281 ( 1.185 0.684 -2.127) 2.529 6.082 ( -0.229 -0.132 3.810) 3.819 6.730 ( -0.337 -0.195 2.885) 2.911 7.058 ( 0.239 0.138 0.348) 0.444 7.077 ( 0.446 0.258 3.594) 3.630 7.297 ( -1.406 -0.812 3.559) 3.912 7.851 ( 2.392 1.381 -3.868) 4.753 13.174 ( 0.235 0.135 2.136) 2.153 13.654 ( 3.975 2.295 2.431) 5.193 15.246 ( -1.525 -0.880 5.396) 5.676 15.648 ( -0.198 -0.114 -1.465) 1.483 16.011 ( -0.257 -0.149 -0.541) 0.618 16.355 ( -1.816 -1.048 -12.030) 12.211 ======================= Grid point 187 (37/100) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 2.318 1.338 1.498) 3.067 1.280 ( -7.512 -4.337 4.875) 9.950 1.399 ( 8.599 4.964 1.249) 10.007 1.475 ( -0.160 -0.092 1.508) 1.519 1.513 ( -3.491 -2.015 4.414) 5.977 2.014 ( 1.520 0.878 5.546) 5.817 2.135 ( -12.454 -7.190 -3.814) 14.878 2.187 ( -0.750 -0.433 0.017) 0.867 2.471 ( 1.400 0.808 -1.245) 2.040 2.485 ( 0.361 0.208 -2.703) 2.735 2.559 ( 5.004 2.889 -2.544) 6.313 2.681 ( -1.368 -0.790 4.079) 4.374 4.301 ( 0.158 0.091 -9.691) 9.693 4.472 ( -0.214 -0.123 -9.739) 9.742 5.280 ( -1.280 -0.739 -2.125) 2.588 6.091 ( 0.976 0.564 3.885) 4.045 6.734 ( 0.696 0.402 2.912) 3.021 7.057 ( -0.303 -0.175 0.346) 0.492 7.071 ( -1.105 -0.638 3.801) 4.009 7.248 ( -2.266 -1.309 2.922) 3.922 7.898 ( 1.335 0.771 -3.383) 3.718 13.182 ( 0.424 0.245 2.210) 2.264 13.689 ( -1.309 -0.756 2.228) 2.692 15.269 ( 3.539 2.043 5.862) 7.146 15.643 ( -0.214 -0.124 -1.512) 1.532 16.009 ( 0.092 0.053 -0.653) 0.662 16.303 ( -2.376 -1.372 -12.276) 12.578 ======================= Grid point 188 (38/100) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -10.275 -5.932 5.325) 13.005 1.165 ( -8.752 -5.053 8.541) 13.232 1.500 ( 1.763 1.018 1.571) 2.571 1.567 ( 5.450 3.146 -2.211) 6.670 1.583 ( 5.690 3.285 2.167) 6.918 1.807 ( -12.436 -7.180 2.197) 14.527 2.083 ( 2.654 1.532 5.902) 6.651 2.170 ( -0.564 -0.326 0.096) 0.658 2.429 ( -3.163 -1.826 -0.405) 3.675 2.475 ( -1.341 -0.774 -1.572) 2.206 2.622 ( -3.308 -1.910 3.327) 5.065 2.689 ( 4.430 2.558 -8.524) 9.941 4.313 ( 0.802 0.463 -9.567) 9.612 4.455 ( -1.176 -0.679 -9.675) 9.770 5.227 ( -3.035 -1.752 -2.018) 4.044 6.130 ( 2.519 1.455 3.989) 4.937 6.760 ( 1.464 0.845 2.871) 3.332 7.017 ( -3.376 -1.949 2.687) 4.735 7.044 ( -0.844 -0.487 0.398) 1.053 7.213 ( -0.509 -0.294 4.892) 4.927 7.899 ( -1.587 -0.916 -5.258) 5.568 13.192 ( 0.410 0.236 2.240) 2.290 13.597 ( -6.094 -3.518 2.055) 7.331 15.396 ( 6.505 3.755 7.297) 10.472 15.639 ( -0.131 -0.076 -1.532) 1.540 16.017 ( 0.617 0.356 -0.397) 0.815 16.253 ( -1.617 -0.934 -13.320) 13.451 ======================= Grid point 189 (39/100) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -10.505 -6.065 6.475) 13.750 0.942 ( -9.629 -5.560 11.369) 15.903 1.419 ( -13.213 -7.629 10.750) 18.664 1.547 ( 1.686 0.974 2.100) 2.864 1.695 ( 4.998 2.885 -3.815) 6.918 1.806 ( 6.784 3.917 1.535) 7.983 2.129 ( 1.088 0.628 5.449) 5.592 2.167 ( 0.431 0.249 0.152) 0.520 2.353 ( -2.951 -1.704 0.382) 3.429 2.421 ( -3.026 -1.747 0.735) 3.570 2.540 ( -3.476 -2.007 1.431) 4.262 2.754 ( 0.964 0.556 -12.362) 12.412 4.335 ( 0.984 0.568 -9.360) 9.429 4.421 ( -1.564 -0.903 -9.444) 9.615 5.149 ( -3.281 -1.894 -1.873) 4.226 6.225 ( 6.035 3.485 4.254) 8.165 6.800 ( 1.790 1.034 2.798) 3.479 6.931 ( -3.485 -2.012 2.395) 4.684 7.018 ( -1.290 -0.745 0.476) 1.564 7.213 ( 0.079 0.046 5.934) 5.935 7.808 ( -6.438 -3.717 -8.025) 10.939 13.200 ( 0.207 0.119 2.215) 2.227 13.426 ( -7.787 -4.496 1.685) 9.148 15.540 ( 5.068 2.926 7.157) 9.245 15.637 ( 0.004 0.002 -1.517) 1.517 16.033 ( 0.463 0.267 0.116) 0.547 16.244 ( 1.243 0.718 -12.580) 12.662 ======================= Grid point 190 (40/100) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -5.129 -2.961 11.412) 12.857 0.732 ( -7.684 -4.436 13.767) 16.378 1.132 ( -10.209 -5.894 18.704) 22.109 1.592 ( 1.888 1.090 2.135) 3.052 1.797 ( 3.618 2.089 -3.951) 5.750 1.911 ( 0.458 0.264 -0.885) 1.031 2.191 ( 1.457 0.841 -0.285) 1.707 2.196 ( 5.971 3.447 3.328) 7.655 2.294 ( -1.692 -0.977 0.991) 2.191 2.352 ( -2.273 -1.312 2.921) 3.927 2.460 ( -3.354 -1.937 -0.124) 3.875 2.724 ( -3.746 -2.163 -11.091) 11.905 4.356 ( 0.770 0.445 -9.174) 9.217 4.388 ( -1.192 -0.688 -9.151) 9.254 5.084 ( -2.068 -1.194 -1.760) 2.967 6.448 ( 13.444 7.762 2.741) 15.764 6.840 ( 1.448 0.836 2.796) 3.258 6.868 ( -1.676 -0.968 2.648) 3.280 6.987 ( -1.250 -0.722 0.482) 1.522 7.183 ( -4.267 -2.463 2.431) 5.494 7.595 ( -10.534 -6.082 -4.937) 13.127 13.201 ( -0.086 -0.050 2.147) 2.149 13.260 ( -5.560 -3.210 1.686) 6.638 15.621 ( 1.974 1.140 2.519) 3.397 15.639 ( 0.134 0.077 -1.475) 1.483 16.032 ( -0.388 -0.224 -0.390) 0.594 16.305 ( 3.080 1.778 -6.672) 7.560 ======================= Grid point 192 (41/100) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 3.451 9.496 8.055) 12.922 0.797 ( -1.991 10.618 11.646) 15.885 1.395 ( 12.503 12.457 13.111) 21.986 1.541 ( -2.485 -2.204 1.198) 3.530 1.784 ( 2.356 -5.064 -2.437) 6.094 1.877 ( 0.229 -4.987 0.686) 5.040 2.112 ( -3.347 -2.769 5.477) 6.991 2.219 ( 3.401 -1.243 -0.256) 3.630 2.280 ( -3.235 3.063 0.946) 4.554 2.386 ( 0.066 4.269 -0.003) 4.270 2.502 ( 1.302 4.486 1.718) 4.977 2.778 ( 1.475 -0.649 -12.572) 12.675 4.352 ( 0.392 -0.951 -9.233) 9.290 4.400 ( -0.151 1.553 -9.287) 9.417 5.130 ( 1.860 3.119 -1.850) 4.075 6.256 ( -5.369 -7.266 4.323) 10.015 6.834 ( -2.659 0.701 2.627) 3.803 6.880 ( 3.704 -1.787 2.124) 4.628 7.036 ( 1.853 2.468 0.993) 3.242 7.242 ( 3.066 0.831 5.892) 6.694 7.722 ( 0.883 8.461 -8.678) 12.152 13.201 ( -0.398 1.078 1.852) 2.179 13.347 ( 1.827 6.312 2.535) 7.043 15.525 ( -5.320 -4.280 5.659) 8.868 15.658 ( 0.709 0.931 -1.261) 1.720 16.033 ( -0.243 -0.081 -0.118) 0.282 16.305 ( 3.414 -3.054 -11.256) 12.153 ======================= Grid point 193 (42/100) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 3.924 7.532 8.425) 11.963 0.937 ( 3.516 13.780 3.320) 14.604 1.467 ( -2.738 -2.146 0.001) 3.479 1.686 ( 0.531 -7.489 2.901) 8.049 1.776 ( 10.876 8.432 7.623) 15.732 1.876 ( 2.116 -1.430 -0.028) 2.554 2.015 ( -4.249 -1.770 6.207) 7.727 2.228 ( -1.245 1.778 -0.069) 2.171 2.325 ( 4.001 1.304 -0.566) 4.246 2.426 ( 0.224 2.719 -1.542) 3.134 2.587 ( 2.839 3.859 3.252) 5.790 2.737 ( -3.186 -3.922 -11.114) 12.208 4.344 ( -0.607 -0.239 -9.359) 9.382 4.419 ( 0.892 0.840 -9.417) 9.497 5.204 ( 2.576 3.072 -2.024) 4.491 6.136 ( -2.916 -2.429 4.060) 5.557 6.788 ( -3.022 0.913 2.673) 4.136 6.934 ( 4.957 -3.645 1.709) 6.386 7.076 ( 0.262 1.455 2.250) 2.693 7.313 ( 2.499 3.221 5.628) 6.949 7.786 ( 0.097 3.157 -7.440) 8.083 13.207 ( -1.275 2.730 1.748) 3.483 13.454 ( 4.500 3.736 3.167) 6.651 15.381 ( -5.206 -4.493 6.289) 9.318 15.679 ( -0.472 2.769 -1.710) 3.289 16.024 ( -0.413 -0.278 -0.181) 0.530 16.332 ( 2.921 -3.786 -12.550) 13.430 ======================= Grid point 194 (43/100) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 6.340 6.350 4.117) 9.872 1.154 ( 4.852 13.284 1.111) 14.186 1.404 ( -1.981 -1.738 0.517) 2.685 1.551 ( -2.936 -9.271 3.334) 10.280 1.818 ( -8.835 0.929 4.268) 9.856 1.938 ( 3.031 -2.194 4.675) 5.988 2.129 ( 12.236 5.894 2.773) 13.862 2.233 ( -0.905 2.904 -0.011) 3.041 2.386 ( 1.321 -1.190 -2.494) 3.063 2.452 ( 0.957 0.573 -2.144) 2.416 2.604 ( -5.605 -4.059 -6.639) 9.591 2.665 ( 1.759 2.342 3.796) 4.795 4.328 ( -1.296 0.664 -9.569) 9.679 4.444 ( 1.405 -0.106 -9.581) 9.684 5.271 ( 1.655 2.182 -2.203) 3.515 6.089 ( -0.948 -0.555 3.882) 4.035 6.753 ( -1.889 0.912 2.820) 3.514 6.973 ( 4.130 -4.531 1.519) 6.316 7.081 ( -0.203 -0.060 3.427) 3.433 7.375 ( -1.506 5.956 3.249) 6.950 7.812 ( 1.735 -0.202 -4.702) 5.016 13.211 ( -1.888 3.698 1.986) 4.603 13.571 ( 5.849 0.412 2.776) 6.488 15.267 ( -2.986 -2.871 5.543) 6.919 15.697 ( -1.826 4.608 -2.136) 5.397 16.015 ( -0.362 -0.218 -0.429) 0.602 16.324 ( 1.415 -5.157 -11.701) 12.865 ======================= Grid point 195 (44/100) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 6.716 4.867 0.768) 8.329 1.319 ( -2.774 -2.380 5.562) 6.655 1.371 ( 1.840 7.277 -0.577) 7.528 1.448 ( 0.961 -2.294 1.591) 2.953 1.640 ( -10.067 -1.047 5.328) 11.438 1.973 ( 3.185 -1.395 4.599) 5.766 2.215 ( -2.521 0.772 -0.786) 2.752 2.275 ( -8.348 -3.922 -4.411) 10.223 2.395 ( 8.132 3.087 -0.607) 8.719 2.477 ( 1.602 0.559 -3.215) 3.635 2.521 ( -0.211 -1.548 -0.333) 1.598 2.696 ( -0.269 0.658 4.143) 4.204 4.317 ( -1.052 1.283 -9.703) 9.843 4.461 ( 0.887 -0.864 -9.723) 9.801 5.297 ( -0.527 0.815 -2.279) 2.477 6.083 ( 0.317 0.130 3.939) 3.954 6.743 ( -0.539 1.438 2.904) 3.285 6.983 ( 2.659 -5.600 1.587) 6.399 7.077 ( 0.109 -0.222 3.799) 3.807 7.370 ( -5.836 6.187 1.544) 8.644 7.850 ( 3.320 -1.582 -2.984) 4.736 13.216 ( -1.915 3.770 2.156) 4.746 13.645 ( 3.435 -3.211 2.425) 5.290 15.231 ( 1.189 -0.581 5.336) 5.498 15.707 ( -3.066 5.687 -2.316) 6.863 16.008 ( -0.098 -0.097 -0.625) 0.640 16.285 ( 0.642 -5.356 -11.278) 12.501 ======================= Grid point 197 (45/100) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -7.490 -6.409 6.475) 11.794 1.315 ( -9.070 0.056 3.116) 9.591 1.423 ( 5.912 -0.568 0.847) 5.999 1.481 ( 1.905 0.528 2.221) 2.973 1.605 ( 3.125 8.711 0.075) 9.255 1.996 ( -12.666 -2.891 0.923) 13.024 2.029 ( 2.479 -1.902 4.590) 5.553 2.208 ( -2.365 2.215 -0.198) 3.246 2.447 ( -1.511 -2.710 -0.540) 3.150 2.473 ( 0.240 -1.372 -1.512) 2.056 2.614 ( 6.347 2.046 -5.823) 8.853 2.669 ( -2.603 -0.264 3.550) 4.410 4.319 ( -0.335 1.456 -9.649) 9.764 4.456 ( -0.105 -1.322 -9.725) 9.815 5.269 ( -2.780 -0.307 -2.200) 3.558 6.101 ( 1.573 0.296 3.967) 4.277 6.763 ( 0.486 2.417 2.856) 3.773 6.954 ( 1.066 -6.260 1.859) 6.617 7.080 ( 0.018 0.235 3.356) 3.364 7.314 ( -6.547 5.236 2.198) 8.666 7.879 ( 1.775 -2.454 -3.850) 4.899 13.219 ( -1.674 3.047 2.132) 4.078 13.616 ( -1.465 -5.657 2.434) 6.331 15.295 ( 5.757 0.330 6.067) 8.370 15.702 ( -3.518 4.803 -2.015) 6.285 16.011 ( 0.379 0.263 -0.567) 0.731 16.250 ( 0.442 -2.926 -12.104) 12.460 ======================= Grid point 198 (46/100) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -9.262 -5.010 7.419) 12.881 1.061 ( -12.479 -6.452 6.321) 15.405 1.494 ( 3.452 -1.276 0.591) 3.727 1.592 ( 1.221 3.538 2.589) 4.551 1.712 ( -8.324 3.021 3.474) 9.512 1.761 ( 1.134 4.777 0.846) 4.982 2.079 ( 3.230 -1.974 5.781) 6.910 2.201 ( -1.258 2.960 0.010) 3.216 2.362 ( -2.862 -4.322 0.058) 5.184 2.453 ( -1.591 -1.264 -0.875) 2.212 2.593 ( -4.361 -0.983 3.012) 5.391 2.728 ( 3.806 1.353 -10.712) 11.448 4.333 ( 0.313 1.200 -9.455) 9.536 4.432 ( -0.961 -1.320 -9.554) 9.693 5.202 ( -3.950 -0.583 -2.021) 4.475 6.149 ( 3.897 0.159 4.088) 5.650 6.806 ( 0.888 3.284 2.691) 4.338 6.901 ( -0.040 -5.204 2.058) 5.596 7.073 ( -1.655 0.822 2.112) 2.806 7.263 ( -4.037 3.625 4.598) 7.112 7.848 ( -2.174 -3.608 -6.515) 7.758 13.217 ( -1.301 1.448 1.962) 2.764 13.494 ( -5.387 -5.301 2.506) 7.963 15.417 ( 7.624 -1.009 6.790) 10.259 15.682 ( -2.663 2.127 -1.469) 3.711 16.025 ( 0.626 0.270 -0.067) 0.685 16.252 ( 0.601 1.984 -13.099) 13.262 ======================= Grid point 203 (47/100) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 1.750 8.494 6.589) 10.891 1.246 ( 2.574 15.336 1.636) 15.637 1.419 ( -2.166 -2.838 -0.133) 3.573 1.507 ( -2.189 -7.824 2.700) 8.562 1.795 ( 6.734 -5.870 -0.028) 8.933 1.959 ( -3.149 1.714 5.349) 6.439 2.008 ( 6.711 6.590 3.926) 10.192 2.255 ( 2.195 1.148 -0.677) 2.568 2.381 ( -0.708 3.535 -0.188) 3.610 2.449 ( -0.817 -0.224 -1.075) 1.369 2.634 ( -2.593 -4.273 -6.216) 7.977 2.666 ( 0.807 1.827 2.073) 2.878 4.345 ( 0.665 0.232 -9.584) 9.610 4.431 ( -0.400 0.366 -9.645) 9.661 5.267 ( 1.717 2.875 -2.291) 4.057 6.100 ( -1.122 -1.161 3.996) 4.309 6.804 ( -1.414 -0.005 2.682) 3.032 6.875 ( 1.050 -1.413 2.271) 2.874 7.082 ( -0.194 -0.368 3.516) 3.540 7.401 ( 5.410 4.949 2.407) 7.717 7.820 ( -2.845 -0.015 -4.566) 5.380 13.267 ( 1.533 2.771 1.744) 3.615 13.519 ( -0.457 2.417 3.054) 3.921 15.288 ( -3.424 -4.288 5.805) 7.988 15.759 ( 1.898 4.652 -2.756) 5.731 16.017 ( -0.140 -0.413 -0.307) 0.533 16.239 ( 0.519 -4.677 -11.527) 12.451 ======================= Grid point 204 (48/100) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 3.966 6.076 3.689) 8.140 1.365 ( -3.180 -2.502 2.345) 4.677 1.388 ( -0.824 -5.515 1.638) 5.812 1.450 ( 2.941 14.359 0.362) 14.661 1.802 ( -9.727 -2.802 4.619) 11.127 1.856 ( 6.487 -5.204 1.654) 8.479 2.244 ( 6.257 5.079 -0.015) 8.058 2.293 ( 0.751 2.376 -1.350) 2.834 2.375 ( -3.240 0.401 -1.538) 3.609 2.438 ( 1.396 -1.252 -1.187) 2.219 2.526 ( -2.621 -3.894 -2.539) 5.336 2.703 ( 0.470 1.262 4.138) 4.351 4.354 ( -0.850 1.772 -9.722) 9.919 4.430 ( 0.854 -1.266 -9.736) 9.855 5.311 ( 0.466 1.562 -2.512) 2.995 6.082 ( -0.241 -0.179 4.089) 4.100 6.780 ( -1.716 1.703 2.856) 3.742 6.884 ( 2.476 -3.898 2.444) 5.225 7.073 ( -0.121 -0.409 3.685) 3.710 7.515 ( -0.915 7.290 0.772) 7.388 7.773 ( 0.878 -3.711 -2.676) 4.659 13.310 ( -1.953 5.662 2.058) 6.333 13.536 ( 3.204 -3.744 2.672) 5.606 15.218 ( -0.897 -1.846 5.165) 5.557 15.833 ( -1.566 8.296 -4.144) 9.405 16.011 ( -0.290 -0.160 -0.528) 0.623 16.186 ( 1.549 -7.954 -9.689) 12.631 ======================= Grid point 205 (49/100) ======================= q-point: (-0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -6.305 -4.333 5.407) 9.368 1.316 ( 4.985 4.015 0.627) 6.431 1.393 ( 2.534 -0.913 1.324) 3.001 1.557 ( -11.612 -3.078 2.439) 12.258 1.648 ( 2.598 10.019 0.921) 10.392 1.918 ( 5.844 -4.179 3.561) 8.019 2.194 ( -9.645 0.208 -0.893) 9.688 2.289 ( -3.862 2.155 -1.032) 4.541 2.407 ( 3.516 -0.971 -1.045) 3.794 2.462 ( -1.035 -2.876 -0.664) 3.128 2.514 ( 6.160 1.345 -2.866) 6.926 2.704 ( -1.226 0.173 4.117) 4.299 4.351 ( -1.375 1.701 -9.730) 9.973 4.434 ( 0.980 -1.478 -9.765) 9.925 5.311 ( -1.619 0.397 -2.512) 3.015 6.084 ( 0.513 -0.013 4.106) 4.138 6.785 ( -0.192 2.386 2.864) 3.733 6.877 ( 1.483 -4.019 2.483) 4.951 7.073 ( 0.412 -0.099 3.677) 3.702 7.496 ( -7.360 5.175 0.503) 9.011 7.793 ( 4.414 -3.423 -2.429) 6.091 13.309 ( -3.881 4.385 2.110) 6.224 13.546 ( 2.675 -5.128 2.607) 6.344 15.221 ( 2.506 -0.405 5.232) 5.815 15.841 ( -5.947 5.433 -4.075) 9.028 16.009 ( 0.212 0.215 -0.613) 0.684 16.168 ( 4.379 -4.519 -9.739) 11.595 ======================= Grid point 213 (50/100) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 -0.000 4.357) 4.357 1.325 ( -1.043 -2.086 1.524) 2.786 1.325 ( 1.043 2.086 1.524) 2.786 1.712 ( -0.000 -0.000 6.046) 6.046 1.730 ( -3.005 -6.009 -0.488) 6.736 1.730 ( 3.005 6.009 -0.488) 6.736 2.328 ( -1.549 -3.099 -0.714) 3.537 2.328 ( 1.549 3.099 -0.714) 3.537 2.349 ( -0.000 -0.000 -4.980) 4.980 2.451 ( -0.882 -1.763 0.522) 2.039 2.451 ( 0.882 1.763 0.522) 2.039 2.716 ( -0.000 -0.000 4.235) 4.235 4.395 ( -0.927 -1.854 -9.783) 10.000 4.395 ( 0.927 1.854 -9.783) 10.000 5.328 ( -0.000 -0.000 -2.672) 2.672 6.080 ( -0.000 -0.000 4.209) 4.209 6.821 ( -1.023 -2.046 2.833) 3.641 6.821 ( 1.023 2.046 2.833) 3.641 7.069 ( -0.000 -0.000 3.608) 3.608 7.662 ( -3.136 -6.271 -0.952) 7.076 7.662 ( 3.136 6.271 -0.952) 7.076 13.432 ( -2.702 -5.403 2.361) 6.486 13.432 ( 2.702 5.403 2.361) 6.486 15.198 ( -0.000 -0.000 4.996) 4.996 16.008 ( -0.000 -0.000 -0.527) 0.527 16.013 ( -3.884 -7.768 -6.930) 11.112 16.013 ( 3.884 7.768 -6.930) 11.112 ======================= Grid point 273 (51/100) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 -0.000 13.857) 13.857 0.890 ( 0.000 0.000 13.857) 13.857 1.423 ( 0.000 0.000 19.952) 19.952 1.666 ( 0.000 0.000 2.398) 2.398 1.790 ( 0.000 0.000 -4.934) 4.934 1.790 ( 0.000 0.000 -4.934) 4.934 2.218 ( -0.000 -0.000 0.589) 0.589 2.218 ( 0.000 0.000 0.589) 0.589 2.365 ( 0.000 -0.000 -1.294) 1.294 2.365 ( -0.000 0.000 -1.294) 1.294 2.420 ( 0.000 0.000 4.321) 4.321 2.513 ( 0.000 0.000 -6.944) 6.944 4.175 ( 0.000 0.000 -9.754) 9.754 4.175 ( -0.000 0.000 -9.754) 9.754 5.022 ( 0.000 0.000 -1.808) 1.808 6.650 ( 0.000 0.000 -5.079) 5.079 6.912 ( 0.000 0.000 2.604) 2.604 6.912 ( -0.000 0.000 2.604) 2.604 6.980 ( -0.000 -0.000 0.381) 0.381 6.980 ( 0.000 0.000 0.381) 0.381 7.561 ( 0.000 0.000 4.247) 4.247 13.239 ( 0.000 -0.000 2.079) 2.079 13.239 ( 0.000 0.000 2.079) 2.079 15.613 ( 0.000 0.000 -1.454) 1.454 15.613 ( 0.000 0.000 -1.454) 1.454 16.027 ( 0.000 0.000 0.340) 0.340 16.280 ( 0.000 0.000 -3.368) 3.368 ======================= Grid point 274 (52/100) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.347 0.200 12.234) 12.241 0.963 ( 2.107 1.216 14.938) 15.135 1.513 ( 6.429 3.712 13.468) 15.379 1.615 ( -2.111 -1.219 3.087) 3.934 1.774 ( 1.465 0.846 -2.930) 3.383 1.865 ( 2.771 1.600 -3.535) 4.768 2.231 ( 0.089 0.052 0.564) 0.574 2.241 ( 2.324 1.342 0.745) 2.785 2.291 ( -5.821 -3.361 0.326) 6.730 2.314 ( -1.533 -0.885 -0.674) 1.895 2.479 ( 3.928 2.268 3.597) 5.789 2.559 ( 1.975 1.140 -8.602) 8.899 4.174 ( -0.417 -0.241 -9.858) 9.870 4.181 ( 0.752 0.434 -9.601) 9.640 5.047 ( 2.023 1.168 -1.858) 2.985 6.453 ( -10.275 -5.932 -0.208) 11.867 6.882 ( -1.750 -1.011 2.480) 3.199 6.951 ( 2.774 1.602 2.171) 3.870 7.003 ( 1.325 0.765 0.527) 1.618 7.186 ( 11.265 6.504 -1.794) 13.131 7.559 ( -0.152 -0.088 2.233) 2.240 13.229 ( -0.421 -0.243 2.166) 2.220 13.301 ( 4.542 2.622 1.976) 5.605 15.616 ( -0.222 -0.128 0.103) 0.276 15.618 ( 0.182 0.105 -1.508) 1.522 16.024 ( -0.185 -0.107 -0.146) 0.259 16.223 ( -3.843 -2.219 -4.678) 6.448 ======================= Grid point 275 (53/100) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 3.537 2.042 8.844) 9.741 1.004 ( 2.062 1.191 13.262) 13.474 1.499 ( -3.373 -1.948 -1.343) 4.120 1.783 ( 7.230 4.174 5.633) 10.072 1.818 ( 5.246 3.029 4.478) 7.533 1.908 ( 0.504 0.291 -0.681) 0.896 2.152 ( -4.791 -2.766 2.564) 6.098 2.216 ( -0.808 -0.466 0.953) 1.334 2.314 ( 1.101 0.636 -2.133) 2.483 2.315 ( 3.202 1.849 0.621) 3.750 2.567 ( -1.299 -0.750 -9.718) 9.833 2.586 ( 4.862 2.807 3.730) 6.740 4.156 ( -1.073 -0.619 -9.993) 10.070 4.208 ( 1.419 0.820 -9.432) 9.574 5.111 ( 3.209 1.853 -1.996) 4.209 6.262 ( -5.768 -3.330 2.053) 6.969 6.840 ( -1.718 -0.992 2.529) 3.214 7.028 ( 3.492 2.016 2.068) 4.532 7.033 ( 1.124 0.649 0.469) 1.380 7.392 ( 4.863 2.808 3.793) 6.776 7.573 ( 2.334 1.348 -4.522) 5.265 13.220 ( -0.310 -0.179 2.229) 2.257 13.433 ( 6.262 3.615 2.360) 7.606 15.568 ( -4.137 -2.388 4.188) 6.352 15.621 ( 0.064 0.037 -1.545) 1.547 16.019 ( -0.270 -0.156 -0.968) 1.017 16.149 ( -1.798 -1.038 -8.995) 9.231 ======================= Grid point 276 (54/100) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 5.415 3.126 4.911) 7.951 1.082 ( 4.753 2.744 7.782) 9.522 1.431 ( -2.108 -1.217 -0.935) 2.608 1.756 ( -4.243 -2.450 0.656) 4.943 1.879 ( -2.929 -1.691 3.106) 4.592 2.058 ( 4.851 2.800 7.226) 9.142 2.111 ( 5.431 3.135 3.180) 7.031 2.210 ( 0.158 0.091 0.824) 0.844 2.347 ( 1.585 0.915 -3.623) 4.059 2.362 ( -0.248 -0.143 -2.258) 2.276 2.521 ( -1.508 -0.870 -5.932) 6.182 2.695 ( 4.113 2.375 4.036) 6.232 4.127 ( -1.277 -0.737 -10.157) 10.263 4.242 ( 1.352 0.781 -9.430) 9.558 5.186 ( 2.912 1.681 -2.154) 3.993 6.173 ( -2.131 -1.230 2.555) 3.547 6.805 ( -1.204 -0.695 2.586) 2.936 7.054 ( 0.699 0.404 0.380) 0.892 7.104 ( 2.716 1.568 2.559) 4.047 7.412 ( -1.649 -0.952 4.240) 4.648 7.677 ( 5.186 2.994 -4.690) 7.606 13.216 ( -0.048 -0.028 2.237) 2.238 13.583 ( 6.173 3.564 2.638) 7.600 15.445 ( -5.372 -3.101 5.557) 8.328 15.621 ( -0.091 -0.053 -1.548) 1.551 16.009 ( -0.542 -0.313 -0.880) 1.080 16.130 ( -0.345 -0.199 -11.503) 11.510 ======================= Grid point 277 (55/100) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 5.985 3.455 1.435) 7.058 1.224 ( 7.025 4.056 2.349) 8.445 1.405 ( -0.193 -0.111 0.597) 0.637 1.621 ( -6.604 -3.813 1.936) 7.868 1.778 ( -5.372 -3.102 6.035) 8.654 2.083 ( 0.901 0.520 4.188) 4.315 2.212 ( -0.171 -0.099 1.147) 1.164 2.247 ( -3.722 -2.149 -3.859) 5.776 2.345 ( 5.312 3.067 1.962) 6.439 2.385 ( 1.581 0.913 -4.381) 4.747 2.518 ( 0.365 0.211 -0.885) 0.981 2.766 ( 1.664 0.961 4.267) 4.680 4.102 ( -0.747 -0.431 -10.282) 10.318 4.267 ( 0.671 0.387 -9.586) 9.618 5.236 ( 1.144 0.661 -2.246) 2.606 6.148 ( -0.205 -0.118 2.633) 2.643 6.786 ( -0.327 -0.189 2.582) 2.610 7.065 ( 0.220 0.127 0.338) 0.423 7.151 ( 1.227 0.708 3.533) 3.806 7.355 ( -2.780 -1.605 2.162) 3.870 7.782 ( 3.465 2.000 -2.801) 4.884 13.218 ( 0.238 0.137 2.185) 2.202 13.703 ( 3.524 2.034 2.289) 4.668 15.354 ( -1.758 -1.015 5.051) 5.444 15.617 ( -0.199 -0.115 -1.512) 1.530 15.997 ( -0.506 -0.292 -1.153) 1.292 16.114 ( -1.256 -0.725 -10.989) 11.084 ======================= Grid point 278 (56/100) ======================= q-point: (-0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 4.801 2.772 -0.604) 5.577 1.349 ( -4.454 -2.572 2.242) 5.611 1.413 ( 6.177 3.566 -0.193) 7.135 1.512 ( -0.328 -0.189 1.860) 1.898 1.638 ( -6.076 -3.508 7.516) 10.282 2.070 ( -6.825 -3.940 -0.365) 7.889 2.132 ( 0.777 0.448 3.917) 4.019 2.201 ( -0.645 -0.372 1.417) 1.600 2.416 ( 0.902 0.521 -4.128) 4.257 2.462 ( 2.070 1.195 0.442) 2.431 2.516 ( 0.194 0.112 -1.801) 1.815 2.767 ( -1.555 -0.898 4.257) 4.620 4.096 ( 0.245 0.141 -10.228) 10.232 4.271 ( -0.283 -0.163 -9.751) 9.756 5.235 ( -1.218 -0.703 -2.224) 2.631 6.156 ( 0.899 0.519 2.518) 2.723 6.790 ( 0.658 0.380 2.524) 2.636 7.065 ( -0.273 -0.157 0.352) 0.473 7.150 ( -1.674 -0.966 3.748) 4.217 7.304 ( -1.028 -0.594 2.590) 2.849 7.829 ( 0.383 0.221 -3.288) 3.317 13.226 ( 0.407 0.235 2.096) 2.147 13.728 ( -1.704 -0.984 1.593) 2.532 15.382 ( 4.265 2.462 5.087) 7.080 15.612 ( -0.205 -0.118 -1.456) 1.475 15.986 ( -0.439 -0.253 -2.569) 2.618 16.073 ( -2.012 -1.161 -9.041) 9.334 ======================= Grid point 279 (57/100) ======================= q-point: (-0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -9.204 -5.314 4.300) 11.465 1.319 ( -3.110 -1.796 5.037) 6.187 1.538 ( 2.642 1.525 1.726) 3.505 1.549 ( 0.221 0.127 1.738) 1.757 1.608 ( 7.571 4.371 0.162) 8.744 1.876 ( -8.419 -4.861 4.865) 10.871 2.187 ( -0.451 -0.260 1.607) 1.689 2.187 ( 2.488 1.436 3.994) 4.919 2.424 ( -0.267 -0.154 -3.313) 3.327 2.427 ( -2.968 -1.714 -0.000) 3.427 2.539 ( 0.331 0.191 -5.973) 5.985 2.699 ( -3.994 -2.306 3.943) 6.068 4.111 ( 0.991 0.572 -10.006) 10.071 4.254 ( -1.095 -0.632 -9.804) 9.885 5.184 ( -2.913 -1.682 -2.110) 3.970 6.193 ( 2.376 1.372 2.225) 3.532 6.815 ( 1.392 0.804 2.435) 2.918 7.052 ( -0.767 -0.443 0.425) 0.982 7.078 ( -3.894 -2.248 3.065) 5.442 7.308 ( 0.833 0.481 4.411) 4.514 7.794 ( -3.433 -1.982 -4.980) 6.365 13.236 ( 0.382 0.221 2.013) 2.061 13.628 ( -6.354 -3.669 1.100) 7.419 15.532 ( 7.288 4.207 6.043) 10.360 15.608 ( -0.116 -0.067 -1.408) 1.414 15.977 ( 0.064 0.037 -7.633) 7.633 16.034 ( -0.991 -0.572 -3.982) 4.143 ======================= Grid point 280 (58/100) ======================= q-point: (-0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -7.077 -4.086 8.081) 11.493 1.175 ( -7.395 -4.270 11.291) 14.157 1.591 ( 2.062 1.190 2.528) 3.472 1.614 ( 3.836 2.215 -4.057) 6.006 1.653 ( -7.011 -4.048 11.242) 13.853 1.813 ( 5.619 3.244 -0.663) 6.522 2.184 ( 0.290 0.168 1.601) 1.635 2.208 ( -0.674 -0.389 2.410) 2.532 2.368 ( -2.138 -1.234 0.848) 2.610 2.405 ( -1.216 -0.702 -2.054) 2.488 2.532 ( -0.280 -0.162 -9.511) 9.516 2.593 ( -4.734 -2.733 3.362) 6.417 4.138 ( 1.142 0.659 -9.796) 9.885 4.224 ( -1.411 -0.815 -9.775) 9.910 5.110 ( -3.161 -1.825 -1.966) 4.146 6.281 ( 5.468 3.157 1.613) 6.517 6.853 ( 1.733 1.000 2.340) 3.078 6.987 ( -3.504 -2.023 2.893) 4.973 7.029 ( -1.210 -0.699 0.546) 1.500 7.313 ( -1.302 -0.751 3.895) 4.175 7.677 ( -5.889 -3.400 -5.004) 8.442 13.243 ( 0.183 0.106 1.978) 1.989 13.454 ( -7.722 -4.458 1.176) 8.994 15.607 ( 0.017 0.010 -1.389) 1.389 15.651 ( 1.641 0.947 3.850) 4.291 16.016 ( 1.041 0.601 -5.191) 5.328 16.046 ( 4.791 2.766 -3.455) 6.522 ======================= Grid point 281 (59/100) ======================= q-point: (-0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -1.243 -0.718 12.491) 12.573 1.008 ( -6.347 -3.665 13.415) 15.287 1.495 ( -5.476 -3.162 16.942) 18.084 1.638 ( 1.817 1.049 2.380) 3.173 1.704 ( 3.745 2.162 -5.236) 6.791 1.873 ( -1.705 -0.984 -2.973) 3.565 2.199 ( 0.845 0.488 1.167) 1.521 2.229 ( 2.534 1.463 0.857) 3.049 2.308 ( -1.644 -0.949 0.102) 1.901 2.378 ( -0.757 -0.437 -0.666) 1.099 2.486 ( -4.128 -2.384 2.892) 5.576 2.532 ( -0.281 -0.162 -8.470) 8.476 4.162 ( 0.844 0.487 -9.715) 9.764 4.193 ( -1.113 -0.642 -9.772) 9.856 5.046 ( -1.996 -1.152 -1.852) 2.957 6.462 ( 9.734 5.620 -0.535) 11.253 6.893 ( 1.559 0.900 2.345) 2.956 6.924 ( -1.698 -0.980 2.720) 3.352 6.998 ( -1.336 -0.771 0.592) 1.652 7.187 ( -9.823 -5.671 -1.175) 11.403 7.575 ( -1.936 -1.118 1.418) 2.648 13.244 ( -0.097 -0.056 2.005) 2.008 13.296 ( -5.054 -2.918 1.783) 6.103 15.609 ( 0.141 0.081 -1.408) 1.417 15.637 ( -1.545 -0.892 -0.404) 1.829 16.024 ( 0.197 0.114 -0.170) 0.284 16.203 ( 6.141 3.545 -3.965) 8.124 ======================= Grid point 283 (60/100) ======================= q-point: ( 0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 1.573 5.472 9.505) 11.080 1.056 ( -2.702 7.012 13.398) 15.361 1.541 ( -3.850 -1.744 -0.593) 4.268 1.665 ( 8.482 5.135 11.185) 14.947 1.741 ( 5.581 -1.813 -0.433) 5.884 1.871 ( 0.651 -3.562 -1.438) 3.896 2.183 ( -1.580 -1.578 1.968) 2.977 2.226 ( 2.417 -0.500 0.887) 2.623 2.301 ( -3.727 2.062 0.794) 4.332 2.368 ( -1.142 4.176 -1.297) 4.519 2.552 ( 1.455 -0.617 -8.332) 8.480 2.560 ( 2.228 4.177 2.084) 5.172 4.155 ( 0.307 -1.081 -9.815) 9.880 4.205 ( -0.018 1.405 -9.657) 9.759 5.091 ( 1.770 2.989 -1.947) 3.982 6.311 ( -4.566 -6.450 1.505) 8.045 6.887 ( -2.708 0.636 2.512) 3.748 6.921 ( 3.028 -1.725 1.773) 3.910 7.059 ( 2.334 3.058 1.239) 4.042 7.326 ( 5.037 4.121 2.176) 6.862 7.602 ( -0.912 5.029 -3.183) 6.021 13.241 ( -0.529 0.942 1.980) 2.256 13.392 ( 2.965 6.152 1.900) 7.089 15.596 ( -1.691 -1.515 1.012) 2.486 15.642 ( -0.995 1.257 0.224) 1.618 16.021 ( -0.077 -0.150 -1.218) 1.230 16.123 ( 0.129 -6.573 -6.561) 9.288 ======================= Grid point 284 (61/100) ======================= q-point: ( 0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.949 8.910 5.237) 10.748 1.082 ( -1.314 6.199 10.739) 12.469 1.457 ( -2.817 -2.105 -1.263) 3.736 1.723 ( 0.336 -7.138 1.118) 7.233 1.867 ( 3.876 -3.273 -0.939) 5.159 1.949 ( 10.979 7.095 8.623) 15.660 2.116 ( -4.393 -1.196 3.690) 5.860 2.234 ( -1.029 1.095 0.529) 1.593 2.316 ( 2.011 1.916 -0.468) 2.817 2.396 ( -0.763 3.362 -1.294) 3.683 2.529 ( -1.153 -2.333 -8.837) 9.212 2.662 ( 3.305 4.276 3.844) 6.633 4.144 ( -0.760 -0.378 -10.048) 10.084 4.224 ( 0.958 0.640 -9.491) 9.561 5.161 ( 2.465 2.874 -2.122) 4.340 6.200 ( -2.796 -2.387 2.388) 4.384 6.842 ( -2.880 0.853 2.521) 3.921 6.966 ( 4.333 -3.190 1.380) 5.555 7.119 ( 0.832 3.005 2.023) 3.717 7.418 ( 2.425 0.714 4.675) 5.314 7.652 ( 0.884 4.926 -5.769) 7.637 13.245 ( -0.993 2.419 1.985) 3.283 13.512 ( 4.762 3.788 2.506) 6.581 15.499 ( -4.894 -4.261 5.223) 8.330 15.645 ( -0.801 2.166 -1.544) 2.778 16.016 ( -0.466 -0.197 -1.125) 1.233 16.092 ( 2.042 -4.001 -10.369) 11.300 ======================= Grid point 285 (62/100) ======================= q-point: ( 0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.991 6.752 5.119) 8.531 1.184 ( 4.629 9.163 2.227) 10.504 1.409 ( -0.735 -0.894 -0.160) 1.168 1.618 ( -2.214 -8.639 3.008) 9.412 1.875 ( -3.381 -0.310 1.515) 3.718 2.034 ( 0.508 -4.045 3.896) 5.639 2.193 ( 8.230 3.704 3.569) 9.705 2.235 ( -0.444 1.670 -0.088) 1.730 2.334 ( -1.698 -0.008 -2.008) 2.630 2.404 ( -0.956 2.158 -2.525) 3.456 2.504 ( 0.658 -0.671 -2.780) 2.935 2.749 ( 2.180 2.569 4.151) 5.347 4.125 ( -1.417 0.575 -10.204) 10.318 4.247 ( 1.315 -0.299 -9.550) 9.645 5.225 ( 1.636 1.939 -2.293) 3.419 6.156 ( -0.928 -0.421 2.642) 2.832 6.808 ( -1.797 0.900 2.569) 3.262 7.001 ( 3.476 -3.620 1.180) 5.155 7.149 ( 0.313 0.981 3.163) 3.326 7.431 ( -2.813 3.163 2.166) 4.755 7.728 ( 3.634 1.429 -3.428) 5.196 13.253 ( -1.615 3.563 2.073) 4.427 13.627 ( 5.422 0.304 2.557) 6.002 15.379 ( -3.414 -3.239 5.284) 7.075 15.653 ( -1.452 3.264 -2.098) 4.143 16.003 ( -0.589 -0.366 -1.079) 1.283 16.088 ( 1.488 -3.625 -10.729) 11.422 ======================= Grid point 286 (63/100) ======================= q-point: ( 0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.463 4.659 1.086) 5.906 1.358 ( 3.609 7.720 -0.690) 8.550 1.406 ( -0.619 0.898 2.607) 2.826 1.494 ( -1.144 -5.765 2.977) 6.588 1.734 ( -8.646 -3.356 4.012) 10.105 2.055 ( 4.491 -2.819 2.792) 5.992 2.185 ( -5.822 -1.573 -1.396) 6.190 2.240 ( -2.543 1.891 0.833) 3.277 2.397 ( 4.531 2.153 -0.492) 5.040 2.418 ( 1.224 0.765 -1.334) 1.965 2.510 ( 0.232 -0.842 -0.597) 1.058 2.783 ( -0.290 0.633 4.283) 4.339 4.111 ( -1.064 1.318 -10.231) 10.370 4.260 ( 0.807 -0.980 -9.711) 9.794 5.250 ( -0.393 0.605 -2.352) 2.460 6.150 ( 0.221 0.265 2.666) 2.688 6.799 ( -0.553 1.411 2.547) 2.964 7.011 ( 2.161 -4.303 1.207) 4.965 7.156 ( 0.213 -0.320 3.803) 3.822 7.397 ( -5.196 4.798 1.093) 7.156 7.793 ( 3.022 -1.087 -2.597) 4.131 13.260 ( -1.869 3.739 2.107) 4.681 13.691 ( 2.982 -3.217 2.066) 4.849 15.338 ( 1.396 -0.631 4.925) 5.158 15.659 ( -2.142 4.125 -2.296) 5.184 15.989 ( -0.411 -0.572 -2.090) 2.205 16.066 ( 0.255 -3.464 -9.079) 9.721 ======================= Grid point 288 (64/100) ======================= q-point: (-0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -7.515 -4.463 4.550) 9.854 1.336 ( 0.487 1.459 -0.815) 1.741 1.474 ( 2.009 -2.683 3.984) 5.206 1.532 ( 1.120 2.528 2.602) 3.797 1.597 ( 0.769 3.744 -0.383) 3.841 2.028 ( -9.627 0.649 2.801) 10.047 2.125 ( 4.638 -1.317 3.877) 6.186 2.218 ( -2.078 1.653 1.294) 2.954 2.425 ( -0.145 -0.031 -3.203) 3.207 2.445 ( -0.698 -2.053 0.323) 2.192 2.514 ( 1.701 -0.592 -3.564) 3.993 2.751 ( -3.219 -0.608 4.100) 5.248 4.115 ( -0.205 1.558 -10.099) 10.220 4.255 ( -0.070 -1.292 -9.791) 9.876 5.223 ( -2.545 -0.420 -2.265) 3.433 6.167 ( 1.368 0.354 2.486) 2.859 6.817 ( 0.413 2.258 2.430) 3.343 6.989 ( 0.980 -5.308 1.559) 5.618 7.148 ( -1.281 0.323 3.218) 3.478 7.361 ( -3.996 4.698 2.444) 6.635 7.800 ( -0.112 -2.942 -3.855) 4.850 13.262 ( -1.707 2.865 2.018) 3.898 13.657 ( -1.881 -5.166 1.630) 5.734 15.412 ( 6.612 0.263 5.269) 8.459 15.661 ( -2.277 3.990 -1.920) 4.979 15.979 ( -0.013 -0.188 -5.420) 5.423 16.036 ( -0.316 -1.804 -5.775) 6.059 ======================= Grid point 289 (65/100) ======================= q-point: (-0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -9.191 -3.381 5.656) 11.309 1.225 ( -6.068 -7.379 9.294) 13.329 1.493 ( 4.301 -2.334 -0.767) 4.953 1.625 ( 3.163 5.180 1.421) 6.233 1.733 ( 4.548 6.822 -1.378) 8.314 1.857 ( -10.886 2.503 7.658) 13.544 2.175 ( 1.711 -1.798 3.619) 4.388 2.215 ( -0.077 1.974 1.238) 2.331 2.363 ( -2.401 -3.846 -0.250) 4.541 2.429 ( -1.238 -0.377 -1.194) 1.761 2.528 ( 0.941 -0.553 -8.644) 8.713 2.665 ( -5.257 -0.947 3.744) 6.523 4.133 ( 0.498 1.264 -9.918) 10.010 4.234 ( -0.845 -1.149 -9.737) 9.841 5.160 ( -3.722 -0.612 -2.099) 4.317 6.212 ( 3.675 0.241 2.178) 4.278 6.857 ( 0.846 3.048 2.258) 3.886 6.944 ( 0.142 -5.042 1.994) 5.423 7.114 ( -3.433 1.368 1.964) 4.185 7.354 ( -1.998 3.456 4.245) 5.827 7.726 ( -3.935 -4.283 -5.462) 7.979 13.257 ( -1.230 1.083 1.909) 2.516 13.535 ( -5.889 -4.198 1.613) 7.410 15.534 ( 6.525 -1.448 4.469) 8.040 15.659 ( -1.233 1.414 -0.393) 1.917 16.006 ( 1.853 3.294 -10.268) 10.942 16.023 ( 0.256 -0.332 -0.857) 0.954 ======================= Grid point 294 (66/100) ======================= q-point: ( 0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 1.072 7.114 6.291) 9.557 1.282 ( -0.962 11.763 2.494) 12.062 1.414 ( -1.784 -1.586 -0.041) 2.387 1.566 ( -1.370 -6.896 3.027) 7.655 1.774 ( 7.646 -5.881 -2.117) 9.875 2.073 ( -6.200 -3.497 3.669) 8.008 2.087 ( 8.713 6.207 5.135) 11.867 2.248 ( 1.328 0.923 0.018) 1.617 2.378 ( -1.431 3.419 -0.210) 3.712 2.432 ( -0.637 -0.073 -0.539) 0.837 2.498 ( -0.991 -0.612 -5.471) 5.594 2.743 ( 1.837 3.365 4.027) 5.560 4.142 ( 0.556 0.129 -10.073) 10.089 4.232 ( -0.329 0.148 -9.689) 9.695 5.219 ( 1.557 2.621 -2.334) 3.839 6.167 ( -0.988 -0.994 2.574) 2.931 6.857 ( -1.213 -0.029 2.405) 2.693 6.918 ( 0.873 -0.935 1.896) 2.288 7.151 ( 0.221 0.376 3.201) 3.231 7.449 ( 4.589 2.437 2.338) 5.698 7.730 ( -2.008 2.275 -4.172) 5.159 13.304 ( 1.466 2.958 1.837) 3.778 13.575 ( 0.025 2.090 2.371) 3.161 15.403 ( -3.835 -4.746 5.330) 8.102 15.703 ( 0.869 3.291 -2.553) 4.255 16.008 ( 1.641 -2.860 -5.075) 6.052 16.013 ( -0.499 -0.944 -5.966) 6.061 ======================= Grid point 295 (67/100) ======================= q-point: ( 0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.598 5.212 4.261) 6.758 1.373 ( 1.474 0.923 -0.535) 1.820 1.447 ( 1.286 0.547 1.672) 2.179 1.467 ( -2.441 4.995 2.886) 6.264 1.828 ( -1.006 -4.363 -0.855) 4.558 1.919 ( -0.010 -6.841 2.380) 7.244 2.258 ( -1.268 1.304 -1.219) 2.190 2.261 ( 3.457 3.185 1.665) 4.987 2.372 ( -0.941 1.458 1.245) 2.135 2.419 ( -0.252 0.336 -0.690) 0.808 2.493 ( 0.569 -0.769 -0.950) 1.348 2.790 ( 0.587 1.389 4.251) 4.511 4.150 ( -0.897 1.788 -10.127) 10.323 4.229 ( 0.833 -1.441 -9.759) 9.900 5.259 ( 0.472 1.309 -2.528) 2.886 6.152 ( -0.228 0.008 2.784) 2.793 6.836 ( -1.612 1.691 2.522) 3.438 6.929 ( 2.231 -3.209 1.984) 4.383 7.149 ( -0.027 -0.433 3.627) 3.653 7.526 ( -1.574 5.549 0.323) 5.777 7.722 ( 1.717 -2.146 -2.288) 3.577 13.352 ( -1.692 5.807 1.994) 6.369 13.588 ( 2.882 -3.985 2.366) 5.458 15.322 ( -1.060 -2.123 4.938) 5.479 15.749 ( -1.304 5.826 -3.958) 7.163 15.982 ( -0.028 -3.652 -7.130) 8.011 16.007 ( 1.148 -2.000 -2.675) 3.532 ======================= Grid point 296 (68/100) ======================= q-point: (-0.56 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -1.642 0.508 2.434) 2.980 1.330 ( -1.093 -1.751 3.036) 3.671 1.427 ( 3.163 0.371 2.034) 3.778 1.591 ( -5.945 0.264 1.314) 6.095 1.647 ( -1.874 4.553 -1.099) 5.045 1.981 ( 8.147 -4.258 1.681) 9.346 2.197 ( -6.636 2.527 1.382) 7.234 2.279 ( -2.523 1.113 0.406) 2.787 2.403 ( 2.899 -1.465 0.658) 3.314 2.429 ( -0.394 0.398 -1.617) 1.711 2.489 ( 0.498 -0.840 -0.409) 1.059 2.791 ( -1.436 0.154 4.238) 4.477 4.147 ( -1.342 1.753 -10.085) 10.324 4.232 ( 1.036 -1.503 -9.826) 9.994 5.259 ( -1.396 0.260 -2.523) 2.895 6.154 ( 0.333 0.074 2.760) 2.781 6.840 ( -0.296 2.272 2.455) 3.358 6.924 ( 1.197 -3.518 2.096) 4.266 7.149 ( 0.399 -0.200 3.641) 3.668 7.506 ( -5.787 4.845 0.425) 7.559 7.743 ( 2.821 -3.288 -2.424) 4.964 13.352 ( -4.062 4.246 2.039) 6.220 13.595 ( 2.716 -4.844 2.158) 5.958 15.326 ( 2.916 -0.455 4.936) 5.751 15.758 ( -3.854 3.977 -4.004) 6.834 15.962 ( 1.670 -1.745 -7.623) 7.997 16.009 ( 0.869 -1.265 -2.006) 2.525 ======================= Grid point 304 (69/100) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 -0.000 4.204) 4.204 1.361 ( -0.837 -1.673 2.044) 2.771 1.361 ( 0.837 1.673 2.044) 2.771 1.715 ( -2.782 -5.564 -1.057) 6.309 1.715 ( 2.782 5.563 -1.057) 6.309 1.795 ( 0.000 0.000 1.481) 1.481 2.283 ( 0.000 0.000 -1.023) 1.023 2.330 ( -1.629 -3.259 0.879) 3.748 2.330 ( 1.629 3.259 0.879) 3.748 2.461 ( -0.970 -1.941 0.469) 2.220 2.461 ( 0.970 1.941 0.469) 2.220 2.804 ( -0.000 -0.000 4.301) 4.301 4.192 ( -0.963 -1.927 -9.960) 10.190 4.192 ( 0.963 1.927 -9.960) 10.190 5.273 ( -0.000 -0.000 -2.654) 2.654 6.153 ( -0.000 -0.000 2.874) 2.874 6.875 ( -0.945 -1.891 2.413) 3.208 6.875 ( 0.945 1.891 2.413) 3.208 7.143 ( -0.000 -0.000 3.590) 3.590 7.642 ( -2.479 -4.958 -1.029) 5.638 7.642 ( 2.479 4.958 -1.029) 5.638 13.478 ( -2.818 -5.636 2.155) 6.659 13.478 ( 2.818 5.636 2.155) 6.659 15.299 ( -0.000 -0.000 4.798) 4.798 15.873 ( -2.592 -5.183 -6.623) 8.801 15.873 ( 2.592 5.183 -6.623) 8.801 15.998 ( -0.000 -0.000 -0.503) 0.503 ======================= Grid point 364 (70/100) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 0.000 11.225) 11.225 1.146 ( 0.000 0.000 11.225) 11.225 1.673 ( 0.000 0.000 -6.351) 6.351 1.673 ( 0.000 0.000 -6.351) 6.351 1.687 ( 0.000 0.000 2.442) 2.442 1.809 ( 0.000 0.000 15.590) 15.590 2.241 ( 0.000 -0.000 1.331) 1.331 2.241 ( 0.000 0.000 1.331) 1.331 2.343 ( 0.000 -0.000 -0.879) 0.879 2.343 ( 0.000 -0.000 -0.879) 0.879 2.346 ( 0.000 0.000 -9.837) 9.837 2.493 ( 0.000 0.000 2.678) 2.678 4.005 ( 0.000 0.000 -6.594) 6.594 4.005 ( 0.000 0.000 -6.594) 6.594 4.991 ( 0.000 0.000 -1.166) 1.166 6.572 ( -0.000 -0.000 -2.630) 2.630 6.955 ( 0.000 -0.000 1.517) 1.517 6.955 ( -0.000 0.000 1.517) 1.517 6.986 ( 0.000 -0.000 0.209) 0.209 6.986 ( 0.000 0.000 0.209) 0.209 7.624 ( 0.000 0.000 2.101) 2.101 13.274 ( 0.000 -0.000 1.293) 1.293 13.274 ( 0.000 0.000 1.293) 1.293 15.589 ( 0.000 0.000 -0.915) 0.915 15.589 ( 0.000 0.000 -0.915) 0.915 16.039 ( 0.000 0.000 0.755) 0.755 16.218 ( 0.000 0.000 -2.613) 2.613 ======================= Grid point 365 (71/100) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -1.312 -0.757 11.033) 11.136 1.238 ( 3.347 1.933 11.526) 12.157 1.541 ( -5.265 -3.040 -3.709) 7.122 1.739 ( 1.933 1.116 -0.325) 2.255 1.765 ( 4.026 2.325 -6.440) 7.942 1.850 ( 4.283 2.473 13.436) 14.317 2.249 ( -2.998 -1.731 -3.062) 4.622 2.249 ( 0.188 0.108 0.987) 1.010 2.274 ( 1.151 0.665 0.389) 1.385 2.306 ( -1.565 -0.904 0.102) 1.810 2.406 ( 1.249 0.721 -6.049) 6.218 2.543 ( 3.784 2.185 2.491) 5.030 4.001 ( -0.536 -0.309 -6.770) 6.798 4.015 ( 0.962 0.555 -6.354) 6.450 5.015 ( 1.947 1.124 -1.202) 2.549 6.442 ( -7.662 -4.424 -0.633) 8.870 6.922 ( -1.731 -0.999 1.446) 2.467 6.985 ( 2.521 1.456 1.104) 3.114 7.012 ( 1.327 0.766 0.344) 1.570 7.157 ( 10.901 6.294 -0.929) 12.622 7.603 ( -1.756 -1.014 1.752) 2.679 13.267 ( -0.313 -0.181 1.488) 1.531 13.332 ( 4.500 2.598 1.041) 5.299 15.592 ( 0.116 0.067 -1.035) 1.044 15.611 ( 1.637 0.945 -0.406) 1.933 16.030 ( -0.864 -0.499 0.699) 1.218 16.145 ( -5.417 -3.128 -3.087) 6.976 ======================= Grid point 366 (72/100) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.701 0.404 9.025) 9.061 1.270 ( -0.499 -0.288 12.610) 12.624 1.441 ( -3.096 -1.787 -4.377) 5.651 1.774 ( 0.698 0.403 -1.134) 1.392 1.855 ( 3.401 1.964 -4.806) 6.207 2.005 ( 8.187 4.727 8.245) 12.544 2.163 ( -2.924 -1.688 -1.293) 3.616 2.238 ( -0.952 -0.549 1.069) 1.533 2.291 ( 0.086 0.050 -0.036) 0.106 2.325 ( 1.172 0.677 -0.285) 1.383 2.420 ( 0.928 0.536 -4.095) 4.233 2.651 ( 4.991 2.881 2.482) 6.275 3.980 ( -1.179 -0.681 -6.896) 7.029 4.046 ( 1.542 0.890 -6.145) 6.398 5.076 ( 3.087 1.782 -1.299) 3.794 6.289 ( -4.912 -2.836 0.809) 5.730 6.882 ( -1.654 -0.955 1.530) 2.447 7.041 ( 1.047 0.604 0.281) 1.241 7.060 ( 3.603 2.080 0.989) 4.277 7.414 ( 10.151 5.861 -0.988) 11.763 7.545 ( -3.100 -1.790 1.014) 3.720 13.260 ( -0.274 -0.158 1.598) 1.629 13.468 ( 6.610 3.816 1.159) 7.720 15.594 ( 0.044 0.025 -1.102) 1.103 15.633 ( -0.812 -0.469 2.442) 2.615 15.968 ( -4.421 -2.552 -4.061) 6.522 16.041 ( -1.870 -1.080 -1.767) 2.790 ======================= Grid point 367 (73/100) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 2.180 1.258 5.730) 6.258 1.250 ( -0.364 -0.210 8.602) 8.612 1.396 ( -0.615 -0.355 -2.567) 2.663 1.746 ( -3.366 -1.944 -1.738) 4.258 1.909 ( 0.849 0.490 -0.809) 1.272 2.118 ( -0.017 -0.010 -0.598) 0.598 2.202 ( 5.930 3.424 4.448) 8.166 2.225 ( 0.115 0.066 0.632) 0.646 2.294 ( 0.078 0.045 -1.166) 1.170 2.312 ( -0.517 -0.299 -1.215) 1.354 2.470 ( 2.509 1.449 -0.159) 2.902 2.764 ( 4.295 2.480 2.602) 5.601 3.949 ( -1.371 -0.791 -6.972) 7.149 4.081 ( 1.321 0.763 -6.080) 6.268 5.149 ( 2.813 1.624 -1.405) 3.539 6.210 ( -1.954 -1.128 1.272) 2.590 6.847 ( -1.202 -0.694 1.556) 2.085 7.061 ( 0.651 0.376 0.222) 0.784 7.144 ( 3.333 1.924 1.350) 4.079 7.464 ( -3.641 -2.102 0.586) 4.245 7.619 ( 7.127 4.115 -0.711) 8.260 13.255 ( -0.103 -0.060 1.570) 1.574 13.625 ( 6.250 3.608 1.474) 7.366 15.546 ( -5.611 -3.240 4.518) 7.899 15.594 ( -0.054 -0.031 -1.082) 1.084 15.910 ( -0.525 -0.303 -7.941) 7.964 16.016 ( -0.713 -0.412 -0.747) 1.112 ======================= Grid point 368 (74/100) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 3.050 1.761 1.916) 4.010 1.275 ( 2.672 1.543 2.685) 4.090 1.410 ( 1.459 0.842 -0.041) 1.685 1.628 ( -5.944 -3.432 -1.166) 6.962 1.887 ( -2.686 -1.551 4.172) 5.199 2.127 ( 0.265 0.153 0.233) 0.385 2.207 ( -2.393 -1.381 -0.078) 2.764 2.238 ( 0.508 0.293 1.024) 1.180 2.300 ( 0.667 0.385 -3.508) 3.592 2.401 ( 5.041 2.911 3.048) 6.571 2.510 ( 0.525 0.303 -0.085) 0.612 2.838 ( 1.753 1.012 2.724) 3.394 3.922 ( -0.741 -0.428 -6.971) 7.024 4.104 ( 0.552 0.319 -6.136) 6.169 5.198 ( 1.123 0.648 -1.457) 1.950 6.186 ( -0.275 -0.159 1.264) 1.304 6.828 ( -0.385 -0.222 1.495) 1.559 7.071 ( 0.214 0.124 0.202) 0.319 7.210 ( 1.967 1.135 2.128) 3.112 7.381 ( -3.052 -1.762 0.454) 3.554 7.744 ( 3.339 1.928 -0.976) 3.977 13.255 ( 0.115 0.066 1.412) 1.419 13.740 ( 3.058 1.765 1.327) 3.772 15.438 ( -2.423 -1.399 3.246) 4.286 15.591 ( -0.121 -0.070 -0.982) 0.992 15.903 ( -0.671 -0.387 -6.731) 6.776 16.005 ( -0.229 -0.133 -0.865) 0.904 ======================= Grid point 369 (75/100) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 3.207 1.852 -1.556) 4.017 1.373 ( 3.963 2.288 -0.726) 4.633 1.396 ( -3.322 -1.918 -0.334) 3.850 1.548 ( 1.343 0.775 1.894) 2.448 1.793 ( -4.987 -2.879 7.460) 9.424 2.085 ( -3.711 -2.142 1.640) 4.588 2.193 ( 1.275 0.736 1.851) 2.365 2.237 ( -0.414 -0.239 1.868) 1.928 2.327 ( 1.333 0.770 -4.505) 4.761 2.481 ( 1.319 0.761 0.459) 1.591 2.487 ( -2.212 -1.277 -0.466) 2.596 2.839 ( -1.675 -0.967 2.695) 3.318 3.918 ( 0.422 0.244 -6.808) 6.826 4.106 ( -0.392 -0.226 -6.250) 6.266 5.197 ( -1.159 -0.669 -1.432) 1.960 6.191 ( 0.678 0.392 1.035) 1.298 6.830 ( 0.575 0.332 1.387) 1.537 7.071 ( -0.239 -0.138 0.219) 0.352 7.211 ( -2.251 -1.300 2.141) 3.368 7.349 ( 0.720 0.415 1.837) 2.016 7.773 ( -0.893 -0.515 -2.249) 2.474 13.260 ( 0.276 0.159 1.201) 1.243 13.751 ( -2.279 -1.316 0.716) 2.727 15.461 ( 4.500 2.598 2.538) 5.783 15.588 ( -0.124 -0.072 -0.849) 0.861 15.870 ( -2.154 -1.244 -5.601) 6.129 16.004 ( 0.184 0.106 -0.709) 0.740 ======================= Grid point 370 (76/100) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -6.105 -3.525 4.379) 8.298 1.323 ( 2.154 1.244 -3.285) 4.120 1.523 ( 5.811 3.355 -3.756) 7.689 1.630 ( 4.873 2.813 2.643) 6.216 1.667 ( -5.247 -3.029 8.513) 10.449 1.984 ( -4.543 -2.623 5.378) 7.513 2.227 ( -0.341 -0.197 2.032) 2.070 2.236 ( 1.766 1.019 0.941) 2.246 2.351 ( 0.581 0.335 -3.761) 3.820 2.402 ( -4.055 -2.341 -2.700) 5.405 2.477 ( -1.896 -1.095 -0.409) 2.227 2.766 ( -4.256 -2.457 2.516) 5.521 3.939 ( 1.201 0.693 -6.551) 6.696 4.087 ( -1.169 -0.675 -6.388) 6.529 5.148 ( -2.812 -1.624 -1.356) 3.519 6.222 ( 2.058 1.188 0.740) 2.489 6.853 ( 1.306 0.754 1.281) 1.979 7.060 ( -0.684 -0.395 0.276) 0.836 7.130 ( -3.990 -2.304 2.002) 5.023 7.386 ( 1.600 0.924 3.374) 3.847 7.705 ( -4.549 -2.626 -3.832) 6.502 13.267 ( 0.307 0.177 1.038) 1.096 13.642 ( -6.461 -3.730 0.374) 7.469 15.586 ( -0.072 -0.042 -0.749) 0.754 15.631 ( 8.758 5.057 3.541) 10.715 15.809 ( -2.321 -1.340 -6.316) 6.861 16.013 ( 0.553 0.319 -0.328) 0.718 ======================= Grid point 371 (77/100) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -3.148 -1.817 9.012) 9.718 1.333 ( -1.970 -1.137 1.664) 2.818 1.580 ( -1.351 -0.780 3.180) 3.543 1.615 ( 2.189 1.264 -1.064) 2.742 1.762 ( 4.895 2.826 -1.486) 5.845 1.886 ( -3.428 -1.979 9.279) 10.088 2.225 ( 0.151 0.087 2.077) 2.085 2.226 ( -2.258 -1.304 -0.679) 2.694 2.354 ( -0.175 -0.101 -2.731) 2.738 2.356 ( 0.317 0.183 -3.279) 3.299 2.405 ( -3.562 -2.056 -1.665) 4.437 2.653 ( -5.003 -2.888 2.344) 6.234 3.969 ( 1.231 0.711 -6.401) 6.557 4.054 ( -1.488 -0.859 -6.551) 6.772 5.076 ( -3.064 -1.769 -1.267) 3.758 6.299 ( 4.702 2.715 0.317) 5.439 6.889 ( 1.659 0.958 1.191) 2.256 7.038 ( -3.609 -2.084 2.032) 4.636 7.039 ( -1.095 -0.632 0.385) 1.321 7.367 ( -4.938 -2.851 1.653) 5.936 7.606 ( -2.123 -1.226 -2.275) 3.344 13.274 ( 0.198 0.114 0.999) 1.025 13.473 ( -7.281 -4.204 0.681) 8.435 15.585 ( 0.005 0.003 -0.729) 0.729 15.692 ( -2.979 -1.720 0.242) 3.448 15.912 ( 9.552 5.515 -2.739) 11.365 16.031 ( 1.138 0.657 -0.345) 1.359 ======================= Grid point 372 (78/100) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.388 0.224 11.649) 11.657 1.245 ( -4.577 -2.643 8.928) 10.375 1.600 ( 2.406 1.389 -4.093) 4.947 1.646 ( 0.939 0.542 -0.710) 1.296 1.789 ( -2.428 -1.402 -2.270) 3.608 1.830 ( -1.877 -1.084 12.125) 12.317 2.231 ( 2.931 1.692 -1.662) 3.770 2.232 ( 0.390 0.225 1.804) 1.859 2.303 ( -2.977 -1.718 -0.321) 3.452 2.350 ( -0.081 -0.047 -1.698) 1.700 2.382 ( -0.258 -0.149 -5.875) 5.883 2.545 ( -3.881 -2.241 2.386) 5.077 3.993 ( 0.798 0.461 -6.436) 6.501 4.022 ( -1.153 -0.665 -6.668) 6.799 5.015 ( -1.934 -1.117 -1.196) 2.533 6.445 ( 7.384 4.263 -0.838) 8.568 6.929 ( 1.654 0.955 1.148) 2.228 6.970 ( -1.959 -1.131 1.791) 2.885 7.009 ( -1.371 -0.791 0.497) 1.659 7.162 ( -10.566 -6.100 -1.008) 12.243 7.608 ( 1.071 0.618 1.420) 1.883 13.276 ( -0.002 -0.001 1.100) 1.100 13.327 ( -4.601 -2.657 1.215) 5.450 15.586 ( 0.080 0.046 -0.795) 0.800 15.621 ( -2.474 -1.428 -0.925) 3.003 16.030 ( 0.869 0.502 0.738) 1.246 16.137 ( 6.417 3.705 -2.666) 7.875 ======================= Grid point 374 (79/100) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.451 2.053 9.698) 9.923 1.301 ( -0.201 3.672 9.157) 9.868 1.496 ( -5.361 -1.156 -2.132) 5.884 1.704 ( 4.733 -2.425 -1.117) 5.434 1.810 ( 1.188 -1.726 -3.806) 4.345 1.916 ( 6.512 3.897 10.035) 12.582 2.196 ( -1.555 -0.085 -1.132) 1.925 2.248 ( 1.520 -0.227 1.164) 1.928 2.301 ( -2.713 1.082 -0.533) 2.969 2.352 ( -0.595 4.116 -0.382) 4.176 2.398 ( 1.234 -1.265 -5.311) 5.598 2.621 ( 2.753 4.991 2.391) 6.181 3.985 ( -0.012 -1.025 -6.589) 6.668 4.038 ( 0.338 1.392 -6.429) 6.587 5.057 ( 1.688 2.887 -1.259) 3.574 6.327 ( -3.590 -5.503 0.336) 6.579 6.929 ( -2.499 0.408 1.523) 2.954 6.947 ( 2.265 -1.434 0.830) 2.806 7.081 ( 2.470 3.494 0.909) 4.374 7.337 ( 6.154 8.903 -0.370) 10.829 7.579 ( -2.058 -0.602 0.101) 2.147 13.275 ( -0.275 0.673 1.262) 1.456 13.421 ( 3.391 5.925 0.998) 6.899 15.589 ( 0.269 -0.184 -0.713) 0.784 15.654 ( -0.267 2.745 0.303) 2.774 15.984 ( -2.453 -6.479 -1.861) 7.173 16.047 ( -1.074 -3.239 -1.656) 3.793 ======================= Grid point 375 (80/100) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.557 4.691 6.084) 7.703 1.300 ( -3.192 2.927 10.063) 10.955 1.414 ( -2.573 -0.683 -2.632) 3.744 1.734 ( 0.537 -4.087 -0.065) 4.123 1.820 ( 5.656 -4.802 -4.060) 8.457 2.095 ( 6.963 3.491 4.824) 9.162 2.166 ( -2.277 1.188 1.872) 3.178 2.240 ( -1.108 0.036 -0.108) 1.114 2.306 ( 0.143 2.064 -0.354) 2.099 2.357 ( -1.956 2.687 -2.628) 4.237 2.430 ( 2.722 0.464 -0.794) 2.873 2.728 ( 3.505 4.349 2.506) 6.122 3.969 ( -0.999 -0.331 -6.831) 6.911 4.062 ( 1.146 0.544 -6.161) 6.290 5.125 ( 2.360 2.738 -1.374) 3.867 6.234 ( -2.361 -2.208 1.062) 3.403 6.883 ( -2.810 0.803 1.542) 3.304 6.986 ( 3.884 -2.827 0.624) 4.844 7.152 ( 1.223 3.842 1.163) 4.197 7.498 ( 1.877 -0.573 3.348) 3.881 7.557 ( 1.689 5.535 -3.764) 6.904 13.280 ( -0.743 2.088 1.384) 2.613 13.550 ( 5.225 3.804 1.265) 6.586 15.575 ( -1.756 -2.488 1.616) 3.447 15.635 ( -3.129 0.914 1.582) 3.623 15.892 ( 0.261 -4.077 -7.513) 8.552 16.020 ( -0.525 -0.930 -0.432) 1.152 ======================= Grid point 376 (81/100) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.536 7.383 2.264) 7.741 1.278 ( -1.500 2.528 6.165) 6.830 1.398 ( 0.735 0.765 -0.845) 1.356 1.655 ( -2.709 -6.132 0.311) 6.711 1.877 ( 3.109 -3.053 -1.555) 4.627 2.069 ( -1.013 -5.331 0.079) 5.427 2.227 ( -1.037 0.634 -0.242) 1.239 2.258 ( 2.113 2.169 2.305) 3.806 2.328 ( 0.273 3.706 0.374) 3.735 2.371 ( 0.205 3.957 0.189) 3.966 2.483 ( 2.532 -0.146 0.031) 2.536 2.819 ( 2.361 2.639 2.655) 4.425 3.946 ( -1.525 0.662 -6.907) 7.104 4.085 ( 1.289 -0.435 -6.132) 6.281 5.185 ( 1.607 1.782 -1.479) 2.819 6.194 ( -0.846 -0.377 1.279) 1.579 6.850 ( -1.791 0.850 1.524) 2.501 7.019 ( 3.037 -2.969 0.567) 4.285 7.200 ( 0.891 1.795 1.843) 2.723 7.456 ( -4.042 1.737 0.237) 4.405 7.683 ( 5.026 1.841 -0.953) 5.437 13.289 ( -1.473 3.336 1.380) 3.899 13.668 ( 5.289 0.180 1.447) 5.486 15.470 ( -3.870 -3.781 3.648) 6.526 15.619 ( -1.388 2.333 -1.163) 2.953 15.886 ( 1.241 -1.990 -7.326) 7.693 16.005 ( -0.247 -0.607 -0.486) 0.815 ======================= Grid point 377 (82/100) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.637 4.539 1.059) 4.705 1.343 ( 3.415 5.582 -0.828) 6.596 1.436 ( -0.190 2.045 0.761) 2.190 1.540 ( -2.160 -4.226 1.168) 4.888 1.813 ( -3.931 -6.151 4.030) 8.339 2.062 ( 5.124 -4.587 -1.598) 7.061 2.196 ( -3.012 0.888 1.789) 3.614 2.272 ( -1.711 2.308 1.825) 3.404 2.352 ( -1.299 3.194 -2.186) 4.083 2.446 ( 3.274 0.909 2.088) 3.988 2.499 ( -0.314 -1.034 -0.605) 1.239 2.855 ( -0.296 0.597 2.719) 2.800 3.934 ( -1.053 1.499 -6.836) 7.077 4.095 ( 0.739 -1.109 -6.218) 6.360 5.210 ( -0.295 0.474 -1.508) 1.608 6.188 ( 0.055 0.289 1.200) 1.235 6.840 ( -0.625 1.341 1.433) 2.060 7.030 ( 1.818 -3.394 0.631) 3.901 7.219 ( 0.332 -0.394 2.302) 2.358 7.412 ( -4.050 4.281 0.444) 5.910 7.752 ( 2.164 -1.208 -1.426) 2.859 13.295 ( -1.911 3.640 1.279) 4.305 13.724 ( 2.423 -3.336 1.108) 4.269 15.417 ( 1.183 -0.680 2.854) 3.163 15.620 ( -1.456 2.859 -1.437) 3.516 15.874 ( -0.263 -2.347 -5.920) 6.373 15.999 ( 0.205 -0.316 -0.613) 0.720 ======================= Grid point 379 (83/100) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -1.005 0.112 -1.838) 2.098 1.336 ( -4.359 -0.847 2.199) 4.955 1.493 ( 3.984 7.466 -3.300) 9.083 1.574 ( 3.845 1.825 2.881) 5.139 1.668 ( -2.995 -8.297 6.714) 11.086 2.083 ( -3.127 1.512 1.636) 3.839 2.175 ( 2.613 -1.084 1.724) 3.313 2.257 ( -1.919 1.218 2.179) 3.149 2.360 ( -0.696 1.733 -2.735) 3.312 2.445 ( -3.165 -2.338 -1.150) 4.100 2.478 ( 0.150 -1.299 0.051) 1.308 2.821 ( -3.407 -0.742 2.603) 4.352 3.941 ( -0.072 1.698 -6.658) 6.871 4.088 ( -0.117 -1.321 -6.318) 6.456 5.185 ( -2.370 -0.487 -1.448) 2.820 6.201 ( 1.050 0.402 0.986) 1.495 6.855 ( 0.323 2.108 1.295) 2.495 7.014 ( 0.899 -4.392 0.854) 4.564 7.200 ( -2.291 0.161 1.861) 2.956 7.408 ( -1.540 4.387 2.129) 5.114 7.732 ( -1.786 -3.342 -2.876) 4.757 13.295 ( -1.810 2.791 1.133) 3.514 13.681 ( -2.387 -4.790 0.694) 5.397 15.495 ( 6.684 0.477 2.772) 7.252 15.630 ( -0.642 3.562 -1.144) 3.796 15.832 ( -1.631 -1.915 -5.659) 6.193 16.005 ( 0.559 -0.051 -0.434) 0.710 ======================= Grid point 380 (84/100) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -5.123 -2.671 5.647) 8.079 1.346 ( 0.017 0.244 0.024) 0.246 1.521 ( -0.151 -7.639 5.789) 9.586 1.640 ( 1.236 6.033 -1.649) 6.375 1.697 ( 6.128 3.802 -0.415) 7.224 2.006 ( -7.436 3.654 6.603) 10.594 2.223 ( 1.380 -2.125 0.661) 2.619 2.238 ( -0.191 0.944 1.114) 1.473 2.343 ( -2.358 -2.234 -1.623) 3.631 2.377 ( -0.868 0.976 -4.134) 4.335 2.435 ( -2.410 -2.657 -0.379) 3.608 2.730 ( -5.487 -0.982 2.442) 6.086 3.962 ( 0.653 1.194 -6.532) 6.672 4.066 ( -0.924 -1.018 -6.398) 6.544 5.124 ( -3.551 -0.633 -1.349) 3.851 6.240 ( 3.181 0.396 0.760) 3.294 6.891 ( 0.785 2.905 1.155) 3.224 6.976 ( 0.329 -4.786 1.171) 4.938 7.148 ( -4.255 1.334 1.307) 4.647 7.429 ( -1.713 3.112 3.275) 4.831 7.632 ( -3.997 -4.212 -3.930) 7.011 13.288 ( -1.233 1.086 1.074) 1.963 13.558 ( -6.102 -3.363 0.733) 7.006 15.579 ( 1.627 -0.194 0.359) 1.678 15.688 ( 2.337 -1.064 3.122) 4.043 15.824 ( 3.427 3.462 -7.294) 8.771 16.018 ( 0.879 0.146 -0.215) 0.917 ======================= Grid point 385 (85/100) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.325 6.628 1.435) 6.909 1.348 ( -0.014 0.825 2.007) 2.170 1.452 ( -5.845 5.371 5.109) 9.440 1.620 ( -1.094 -5.986 2.054) 6.422 1.710 ( 8.379 -5.686 -4.171) 10.951 2.086 ( -4.585 -4.668 -1.219) 6.656 2.198 ( 5.197 2.489 4.704) 7.438 2.258 ( -0.162 2.021 0.835) 2.193 2.369 ( -0.040 3.345 -0.448) 3.375 2.429 ( 1.824 2.926 -1.718) 3.853 2.434 ( -1.017 0.466 0.540) 1.242 2.812 ( 1.974 3.521 2.573) 4.787 3.968 ( 0.393 0.195 -6.694) 6.709 4.067 ( -0.192 -0.008 -6.260) 6.263 5.180 ( 1.432 2.443 -1.489) 3.200 6.203 ( -0.730 -0.851 1.131) 1.593 6.896 ( -0.830 -0.249 1.371) 1.622 6.947 ( 0.494 -0.448 1.016) 1.215 7.203 ( 0.640 1.136 1.826) 2.244 7.491 ( 3.020 0.480 1.731) 3.514 7.659 ( -0.647 3.706 -2.740) 4.654 13.335 ( 1.507 2.961 1.161) 3.519 13.610 ( 0.628 1.908 1.186) 2.333 15.492 ( -3.649 -5.008 3.299) 7.020 15.666 ( -0.337 1.731 -0.980) 2.018 15.831 ( 1.737 -1.683 -6.939) 7.348 16.004 ( -0.384 -0.634 -0.262) 0.786 ======================= Grid point 386 (86/100) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -1.046 3.549 3.159) 4.865 1.359 ( 0.835 4.020 -0.084) 4.106 1.466 ( 0.749 6.369 0.984) 6.488 1.534 ( -2.821 -3.471 2.631) 5.190 1.793 ( 4.076 -4.892 -2.542) 6.856 1.922 ( -2.115 -8.338 -1.069) 8.669 2.263 ( -1.877 2.655 1.169) 3.455 2.301 ( 2.125 1.997 1.936) 3.501 2.408 ( -0.226 -0.961 1.234) 1.581 2.411 ( -0.364 3.774 0.593) 3.838 2.481 ( 1.478 0.311 -0.339) 1.548 2.862 ( 0.666 1.446 2.692) 3.127 3.975 ( -0.953 1.995 -6.702) 7.057 4.063 ( 0.835 -1.648 -6.275) 6.541 5.216 ( 0.470 1.139 -1.602) 2.021 6.193 ( -0.202 0.098 1.278) 1.297 6.876 ( -1.572 1.608 1.444) 2.672 6.960 ( 2.061 -2.655 1.043) 3.519 7.209 ( 0.112 -0.390 2.172) 2.210 7.527 ( -2.216 4.640 -0.172) 5.145 7.687 ( 2.437 -1.504 -1.080) 3.061 13.385 ( -1.540 5.807 1.216) 6.130 13.626 ( 2.728 -4.152 1.308) 5.137 15.404 ( -1.261 -2.426 3.033) 4.083 15.684 ( -1.226 3.860 -2.303) 4.659 15.833 ( 1.222 -3.085 -5.699) 6.595 15.994 ( -0.057 -0.400 -0.321) 0.516 ======================= Grid point 387 (87/100) ======================= q-point: (-0.56 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -1.876 2.271 0.202) 2.953 1.399 ( -3.056 -1.568 1.817) 3.886 1.477 ( 3.346 0.351 2.633) 4.272 1.587 ( 0.998 10.653 -2.185) 10.921 1.651 ( -5.871 -8.693 2.728) 10.839 1.969 ( 9.237 -4.247 -2.303) 10.424 2.243 ( -3.798 3.205 2.552) 5.587 2.304 ( -2.214 0.062 1.587) 2.725 2.405 ( -0.751 1.752 -0.328) 1.934 2.432 ( 0.609 -1.331 1.293) 1.953 2.481 ( -1.069 -0.836 -0.445) 1.428 2.862 ( -1.551 0.128 2.679) 3.098 3.973 ( -1.393 1.877 -6.635) 7.034 4.064 ( 1.099 -1.571 -6.332) 6.615 5.216 ( -1.234 0.170 -1.597) 2.025 6.194 ( 0.149 0.149 1.228) 1.246 6.879 ( -0.404 2.180 1.340) 2.591 6.957 ( 1.037 -3.116 1.167) 3.485 7.209 ( 0.316 -0.315 2.171) 2.216 7.514 ( -4.195 4.610 0.368) 6.244 7.701 ( 1.363 -3.222 -1.632) 3.860 13.385 ( -4.157 4.165 1.209) 6.008 13.629 ( 2.532 -4.599 1.135) 5.371 15.407 ( 3.145 -0.358 2.925) 4.310 15.691 ( -2.229 2.978 -2.504) 4.484 15.820 ( 0.761 -2.126 -5.206) 5.675 15.994 ( 0.404 -0.167 -0.350) 0.560 ======================= Grid point 395 (88/100) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.640 -1.281 1.726) 2.243 1.401 ( 0.641 1.281 1.726) 2.243 1.419 ( -0.000 -0.000 3.156) 3.156 1.692 ( -2.127 -4.254 -1.053) 4.872 1.692 ( 2.127 4.254 -1.053) 4.871 1.778 ( 0.000 0.000 -2.259) 2.259 2.299 ( 0.000 -0.000 1.701) 1.701 2.354 ( -1.523 -3.046 1.239) 3.624 2.354 ( 1.523 3.046 1.239) 3.624 2.470 ( -0.787 -1.575 0.457) 1.819 2.470 ( 0.787 1.575 0.457) 1.819 2.877 ( -0.000 -0.000 2.711) 2.711 4.021 ( -1.053 -2.106 -6.473) 6.888 4.021 ( 1.053 2.106 -6.473) 6.888 5.228 ( -0.000 -0.000 -1.671) 1.671 6.194 ( -0.000 -0.000 1.309) 1.309 6.913 ( -0.873 -1.746 1.332) 2.363 6.913 ( 0.873 1.746 1.332) 2.363 7.203 ( -0.000 -0.000 2.151) 2.151 7.624 ( -2.020 -4.040 -0.670) 4.566 7.624 ( 2.020 4.040 -0.670) 4.566 13.513 ( -2.859 -5.718 1.232) 6.510 13.513 ( 2.859 5.718 1.232) 6.510 15.378 ( -0.000 -0.000 2.873) 2.873 15.764 ( -1.614 -3.227 -3.949) 5.349 15.764 ( 1.614 3.227 -3.949) 5.349 15.989 ( -0.000 -0.000 -0.300) 0.300 ======================= Grid point 455 (89/100) ======================= 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 0.000 0.000) 0.000 1.285 ( -0.000 -0.000 0.000) 0.000 1.584 ( -0.000 -0.000 0.000) 0.000 1.584 ( 0.000 -0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 -0.000 0.000) 0.000 2.152 ( 0.000 0.000 -0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 -0.000 0.000) 0.000 2.333 ( 0.000 -0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 -0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 -0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 13.287 ( 0.000 -0.000 0.000) 0.000 13.287 ( 0.000 0.000 0.000) 0.000 15.579 ( 0.000 -0.000 0.000) 0.000 15.579 ( 0.000 -0.000 0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 457 (90/100) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.856 -0.494 6.101) 6.180 1.298 ( 0.569 0.328 -6.765) 6.797 1.558 ( -1.463 -0.845 6.574) 6.787 1.624 ( 3.186 1.839 -6.390) 7.373 1.744 ( 1.914 1.105 0.754) 2.335 2.043 ( -1.060 -0.612 -1.512) 1.946 2.144 ( -0.291 -0.168 0.725) 0.799 2.257 ( -0.071 -0.041 -0.450) 0.458 2.293 ( 2.502 1.444 0.698) 2.972 2.320 ( -0.774 -0.447 1.173) 1.475 2.340 ( 0.544 0.314 -0.908) 1.104 2.570 ( 3.751 2.166 0.031) 4.331 3.927 ( -0.674 -0.389 -0.199) 0.804 3.949 ( 1.129 0.652 0.181) 1.316 5.002 ( 1.912 1.104 -0.003) 2.208 6.435 ( -6.690 -3.862 0.083) 7.725 6.938 ( -1.675 -0.967 0.161) 1.941 6.992 ( 2.261 1.305 -0.395) 2.640 7.015 ( 1.324 0.764 -0.075) 1.530 7.150 ( 10.418 6.015 0.167) 12.031 7.622 ( -1.832 -1.058 0.103) 2.118 13.285 ( -0.155 -0.089 0.235) 0.295 13.341 ( 4.428 2.557 -0.154) 5.116 15.579 ( 0.018 0.010 -0.146) 0.147 15.608 ( 2.291 1.323 0.251) 2.658 16.043 ( -0.491 -0.284 0.044) 0.569 16.107 ( -6.583 -3.801 -0.221) 7.605 ======================= Grid point 459 (91/100) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.940 -0.543 7.334) 7.414 1.303 ( 0.227 0.131 -7.621) 7.626 1.509 ( -3.249 -1.876 9.062) 9.808 1.720 ( 4.664 2.693 -8.158) 9.776 1.754 ( -1.174 -0.678 -0.717) 1.534 2.044 ( 0.791 0.456 -5.504) 5.579 2.176 ( 3.634 2.098 3.856) 5.699 2.251 ( -0.366 -0.211 -0.213) 0.473 2.307 ( -0.388 -0.224 1.682) 1.741 2.311 ( -0.630 -0.364 0.294) 0.785 2.397 ( 3.751 2.165 0.174) 4.334 2.677 ( 5.031 2.905 0.071) 5.810 3.904 ( -1.238 -0.715 -0.303) 1.461 3.983 ( 1.594 0.920 0.212) 1.853 5.063 ( 3.032 1.750 -0.014) 3.501 6.299 ( -4.479 -2.586 0.249) 5.178 6.899 ( -1.620 -0.935 0.182) 1.879 7.043 ( 1.022 0.590 -0.043) 1.180 7.065 ( 3.649 2.107 -0.573) 4.252 7.391 ( 8.505 4.910 -1.021) 9.873 7.572 ( -1.577 -0.910 1.418) 2.308 13.280 ( -0.234 -0.135 0.363) 0.453 13.480 ( 6.889 3.977 0.075) 7.955 15.580 ( 0.020 0.011 -0.226) 0.227 15.673 ( 2.623 1.514 1.646) 3.447 15.906 ( -9.461 -5.462 -1.714) 11.058 16.028 ( -0.756 -0.436 -0.097) 0.878 ======================= Grid point 461 (92/100) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -0.672 -0.388 5.399) 5.455 1.329 ( 2.213 1.278 -3.974) 4.725 1.411 ( -4.372 -2.524 7.065) 8.683 1.693 ( -3.869 -2.234 -3.219) 5.507 1.830 ( 4.296 2.480 -6.801) 8.418 2.075 ( 1.795 1.036 -3.466) 4.038 2.238 ( -0.471 -0.272 0.327) 0.634 2.245 ( -0.050 -0.029 0.782) 0.784 2.294 ( -0.837 -0.483 1.191) 1.534 2.344 ( 4.696 2.711 2.996) 6.195 2.476 ( 2.553 1.474 0.226) 2.956 2.792 ( 4.352 2.513 0.070) 5.026 3.872 ( -1.350 -0.780 -0.268) 1.582 4.018 ( 1.287 0.743 0.133) 1.492 5.134 ( 2.774 1.601 -0.023) 3.203 6.226 ( -1.900 -1.097 0.297) 2.213 6.865 ( -1.237 -0.714 0.153) 1.437 7.063 ( 0.640 0.369 -0.021) 0.739 7.154 ( 3.769 2.176 -0.361) 4.367 7.442 ( -2.542 -1.468 -2.206) 3.672 7.642 ( 5.787 3.341 2.440) 7.114 13.275 ( -0.204 -0.118 0.322) 0.399 13.643 ( 6.393 3.691 0.387) 7.392 15.580 ( 0.010 0.006 -0.201) 0.202 15.628 ( -7.567 -4.369 3.500) 9.412 15.787 ( 1.087 0.628 -3.911) 4.108 16.010 ( -0.678 -0.392 -0.024) 0.783 ======================= Grid point 463 (93/100) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.245 -0.142 1.957) 1.977 1.329 ( -1.875 -1.082 2.646) 3.418 1.405 ( 3.246 1.874 -0.485) 3.780 1.590 ( -4.000 -2.310 -2.225) 5.127 1.907 ( 1.877 1.083 -2.863) 3.590 2.116 ( 1.337 0.772 -1.119) 1.906 2.210 ( -1.085 -0.626 -0.122) 1.259 2.250 ( 0.456 0.263 1.295) 1.398 2.270 ( -1.007 -0.582 -0.160) 1.174 2.453 ( 3.517 2.030 2.023) 4.537 2.505 ( -0.188 -0.109 -0.614) 0.651 2.867 ( 1.760 1.016 0.030) 2.032 3.847 ( -0.622 -0.359 -0.107) 0.727 4.040 ( 0.483 0.279 0.042) 0.559 5.182 ( 1.125 0.650 -0.012) 1.300 6.200 ( -0.448 -0.258 0.134) 0.534 6.844 ( -0.476 -0.275 0.061) 0.553 7.073 ( 0.218 0.126 -0.006) 0.252 7.232 ( 2.409 1.391 0.055) 2.782 7.376 ( -2.270 -1.311 -0.880) 2.765 7.742 ( 2.269 1.310 0.779) 2.733 13.271 ( -0.080 -0.046 0.128) 0.158 13.756 ( 2.703 1.561 0.244) 3.131 15.479 ( -3.713 -2.144 0.713) 4.346 15.580 ( 0.002 0.001 -0.080) 0.080 15.821 ( 0.950 0.548 -0.976) 1.468 15.998 ( -0.276 -0.159 0.007) 0.319 ======================= Grid point 475 (94/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.634 -1.099 0.000) 1.269 1.312 ( 0.318 0.550 0.000) 0.635 1.552 ( 0.092 0.160 0.000) 0.185 1.651 ( 0.297 0.515 -0.000) 0.594 1.762 ( -0.164 -0.284 0.000) 0.328 2.053 ( 1.399 2.422 0.000) 2.797 2.150 ( 0.793 1.374 0.000) 1.586 2.260 ( -0.112 -0.194 0.000) 0.223 2.299 ( 0.037 0.064 0.000) 0.074 2.331 ( -0.257 -0.445 -0.000) 0.514 2.362 ( 1.836 3.180 0.000) 3.672 2.646 ( 2.852 4.940 0.000) 5.704 3.915 ( -0.465 -0.806 0.000) 0.930 3.970 ( 0.742 1.286 0.000) 1.485 5.044 ( 1.647 2.852 0.000) 3.293 6.330 ( -3.027 -5.242 0.000) 6.053 6.945 ( -0.505 -0.875 0.000) 1.010 6.955 ( -0.024 -0.041 0.000) 0.047 7.091 ( 2.191 3.795 0.000) 4.382 7.331 ( 5.939 10.286 0.000) 11.877 7.583 ( -1.490 -2.581 0.000) 2.980 13.288 ( 0.204 0.353 0.000) 0.408 13.431 ( 3.387 5.866 0.000) 6.773 15.581 ( 0.061 0.106 0.000) 0.123 15.655 ( 1.728 2.994 0.000) 3.457 15.965 ( -5.443 -9.428 0.000) 10.886 16.032 ( -0.419 -0.725 0.000) 0.838 ======================= Grid point 477 (95/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -0.030 0.275 2.993) 3.006 1.324 ( 0.481 1.394 -2.622) 3.008 1.507 ( -6.661 1.957 7.870) 10.495 1.698 ( 7.417 -3.905 -7.207) 11.055 1.721 ( -2.300 -2.955 -1.749) 4.133 2.103 ( -0.807 3.590 -2.829) 4.642 2.213 ( 2.349 0.741 1.258) 2.766 2.242 ( 0.623 -0.401 0.865) 1.139 2.312 ( 0.590 1.485 1.078) 1.928 2.334 ( -0.230 2.922 0.278) 2.944 2.433 ( 3.168 1.163 0.290) 3.387 2.755 ( 3.604 4.341 0.042) 5.642 3.895 ( -1.231 -0.161 -0.182) 1.255 3.998 ( 1.298 0.454 0.112) 1.380 5.110 ( 2.308 2.694 -0.011) 3.547 6.246 ( -2.029 -2.236 0.164) 3.023 6.901 ( -2.815 0.779 0.207) 2.929 6.990 ( 3.773 -2.670 -0.244) 4.629 7.163 ( 1.247 4.286 -0.125) 4.465 7.489 ( -1.503 3.278 -2.904) 4.630 7.564 ( 5.227 1.215 3.062) 6.178 13.297 ( -0.504 1.797 0.198) 1.877 13.564 ( 5.572 3.790 0.160) 6.741 15.580 ( -0.303 -0.368 -0.110) 0.489 15.702 ( -2.200 0.536 4.256) 4.821 15.773 ( -2.773 -5.974 -4.445) 7.946 16.015 ( -0.562 -0.711 -0.022) 0.906 ======================= Grid point 479 (96/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.382 2.864 2.248) 3.661 1.373 ( 2.516 2.090 -1.040) 3.433 1.400 ( -6.339 2.114 5.147) 8.435 1.630 ( -3.803 -3.738 -2.411) 5.852 1.802 ( 7.895 -3.568 -5.806) 10.429 2.079 ( -0.966 -4.340 1.155) 4.594 2.213 ( -0.503 1.610 -1.569) 2.304 2.282 ( 0.175 2.157 0.070) 2.165 2.327 ( -1.992 3.613 0.386) 4.143 2.408 ( 3.792 3.035 2.293) 5.371 2.485 ( 1.975 -0.533 -0.111) 2.049 2.847 ( 2.428 2.641 0.042) 3.588 3.872 ( -1.554 0.815 -0.156) 1.761 4.021 ( 1.273 -0.509 0.075) 1.372 5.170 ( 1.594 1.734 -0.014) 2.356 6.209 ( -0.819 -0.478 0.169) 0.963 6.867 ( -1.857 0.802 0.127) 2.026 7.023 ( 2.981 -2.748 -0.124) 4.057 7.219 ( 1.187 2.214 0.005) 2.512 7.443 ( -3.912 2.046 -1.338) 4.613 7.689 ( 4.819 1.037 1.339) 5.108 13.305 ( -1.454 3.114 0.163) 3.441 13.685 ( 5.304 0.028 0.286) 5.312 15.516 ( -4.015 -4.760 0.738) 6.271 15.612 ( -2.451 1.779 0.547) 3.078 15.791 ( 2.418 -0.344 -1.697) 2.974 16.000 ( -0.360 -0.520 0.007) 0.632 ======================= Grid point 481 (97/100) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -2.954 5.116 0.000) 5.908 1.332 ( -0.816 1.414 0.000) 1.633 1.443 ( -0.955 1.653 0.000) 1.909 1.549 ( 0.732 -1.268 0.000) 1.465 1.867 ( 2.565 -4.443 0.000) 5.130 2.032 ( 3.938 -6.821 -0.000) 7.876 2.220 ( -1.131 1.959 0.000) 2.262 2.295 ( -1.387 2.402 0.000) 2.773 2.325 ( -2.664 4.614 0.000) 5.328 2.480 ( -0.068 0.118 -0.000) 0.136 2.482 ( 0.887 -1.537 0.000) 1.775 2.884 ( -0.325 0.563 0.000) 0.650 3.862 ( -0.959 1.661 0.000) 1.918 4.030 ( 0.684 -1.185 0.000) 1.368 5.194 ( -0.251 0.434 0.000) 0.501 6.200 ( -0.129 0.223 0.000) 0.258 6.854 ( -0.731 1.266 0.000) 1.462 7.036 ( 1.757 -3.044 0.000) 3.515 7.242 ( 0.281 -0.487 0.000) 0.562 7.417 ( -2.696 4.670 0.000) 5.392 7.737 ( 1.017 -1.761 0.000) 2.033 13.308 ( -2.039 3.531 0.000) 4.077 13.735 ( 2.017 -3.493 0.000) 4.033 15.447 ( 0.545 -0.943 0.000) 1.089 15.605 ( -1.324 2.293 0.000) 2.647 15.812 ( 0.819 -1.418 0.000) 1.637 15.994 ( 0.125 -0.216 0.000) 0.249 ======================= Grid point 497 (98/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 1.480 2.563 0.000) 2.960 1.360 ( 1.399 2.423 0.000) 2.798 1.564 ( -0.560 -0.970 0.000) 1.120 1.602 ( -0.549 -0.951 0.000) 1.098 1.661 ( -1.391 -2.409 0.000) 2.782 2.066 ( -3.585 -6.210 0.000) 7.171 2.258 ( 1.412 2.446 -0.000) 2.825 2.261 ( 1.385 2.399 0.000) 2.770 2.365 ( 1.925 3.334 0.000) 3.850 2.411 ( 2.105 3.646 0.000) 4.210 2.443 ( 0.051 0.089 0.000) 0.103 2.839 ( 2.054 3.558 0.000) 4.109 3.897 ( 0.188 0.326 0.000) 0.376 4.001 ( -0.055 -0.095 0.000) 0.110 5.164 ( 1.377 2.384 0.000) 2.753 6.214 ( -0.502 -0.870 0.000) 1.004 6.910 ( -0.321 -0.556 0.000) 0.642 6.958 ( -0.025 -0.044 0.000) 0.051 7.221 ( 0.823 1.426 0.000) 1.647 7.511 ( 0.218 0.378 0.000) 0.436 7.629 ( 2.050 3.550 0.000) 4.099 13.347 ( 1.656 2.868 0.000) 3.312 13.622 ( 1.024 1.774 0.000) 2.048 15.526 ( -2.940 -5.092 0.000) 5.880 15.663 ( -0.538 -0.932 0.000) 1.076 15.753 ( 0.647 1.121 0.000) 1.295 16.001 ( -0.384 -0.666 0.000) 0.769 ======================= Grid point 499 (99/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 1.584 4.752 -0.524) 5.036 1.403 ( -1.474 1.438 1.433) 2.509 1.492 ( -2.478 3.869 1.284) 4.770 1.560 ( -4.433 -0.782 0.317) 4.512 1.725 ( 8.536 -3.359 -4.019) 10.015 1.923 ( -2.156 -9.555 1.543) 9.916 2.276 ( -1.552 3.512 -0.423) 3.863 2.323 ( 1.475 1.694 0.029) 2.246 2.405 ( -1.690 2.224 -0.213) 2.801 2.442 ( 1.413 0.092 0.750) 1.602 2.476 ( 1.328 0.641 -0.112) 1.479 2.890 ( 0.697 1.451 0.009) 1.609 3.904 ( -0.979 2.169 -0.038) 2.380 3.998 ( 0.839 -1.762 0.024) 1.952 5.200 ( 0.468 1.083 -0.003) 1.180 6.205 ( -0.193 0.072 0.029) 0.208 6.892 ( -1.600 1.512 0.058) 2.202 6.970 ( 2.039 -2.392 -0.063) 3.144 7.231 ( 0.181 -0.389 0.011) 0.429 7.521 ( -2.332 4.863 -0.379) 5.407 7.680 ( 2.561 -1.841 0.375) 3.176 13.398 ( -1.494 5.736 0.018) 5.928 13.640 ( 2.690 -4.277 0.065) 5.053 15.436 ( -1.399 -2.790 0.097) 3.123 15.663 ( -1.414 2.929 0.206) 3.259 15.770 ( 1.553 -1.711 -0.384) 2.342 15.991 ( -0.101 -0.388 0.006) 0.401 ======================= Grid point 517 (100/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.414 -0.829 0.000) 0.927 1.420 ( 0.414 0.829 0.000) 0.927 1.455 ( 0.000 -0.000 0.000) 0.000 1.680 ( -1.494 -2.987 0.000) 3.340 1.680 ( 1.494 2.987 0.000) 3.340 1.748 ( 0.000 0.000 0.000) 0.000 2.320 ( -0.000 -0.000 0.000) 0.000 2.369 ( -1.414 -2.828 0.000) 3.162 2.369 ( 1.414 2.828 0.000) 3.162 2.476 ( -0.555 -1.109 0.000) 1.240 2.476 ( 0.555 1.109 0.000) 1.240 2.905 ( -0.000 -0.000 0.000) 0.000 3.953 ( -1.103 -2.205 0.000) 2.466 3.953 ( 1.103 2.205 0.000) 2.466 5.211 ( -0.000 -0.000 0.000) 0.000 6.207 ( -0.000 -0.000 0.000) 0.000 6.927 ( -0.844 -1.688 0.000) 1.887 6.927 ( 0.844 1.688 0.000) 1.887 7.225 ( -0.000 -0.000 0.000) 0.000 7.617 ( -1.862 -3.724 0.000) 4.164 7.617 ( 1.862 3.724 0.000) 4.164 13.526 ( -2.862 -5.725 0.000) 6.400 13.526 ( 2.862 5.725 0.000) 6.400 15.407 ( -0.000 -0.000 0.000) 0.000 15.723 ( -1.253 -2.506 0.000) 2.802 15.723 ( 1.253 2.506 0.000) 2.802 15.986 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21870 10.0 67.174 67.174 49.932 0.000 -0.000 0.000 3/21870 20.0 15.084 15.084 9.940 0.000 -0.000 0.000 3/21870 30.0 8.721 8.721 5.528 0.000 -0.000 0.000 3/21870 40.0 6.230 6.230 3.955 0.000 -0.000 0.000 3/21870 50.0 4.849 4.849 3.126 0.000 -0.000 0.000 3/21870 60.0 3.977 3.977 2.613 0.000 -0.000 0.000 3/21870 70.0 3.384 3.384 2.263 0.000 -0.000 0.000 3/21870 80.0 2.957 2.957 2.010 0.000 -0.000 0.000 3/21870 90.0 2.634 2.634 1.816 0.000 -0.000 0.000 3/21870 100.0 2.381 2.381 1.663 0.000 -0.000 0.000 3/21870 110.0 2.176 2.176 1.539 0.000 -0.000 0.000 3/21870 120.0 2.008 2.008 1.436 0.000 -0.000 0.000 3/21870 130.0 1.865 1.865 1.349 0.000 -0.000 0.000 3/21870 140.0 1.744 1.744 1.274 0.000 -0.000 0.000 3/21870 150.0 1.638 1.638 1.209 0.000 -0.000 0.000 3/21870 160.0 1.545 1.545 1.152 0.000 -0.000 0.000 3/21870 170.0 1.463 1.463 1.101 0.000 -0.000 0.000 3/21870 180.0 1.390 1.390 1.055 0.000 -0.000 0.000 3/21870 190.0 1.324 1.324 1.014 0.000 -0.000 0.000 3/21870 200.0 1.264 1.264 0.976 0.000 -0.000 0.000 3/21870 210.0 1.210 1.210 0.942 0.000 -0.000 0.000 3/21870 220.0 1.160 1.160 0.909 0.000 -0.000 0.000 3/21870 230.0 1.114 1.114 0.880 0.000 -0.000 0.000 3/21870 240.0 1.072 1.072 0.852 0.000 -0.000 0.000 3/21870 250.0 1.033 1.033 0.826 0.000 -0.000 0.000 3/21870 260.0 0.996 0.996 0.801 0.000 -0.000 0.000 3/21870 270.0 0.963 0.963 0.778 0.000 -0.000 0.000 3/21870 280.0 0.931 0.931 0.756 0.000 -0.000 0.000 3/21870 290.0 0.901 0.901 0.736 0.000 -0.000 0.000 3/21870 300.0 0.874 0.874 0.716 0.000 -0.000 0.000 3/21870 310.0 0.847 0.847 0.698 0.000 -0.000 0.000 3/21870 320.0 0.823 0.823 0.680 0.000 -0.000 0.000 3/21870 330.0 0.800 0.800 0.663 0.000 -0.000 0.000 3/21870 340.0 0.778 0.778 0.647 0.000 -0.000 0.000 3/21870 350.0 0.757 0.757 0.632 0.000 -0.000 0.000 3/21870 360.0 0.737 0.737 0.617 0.000 -0.000 0.000 3/21870 370.0 0.718 0.718 0.603 0.000 -0.000 0.000 3/21870 380.0 0.700 0.700 0.590 0.000 -0.000 0.000 3/21870 390.0 0.684 0.684 0.577 0.000 -0.000 0.000 3/21870 400.0 0.667 0.667 0.564 0.000 -0.000 0.000 3/21870 410.0 0.652 0.652 0.553 0.000 -0.000 0.000 3/21870 420.0 0.637 0.637 0.541 0.000 -0.000 0.000 3/21870 430.0 0.623 0.623 0.530 0.000 -0.000 0.000 3/21870 440.0 0.610 0.610 0.520 0.000 -0.000 0.000 3/21870 450.0 0.597 0.597 0.510 0.000 -0.000 0.000 3/21870 460.0 0.584 0.584 0.500 0.000 -0.000 0.000 3/21870 470.0 0.572 0.572 0.490 0.000 -0.000 0.000 3/21870 480.0 0.561 0.561 0.481 0.000 -0.000 0.000 3/21870 490.0 0.550 0.550 0.473 0.000 -0.000 0.000 3/21870 500.0 0.539 0.539 0.464 0.000 -0.000 0.000 3/21870 510.0 0.529 0.529 0.456 0.000 -0.000 0.000 3/21870 520.0 0.519 0.519 0.448 0.000 -0.000 0.000 3/21870 530.0 0.510 0.510 0.440 0.000 -0.000 0.000 3/21870 540.0 0.501 0.501 0.433 0.000 -0.000 0.000 3/21870 550.0 0.492 0.492 0.426 0.000 -0.000 0.000 3/21870 560.0 0.483 0.483 0.419 0.000 -0.000 0.000 3/21870 570.0 0.475 0.475 0.412 0.000 -0.000 0.000 3/21870 580.0 0.467 0.467 0.406 0.000 -0.000 0.000 3/21870 590.0 0.460 0.460 0.399 0.000 -0.000 0.000 3/21870 600.0 0.452 0.452 0.393 0.000 -0.000 0.000 3/21870 610.0 0.445 0.445 0.387 0.000 -0.000 0.000 3/21870 620.0 0.438 0.438 0.381 0.000 -0.000 0.000 3/21870 630.0 0.431 0.431 0.376 0.000 -0.000 0.000 3/21870 640.0 0.425 0.425 0.370 0.000 -0.000 0.000 3/21870 650.0 0.418 0.418 0.365 0.000 -0.000 0.000 3/21870 660.0 0.412 0.412 0.360 0.000 -0.000 0.000 3/21870 670.0 0.406 0.406 0.355 0.000 -0.000 0.000 3/21870 680.0 0.400 0.400 0.350 0.000 -0.000 0.000 3/21870 690.0 0.395 0.395 0.345 0.000 -0.000 0.000 3/21870 700.0 0.389 0.389 0.341 0.000 -0.000 0.000 3/21870 710.0 0.384 0.384 0.336 0.000 -0.000 0.000 3/21870 720.0 0.379 0.379 0.332 0.000 -0.000 0.000 3/21870 730.0 0.373 0.373 0.327 0.000 -0.000 0.000 3/21870 740.0 0.368 0.368 0.323 0.000 -0.000 0.000 3/21870 750.0 0.364 0.364 0.319 0.000 -0.000 0.000 3/21870 760.0 0.359 0.359 0.315 0.000 -0.000 0.000 3/21870 770.0 0.354 0.354 0.311 0.000 -0.000 0.000 3/21870 780.0 0.350 0.350 0.308 0.000 -0.000 0.000 3/21870 790.0 0.346 0.346 0.304 0.000 -0.000 0.000 3/21870 800.0 0.341 0.341 0.300 0.000 -0.000 0.000 3/21870 810.0 0.337 0.337 0.297 0.000 -0.000 0.000 3/21870 820.0 0.333 0.333 0.293 0.000 -0.000 0.000 3/21870 830.0 0.329 0.329 0.290 0.000 -0.000 0.000 3/21870 840.0 0.325 0.325 0.287 0.000 -0.000 0.000 3/21870 850.0 0.322 0.322 0.283 0.000 -0.000 0.000 3/21870 860.0 0.318 0.318 0.280 0.000 -0.000 0.000 3/21870 870.0 0.314 0.314 0.277 0.000 -0.000 0.000 3/21870 880.0 0.311 0.311 0.274 0.000 -0.000 0.000 3/21870 890.0 0.307 0.307 0.271 0.000 -0.000 0.000 3/21870 900.0 0.304 0.304 0.268 0.000 -0.000 0.000 3/21870 910.0 0.301 0.301 0.265 0.000 -0.000 0.000 3/21870 920.0 0.297 0.297 0.263 0.000 -0.000 0.000 3/21870 930.0 0.294 0.294 0.260 0.000 -0.000 0.000 3/21870 940.0 0.291 0.291 0.257 0.000 -0.000 0.000 3/21870 950.0 0.288 0.288 0.255 0.000 -0.000 0.000 3/21870 960.0 0.285 0.285 0.252 0.000 -0.000 0.000 3/21870 970.0 0.282 0.282 0.250 0.000 -0.000 0.000 3/21870 980.0 0.280 0.280 0.247 0.000 -0.000 0.000 3/21870 990.0 0.277 0.277 0.245 0.000 -0.000 0.000 3/21870 1000.0 0.274 0.274 0.242 0.000 -0.000 0.000 3/21870 Thermal conductivity related properties were written into "kappa-m9910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:20:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|