----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:33:04]------------------------- Compiled with OpenMP support (max 48 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.616126889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.679784530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.757306110000000 Atomic positions (fractional): *1 O 0.87604784505783 0.75000000000000 0.72526839892724 15.999 2 O 0.62395215494217 0.25000000000000 0.22526839892724 15.999 3 O 0.12395215494217 0.25000000000000 0.27473160107276 15.999 4 O 0.37604784505783 0.75000000000000 0.77473160107276 15.999 *5 O 0.64680252774545 0.75000000000000 0.03697205094538 15.999 6 O 0.85319747225455 0.25000000000000 0.53697205094538 15.999 7 O 0.35319747225455 0.25000000000000 0.96302794905462 15.999 8 O 0.14680252774545 0.75000000000000 0.46302794905462 15.999 *9 O 0.37499663796194 0.93297402980927 0.33786584883007 15.999 10 O 0.12500336203806 0.06702597019074 0.83786584883007 15.999 11 O 0.62500336203806 0.43297402980927 0.66213415116993 15.999 12 O 0.87499663796194 0.56702597019073 0.16213415116993 15.999 13 O 0.62500336203806 0.06702597019074 0.66213415116993 15.999 14 O 0.87499663796194 0.93297402980927 0.16213415116993 15.999 15 O 0.37499663796194 0.56702597019073 0.33786584883007 15.999 16 O 0.12500336203806 0.43297402980927 0.83786584883007 15.999 *17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 18 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 19 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 *21 S 0.32136883786716 0.75000000000000 0.47698784077744 32.065 22 S 0.17863116213284 0.25000000000000 0.97698784077744 32.065 23 S 0.67863116213284 0.25000000000000 0.52301215922256 32.065 24 S 0.82136883786716 0.75000000000000 0.02301215922256 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.616126889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.679784530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.757306110000000 Atomic positions (fractional): *1 O 0.87604784505783 0.75000000000000 0.72526839892724 15.999 > 1 2 O 0.62395215494217 0.25000000000000 0.22526839892724 15.999 > 2 3 O 0.12395215494217 0.25000000000000 0.27473160107276 15.999 > 3 4 O 0.37604784505783 0.75000000000000 0.77473160107276 15.999 > 4 *5 O 0.64680252774545 0.75000000000000 0.03697205094538 15.999 > 5 6 O 0.85319747225455 0.25000000000000 0.53697205094538 15.999 > 6 7 O 0.35319747225455 0.25000000000000 0.96302794905462 15.999 > 7 8 O 0.14680252774545 0.75000000000000 0.46302794905462 15.999 > 8 *9 O 0.37499663796194 0.93297402980927 0.33786584883007 15.999 > 9 10 O 0.12500336203806 0.06702597019074 0.83786584883007 15.999 > 10 11 O 0.62500336203806 0.43297402980927 0.66213415116993 15.999 > 11 12 O 0.87499663796194 0.56702597019073 0.16213415116993 15.999 > 12 13 O 0.62500336203806 0.06702597019074 0.66213415116993 15.999 > 13 14 O 0.87499663796194 0.93297402980927 0.16213415116993 15.999 > 14 15 O 0.37499663796194 0.56702597019073 0.33786584883007 15.999 > 15 16 O 0.12500336203806 0.43297402980927 0.83786584883007 15.999 > 16 *17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 17 18 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 18 19 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 19 20 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 20 *21 S 0.32136883786716 0.75000000000000 0.47698784077744 32.065 > 21 22 S 0.17863116213284 0.25000000000000 0.97698784077744 32.065 > 22 23 S 0.67863116213284 0.25000000000000 0.52301215922256 32.065 > 23 24 S 0.82136883786716 0.75000000000000 0.02301215922256 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.616126889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.359569060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.514612220000000 Atomic positions (fractional): *1 O 0.87604784505783 0.37500000000000 0.36263419946362 15.999 > 1 2 O 0.87604784505783 0.87500000000000 0.36263419946362 15.999 > 1 3 O 0.87604784505783 0.37500000000000 0.86263419946362 15.999 > 1 4 O 0.87604784505783 0.87500000000000 0.86263419946362 15.999 > 1 5 O 0.62395215494217 0.12500000000000 0.11263419946362 15.999 > 2 6 O 0.62395215494217 0.62500000000000 0.11263419946362 15.999 > 2 7 O 0.62395215494217 0.12500000000000 0.61263419946362 15.999 > 2 8 O 0.62395215494217 0.62500000000000 0.61263419946362 15.999 > 2 9 O 0.12395215494217 0.12500000000000 0.13736580053638 15.999 > 3 10 O 0.12395215494217 0.62500000000000 0.13736580053638 15.999 > 3 11 O 0.12395215494217 0.12500000000000 0.63736580053638 15.999 > 3 12 O 0.12395215494217 0.62500000000000 0.63736580053638 15.999 > 3 13 O 0.37604784505783 0.37500000000000 0.38736580053638 15.999 > 4 14 O 0.37604784505783 0.87500000000000 0.38736580053638 15.999 > 4 15 O 0.37604784505783 0.37500000000000 0.88736580053638 15.999 > 4 16 O 0.37604784505783 0.87500000000000 0.88736580053638 15.999 > 4 *17 O 0.64680252774545 0.37500000000000 0.01848602547269 15.999 > 5 18 O 0.64680252774545 0.87500000000000 0.01848602547269 15.999 > 5 19 O 0.64680252774545 0.37500000000000 0.51848602547269 15.999 > 5 20 O 0.64680252774545 0.87500000000000 0.51848602547269 15.999 > 5 21 O 0.85319747225455 0.12500000000000 0.26848602547269 15.999 > 6 22 O 0.85319747225455 0.62500000000000 0.26848602547269 15.999 > 6 23 O 0.85319747225455 0.12500000000000 0.76848602547269 15.999 > 6 24 O 0.85319747225455 0.62500000000000 0.76848602547269 15.999 > 6 25 O 0.35319747225455 0.12500000000000 0.48151397452731 15.999 > 7 26 O 0.35319747225455 0.62500000000000 0.48151397452731 15.999 > 7 27 O 0.35319747225455 0.12500000000000 0.98151397452731 15.999 > 7 28 O 0.35319747225455 0.62500000000000 0.98151397452731 15.999 > 7 29 O 0.14680252774545 0.37500000000000 0.23151397452731 15.999 > 8 30 O 0.14680252774545 0.87500000000000 0.23151397452731 15.999 > 8 31 O 0.14680252774545 0.37500000000000 0.73151397452731 15.999 > 8 32 O 0.14680252774545 0.87500000000000 0.73151397452731 15.999 > 8 *33 O 0.37499663796194 0.46648701490463 0.16893292441503 15.999 > 9 34 O 0.37499663796194 0.96648701490463 0.16893292441503 15.999 > 9 35 O 0.37499663796194 0.46648701490463 0.66893292441503 15.999 > 9 36 O 0.37499663796194 0.96648701490463 0.66893292441503 15.999 > 9 37 O 0.12500336203806 0.03351298509537 0.41893292441503 15.999 > 10 38 O 0.12500336203806 0.53351298509537 0.41893292441503 15.999 > 10 39 O 0.12500336203806 0.03351298509537 0.91893292441503 15.999 > 10 40 O 0.12500336203806 0.53351298509537 0.91893292441503 15.999 > 10 41 O 0.62500336203806 0.21648701490463 0.33106707558497 15.999 > 11 42 O 0.62500336203806 0.71648701490463 0.33106707558497 15.999 > 11 43 O 0.62500336203806 0.21648701490463 0.83106707558497 15.999 > 11 44 O 0.62500336203806 0.71648701490463 0.83106707558497 15.999 > 11 45 O 0.87499663796194 0.28351298509537 0.08106707558497 15.999 > 12 46 O 0.87499663796194 0.78351298509537 0.08106707558497 15.999 > 12 47 O 0.87499663796194 0.28351298509537 0.58106707558497 15.999 > 12 48 O 0.87499663796194 0.78351298509537 0.58106707558497 15.999 > 12 49 O 0.62500336203806 0.03351298509537 0.33106707558497 15.999 > 13 50 O 0.62500336203806 0.53351298509537 0.33106707558497 15.999 > 13 51 O 0.62500336203806 0.03351298509537 0.83106707558497 15.999 > 13 52 O 0.62500336203806 0.53351298509537 0.83106707558497 15.999 > 13 53 O 0.87499663796194 0.46648701490463 0.08106707558497 15.999 > 14 54 O 0.87499663796194 0.96648701490463 0.08106707558497 15.999 > 14 55 O 0.87499663796194 0.46648701490463 0.58106707558497 15.999 > 14 56 O 0.87499663796194 0.96648701490463 0.58106707558497 15.999 > 14 57 O 0.37499663796194 0.28351298509537 0.16893292441503 15.999 > 15 58 O 0.37499663796194 0.78351298509537 0.16893292441503 15.999 > 15 59 O 0.37499663796194 0.28351298509537 0.66893292441503 15.999 > 15 60 O 0.37499663796194 0.78351298509537 0.66893292441503 15.999 > 15 61 O 0.12500336203806 0.21648701490463 0.41893292441503 15.999 > 16 62 O 0.12500336203806 0.71648701490463 0.41893292441503 15.999 > 16 63 O 0.12500336203806 0.21648701490463 0.91893292441503 15.999 > 16 64 O 0.12500336203806 0.71648701490463 0.91893292441503 15.999 > 16 *65 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 17 66 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 17 67 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 17 68 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 17 69 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 18 70 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 18 71 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 18 72 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 18 73 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 19 74 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 19 75 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 19 76 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 19 77 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 20 78 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 20 79 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 20 80 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 20 *81 S 0.32136883786716 0.37500000000000 0.23849392038872 32.065 > 21 82 S 0.32136883786716 0.87500000000000 0.23849392038872 32.065 > 21 83 S 0.32136883786716 0.37500000000000 0.73849392038872 32.065 > 21 84 S 0.32136883786716 0.87500000000000 0.73849392038872 32.065 > 21 85 S 0.17863116213284 0.12500000000000 0.48849392038872 32.065 > 22 86 S 0.17863116213284 0.62500000000000 0.48849392038872 32.065 > 22 87 S 0.17863116213284 0.12500000000000 0.98849392038872 32.065 > 22 88 S 0.17863116213284 0.62500000000000 0.98849392038872 32.065 > 22 89 S 0.67863116213284 0.12500000000000 0.26150607961128 32.065 > 23 90 S 0.67863116213284 0.62500000000000 0.26150607961128 32.065 > 23 91 S 0.67863116213284 0.12500000000000 0.76150607961128 32.065 > 23 92 S 0.67863116213284 0.62500000000000 0.76150607961128 32.065 > 23 93 S 0.82136883786716 0.37500000000000 0.01150607961128 32.065 > 24 94 S 0.82136883786716 0.87500000000000 0.01150607961128 32.065 > 24 95 S 0.82136883786716 0.37500000000000 0.51150607961128 32.065 > 24 96 S 0.82136883786716 0.87500000000000 0.51150607961128 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5935170 0.0000000 0.0000000 0.0000000 2.5782282 0.0000000 0.0000000 0.0000000 2.6015045 -------------------------- Born effective charges -------------------------- 1 O -1.1699832 0.0000000 0.6206524 0.0000000 -1.1575163 0.0000000 0.5308818 0.0000000 -2.1591073 2 O -1.1699832 0.0000000 -0.6206524 0.0000000 -1.1575163 0.0000000 -0.5308818 0.0000000 -2.1591073 3 O -1.1699832 0.0000000 0.6206524 0.0000000 -1.1575163 0.0000000 0.5308818 0.0000000 -2.1591073 4 O -1.1699832 0.0000000 -0.6206524 0.0000000 -1.1575163 0.0000000 -0.5308818 0.0000000 -2.1591073 5 O -2.4947526 0.0000000 0.0622479 0.0000000 -1.2372035 0.0000000 -0.0482124 0.0000000 -0.9263811 6 O -2.4947526 0.0000000 -0.0622479 0.0000000 -1.2372035 0.0000000 0.0482124 0.0000000 -0.9263811 7 O -2.4947526 0.0000000 0.0622479 0.0000000 -1.2372035 0.0000000 -0.0482124 0.0000000 -0.9263811 8 O -2.4947526 0.0000000 -0.0622479 0.0000000 -1.2372035 0.0000000 0.0482124 0.0000000 -0.9263811 9 O -1.1319085 -0.3245514 0.2907639 -0.3414063 -1.6404990 0.5268253 0.3378262 0.5197825 -1.4225030 10 O -1.1319085 -0.3245514 -0.2907639 -0.3414063 -1.6404990 -0.5268253 -0.3378262 -0.5197825 -1.4225030 11 O -1.1319085 0.3245514 0.2907639 0.3414063 -1.6404990 -0.5268253 0.3378262 -0.5197825 -1.4225030 12 O -1.1319085 0.3245514 -0.2907639 0.3414063 -1.6404990 0.5268253 -0.3378262 0.5197825 -1.4225030 13 O -1.1319085 -0.3245514 0.2907639 -0.3414063 -1.6404990 0.5268253 0.3378262 0.5197825 -1.4225030 14 O -1.1319085 -0.3245514 -0.2907639 -0.3414063 -1.6404990 -0.5268253 -0.3378262 -0.5197825 -1.4225030 15 O -1.1319085 0.3245514 0.2907639 0.3414063 -1.6404990 -0.5268253 0.3378262 -0.5197825 -1.4225030 16 O -1.1319085 0.3245514 -0.2907639 0.3414063 -1.6404990 0.5268253 -0.3378262 0.5197825 -1.4225030 17 Mg 2.3786778 -0.2099105 0.0582904 0.1775637 2.2293683 0.2115227 0.0141946 -0.2838221 2.3232182 18 Mg 2.3786778 -0.2099105 -0.0582904 0.1775637 2.2293683 -0.2115227 -0.0141946 0.2838221 2.3232182 19 Mg 2.3786778 0.2099105 0.0582904 -0.1775637 2.2293683 -0.2115227 0.0141946 0.2838221 2.3232182 20 Mg 2.3786778 0.2099105 -0.0582904 -0.1775637 2.2293683 0.2115227 -0.0141946 -0.2838221 2.3232182 21 S 3.5498750 0.0000000 0.1464610 0.0000000 3.4463494 0.0000000 -0.1539457 0.0000000 3.6072760 22 S 3.5498750 0.0000000 -0.1464610 0.0000000 3.4463494 0.0000000 0.1539457 0.0000000 3.6072760 23 S 3.5498750 0.0000000 0.1464610 0.0000000 3.4463494 0.0000000 -0.1539457 0.0000000 3.6072760 24 S 3.5498750 0.0000000 -0.1464610 0.0000000 3.4463494 0.0000000 0.1539457 0.0000000 3.6072760 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1413 Number of blocks in projector: 1413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.265 Solver_block: 200 / 400 - Time: 0.245 Solver_block: 300 / 400 - Time: 0.246 Solver_block: 400 / 400 - Time: 0.246 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.027 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1413 Number of blocks in projector: 1413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:33:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:33:17]------------------------- Compiled with OpenMP support (max 48 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.616126889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.679784530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.757306110000000 Atomic positions (fractional): 1 O 0.87604784505783 0.75000000000000 0.72526839892724 15.999 2 O 0.62395215494217 0.25000000000000 0.22526839892724 15.999 3 O 0.12395215494217 0.25000000000000 0.27473160107276 15.999 4 O 0.37604784505783 0.75000000000000 0.77473160107276 15.999 5 O 0.64680252774545 0.75000000000000 0.03697205094538 15.999 6 O 0.85319747225455 0.25000000000000 0.53697205094538 15.999 7 O 0.35319747225455 0.25000000000000 0.96302794905462 15.999 8 O 0.14680252774545 0.75000000000000 0.46302794905462 15.999 9 O 0.37499663796194 0.93297402980927 0.33786584883007 15.999 10 O 0.12500336203806 0.06702597019074 0.83786584883007 15.999 11 O 0.62500336203806 0.43297402980927 0.66213415116993 15.999 12 O 0.87499663796194 0.56702597019073 0.16213415116993 15.999 13 O 0.62500336203806 0.06702597019074 0.66213415116993 15.999 14 O 0.87499663796194 0.93297402980927 0.16213415116993 15.999 15 O 0.37499663796194 0.56702597019073 0.33786584883007 15.999 16 O 0.12500336203806 0.43297402980927 0.83786584883007 15.999 17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 18 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 19 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 21 S 0.32136883786716 0.75000000000000 0.47698784077744 32.065 22 S 0.17863116213284 0.25000000000000 0.97698784077744 32.065 23 S 0.67863116213284 0.25000000000000 0.52301215922256 32.065 24 S 0.82136883786716 0.75000000000000 0.02301215922256 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.616126889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.359569060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.514612220000000 Atomic positions (fractional): 1 O 0.87604784505783 0.37500000000000 0.36263419946362 15.999 > 1 2 O 0.87604784505783 0.87500000000000 0.36263419946362 15.999 > 1 3 O 0.87604784505783 0.37500000000000 0.86263419946362 15.999 > 1 4 O 0.87604784505783 0.87500000000000 0.86263419946362 15.999 > 1 5 O 0.62395215494217 0.12500000000000 0.11263419946362 15.999 > 5 6 O 0.62395215494217 0.62500000000000 0.11263419946362 15.999 > 5 7 O 0.62395215494217 0.12500000000000 0.61263419946362 15.999 > 5 8 O 0.62395215494217 0.62500000000000 0.61263419946362 15.999 > 5 9 O 0.12395215494217 0.12500000000000 0.13736580053638 15.999 > 9 10 O 0.12395215494217 0.62500000000000 0.13736580053638 15.999 > 9 11 O 0.12395215494217 0.12500000000000 0.63736580053638 15.999 > 9 12 O 0.12395215494217 0.62500000000000 0.63736580053638 15.999 > 9 13 O 0.37604784505783 0.37500000000000 0.38736580053638 15.999 > 13 14 O 0.37604784505783 0.87500000000000 0.38736580053638 15.999 > 13 15 O 0.37604784505783 0.37500000000000 0.88736580053638 15.999 > 13 16 O 0.37604784505783 0.87500000000000 0.88736580053638 15.999 > 13 17 O 0.64680252774545 0.37500000000000 0.01848602547269 15.999 > 17 18 O 0.64680252774545 0.87500000000000 0.01848602547269 15.999 > 17 19 O 0.64680252774545 0.37500000000000 0.51848602547269 15.999 > 17 20 O 0.64680252774545 0.87500000000000 0.51848602547269 15.999 > 17 21 O 0.85319747225455 0.12500000000000 0.26848602547269 15.999 > 21 22 O 0.85319747225455 0.62500000000000 0.26848602547269 15.999 > 21 23 O 0.85319747225455 0.12500000000000 0.76848602547269 15.999 > 21 24 O 0.85319747225455 0.62500000000000 0.76848602547269 15.999 > 21 25 O 0.35319747225455 0.12500000000000 0.48151397452731 15.999 > 25 26 O 0.35319747225455 0.62500000000000 0.48151397452731 15.999 > 25 27 O 0.35319747225455 0.12500000000000 0.98151397452731 15.999 > 25 28 O 0.35319747225455 0.62500000000000 0.98151397452731 15.999 > 25 29 O 0.14680252774545 0.37500000000000 0.23151397452731 15.999 > 29 30 O 0.14680252774545 0.87500000000000 0.23151397452731 15.999 > 29 31 O 0.14680252774545 0.37500000000000 0.73151397452731 15.999 > 29 32 O 0.14680252774545 0.87500000000000 0.73151397452731 15.999 > 29 33 O 0.37499663796194 0.46648701490463 0.16893292441503 15.999 > 33 34 O 0.37499663796194 0.96648701490463 0.16893292441503 15.999 > 33 35 O 0.37499663796194 0.46648701490463 0.66893292441503 15.999 > 33 36 O 0.37499663796194 0.96648701490463 0.66893292441503 15.999 > 33 37 O 0.12500336203806 0.03351298509537 0.41893292441503 15.999 > 37 38 O 0.12500336203806 0.53351298509537 0.41893292441503 15.999 > 37 39 O 0.12500336203806 0.03351298509537 0.91893292441503 15.999 > 37 40 O 0.12500336203806 0.53351298509537 0.91893292441503 15.999 > 37 41 O 0.62500336203806 0.21648701490463 0.33106707558497 15.999 > 41 42 O 0.62500336203806 0.71648701490463 0.33106707558497 15.999 > 41 43 O 0.62500336203806 0.21648701490463 0.83106707558497 15.999 > 41 44 O 0.62500336203806 0.71648701490463 0.83106707558497 15.999 > 41 45 O 0.87499663796194 0.28351298509537 0.08106707558497 15.999 > 45 46 O 0.87499663796194 0.78351298509537 0.08106707558497 15.999 > 45 47 O 0.87499663796194 0.28351298509537 0.58106707558497 15.999 > 45 48 O 0.87499663796194 0.78351298509537 0.58106707558497 15.999 > 45 49 O 0.62500336203806 0.03351298509537 0.33106707558497 15.999 > 49 50 O 0.62500336203806 0.53351298509537 0.33106707558497 15.999 > 49 51 O 0.62500336203806 0.03351298509537 0.83106707558497 15.999 > 49 52 O 0.62500336203806 0.53351298509537 0.83106707558497 15.999 > 49 53 O 0.87499663796194 0.46648701490463 0.08106707558497 15.999 > 53 54 O 0.87499663796194 0.96648701490463 0.08106707558497 15.999 > 53 55 O 0.87499663796194 0.46648701490463 0.58106707558497 15.999 > 53 56 O 0.87499663796194 0.96648701490463 0.58106707558497 15.999 > 53 57 O 0.37499663796194 0.28351298509537 0.16893292441503 15.999 > 57 58 O 0.37499663796194 0.78351298509537 0.16893292441503 15.999 > 57 59 O 0.37499663796194 0.28351298509537 0.66893292441503 15.999 > 57 60 O 0.37499663796194 0.78351298509537 0.66893292441503 15.999 > 57 61 O 0.12500336203806 0.21648701490463 0.41893292441503 15.999 > 61 62 O 0.12500336203806 0.71648701490463 0.41893292441503 15.999 > 61 63 O 0.12500336203806 0.21648701490463 0.91893292441503 15.999 > 61 64 O 0.12500336203806 0.71648701490463 0.91893292441503 15.999 > 61 65 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 65 66 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 65 68 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 65 69 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 69 70 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 69 71 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 69 72 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 69 73 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 73 74 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 73 75 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 73 76 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 73 77 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 77 78 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 77 79 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 77 80 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 77 81 S 0.32136883786716 0.37500000000000 0.23849392038872 32.065 > 81 82 S 0.32136883786716 0.87500000000000 0.23849392038872 32.065 > 81 83 S 0.32136883786716 0.37500000000000 0.73849392038872 32.065 > 81 84 S 0.32136883786716 0.87500000000000 0.73849392038872 32.065 > 81 85 S 0.17863116213284 0.12500000000000 0.48849392038872 32.065 > 85 86 S 0.17863116213284 0.62500000000000 0.48849392038872 32.065 > 85 87 S 0.17863116213284 0.12500000000000 0.98849392038872 32.065 > 85 88 S 0.17863116213284 0.62500000000000 0.98849392038872 32.065 > 85 89 S 0.67863116213284 0.12500000000000 0.26150607961128 32.065 > 89 90 S 0.67863116213284 0.62500000000000 0.26150607961128 32.065 > 89 91 S 0.67863116213284 0.12500000000000 0.76150607961128 32.065 > 89 92 S 0.67863116213284 0.62500000000000 0.76150607961128 32.065 > 89 93 S 0.82136883786716 0.37500000000000 0.01150607961128 32.065 > 93 94 S 0.82136883786716 0.87500000000000 0.01150607961128 32.065 > 93 95 S 0.82136883786716 0.37500000000000 0.51150607961128 32.065 > 93 96 S 0.82136883786716 0.87500000000000 0.51150607961128 32.065 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5935170 0.0000000 0.0000000 0.0000000 2.5782282 0.0000000 0.0000000 0.0000000 2.6015045 -------------------------- Born effective charges -------------------------- 1 O -1.1699832 0.0000000 0.6206524 0.0000000 -1.1575163 0.0000000 0.5308818 0.0000000 -2.1591073 2 O -1.1699832 0.0000000 -0.6206524 0.0000000 -1.1575163 0.0000000 -0.5308818 0.0000000 -2.1591073 3 O -1.1699832 0.0000000 0.6206524 0.0000000 -1.1575163 0.0000000 0.5308818 0.0000000 -2.1591073 4 O -1.1699832 0.0000000 -0.6206524 0.0000000 -1.1575163 0.0000000 -0.5308818 0.0000000 -2.1591073 5 O -2.4947526 0.0000000 0.0622479 0.0000000 -1.2372035 0.0000000 -0.0482124 0.0000000 -0.9263811 6 O -2.4947526 0.0000000 -0.0622479 0.0000000 -1.2372035 0.0000000 0.0482124 0.0000000 -0.9263811 7 O -2.4947526 0.0000000 0.0622479 0.0000000 -1.2372035 0.0000000 -0.0482124 0.0000000 -0.9263811 8 O -2.4947526 0.0000000 -0.0622479 0.0000000 -1.2372035 0.0000000 0.0482124 0.0000000 -0.9263811 9 O -1.1319085 -0.3245514 0.2907639 -0.3414063 -1.6404990 0.5268253 0.3378262 0.5197825 -1.4225030 10 O -1.1319085 -0.3245514 -0.2907639 -0.3414063 -1.6404990 -0.5268253 -0.3378262 -0.5197825 -1.4225030 11 O -1.1319085 0.3245514 0.2907639 0.3414063 -1.6404990 -0.5268253 0.3378262 -0.5197825 -1.4225030 12 O -1.1319085 0.3245514 -0.2907639 0.3414063 -1.6404990 0.5268253 -0.3378262 0.5197825 -1.4225030 13 O -1.1319085 -0.3245514 0.2907639 -0.3414063 -1.6404990 0.5268253 0.3378262 0.5197825 -1.4225030 14 O -1.1319085 -0.3245514 -0.2907639 -0.3414063 -1.6404990 -0.5268253 -0.3378262 -0.5197825 -1.4225030 15 O -1.1319085 0.3245514 0.2907639 0.3414063 -1.6404990 -0.5268253 0.3378262 -0.5197825 -1.4225030 16 O -1.1319085 0.3245514 -0.2907639 0.3414063 -1.6404990 0.5268253 -0.3378262 0.5197825 -1.4225030 17 Mg 2.3786778 -0.2099105 0.0582904 0.1775637 2.2293683 0.2115227 0.0141946 -0.2838221 2.3232182 18 Mg 2.3786778 -0.2099105 -0.0582904 0.1775637 2.2293683 -0.2115227 -0.0141946 0.2838221 2.3232182 19 Mg 2.3786778 0.2099105 0.0582904 -0.1775637 2.2293683 -0.2115227 0.0141946 0.2838221 2.3232182 20 Mg 2.3786778 0.2099105 -0.0582904 -0.1775637 2.2293683 0.2115227 -0.0141946 -0.2838221 2.3232182 21 S 3.5498750 0.0000000 0.1464610 0.0000000 3.4463494 0.0000000 -0.1539457 0.0000000 3.6072760 22 S 3.5498750 0.0000000 -0.1464610 0.0000000 3.4463494 0.0000000 0.1539457 0.0000000 3.6072760 23 S 3.5498750 0.0000000 0.1464610 0.0000000 3.4463494 0.0000000 -0.1539457 0.0000000 3.6072760 24 S 3.5498750 0.0000000 -0.1464610 0.0000000 3.4463494 0.0000000 0.1539457 0.0000000 3.6072760 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000017 (xxx) -0.00000017 (xxx) -0.00000017 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (yx) 0.00000006 (yx) 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 20:33:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:33:30]------------------------- Compiled with OpenMP support (max 48 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.616126889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.679784530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.757306110000000 Atomic positions (fractional): 1 O 0.87604784505783 0.75000000000000 0.72526839892724 15.999 2 O 0.62395215494217 0.25000000000000 0.22526839892724 15.999 3 O 0.12395215494217 0.25000000000000 0.27473160107276 15.999 4 O 0.37604784505783 0.75000000000000 0.77473160107276 15.999 5 O 0.64680252774545 0.75000000000000 0.03697205094538 15.999 6 O 0.85319747225455 0.25000000000000 0.53697205094538 15.999 7 O 0.35319747225455 0.25000000000000 0.96302794905462 15.999 8 O 0.14680252774545 0.75000000000000 0.46302794905462 15.999 9 O 0.37499663796194 0.93297402980927 0.33786584883007 15.999 10 O 0.12500336203806 0.06702597019074 0.83786584883007 15.999 11 O 0.62500336203806 0.43297402980927 0.66213415116993 15.999 12 O 0.87499663796194 0.56702597019073 0.16213415116993 15.999 13 O 0.62500336203806 0.06702597019074 0.66213415116993 15.999 14 O 0.87499663796194 0.93297402980927 0.16213415116993 15.999 15 O 0.37499663796194 0.56702597019073 0.33786584883007 15.999 16 O 0.12500336203806 0.43297402980927 0.83786584883007 15.999 17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 18 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 19 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 21 S 0.32136883786716 0.75000000000000 0.47698784077744 32.065 22 S 0.17863116213284 0.25000000000000 0.97698784077744 32.065 23 S 0.67863116213284 0.25000000000000 0.52301215922256 32.065 24 S 0.82136883786716 0.75000000000000 0.02301215922256 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.616126889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.359569060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.514612220000000 Atomic positions (fractional): 1 O 0.87604784505783 0.37500000000000 0.36263419946362 15.999 > 1 2 O 0.87604784505783 0.87500000000000 0.36263419946362 15.999 > 1 3 O 0.87604784505783 0.37500000000000 0.86263419946362 15.999 > 1 4 O 0.87604784505783 0.87500000000000 0.86263419946362 15.999 > 1 5 O 0.62395215494217 0.12500000000000 0.11263419946362 15.999 > 5 6 O 0.62395215494217 0.62500000000000 0.11263419946362 15.999 > 5 7 O 0.62395215494217 0.12500000000000 0.61263419946362 15.999 > 5 8 O 0.62395215494217 0.62500000000000 0.61263419946362 15.999 > 5 9 O 0.12395215494217 0.12500000000000 0.13736580053638 15.999 > 9 10 O 0.12395215494217 0.62500000000000 0.13736580053638 15.999 > 9 11 O 0.12395215494217 0.12500000000000 0.63736580053638 15.999 > 9 12 O 0.12395215494217 0.62500000000000 0.63736580053638 15.999 > 9 13 O 0.37604784505783 0.37500000000000 0.38736580053638 15.999 > 13 14 O 0.37604784505783 0.87500000000000 0.38736580053638 15.999 > 13 15 O 0.37604784505783 0.37500000000000 0.88736580053638 15.999 > 13 16 O 0.37604784505783 0.87500000000000 0.88736580053638 15.999 > 13 17 O 0.64680252774545 0.37500000000000 0.01848602547269 15.999 > 17 18 O 0.64680252774545 0.87500000000000 0.01848602547269 15.999 > 17 19 O 0.64680252774545 0.37500000000000 0.51848602547269 15.999 > 17 20 O 0.64680252774545 0.87500000000000 0.51848602547269 15.999 > 17 21 O 0.85319747225455 0.12500000000000 0.26848602547269 15.999 > 21 22 O 0.85319747225455 0.62500000000000 0.26848602547269 15.999 > 21 23 O 0.85319747225455 0.12500000000000 0.76848602547269 15.999 > 21 24 O 0.85319747225455 0.62500000000000 0.76848602547269 15.999 > 21 25 O 0.35319747225455 0.12500000000000 0.48151397452731 15.999 > 25 26 O 0.35319747225455 0.62500000000000 0.48151397452731 15.999 > 25 27 O 0.35319747225455 0.12500000000000 0.98151397452731 15.999 > 25 28 O 0.35319747225455 0.62500000000000 0.98151397452731 15.999 > 25 29 O 0.14680252774545 0.37500000000000 0.23151397452731 15.999 > 29 30 O 0.14680252774545 0.87500000000000 0.23151397452731 15.999 > 29 31 O 0.14680252774545 0.37500000000000 0.73151397452731 15.999 > 29 32 O 0.14680252774545 0.87500000000000 0.73151397452731 15.999 > 29 33 O 0.37499663796194 0.46648701490463 0.16893292441503 15.999 > 33 34 O 0.37499663796194 0.96648701490463 0.16893292441503 15.999 > 33 35 O 0.37499663796194 0.46648701490463 0.66893292441503 15.999 > 33 36 O 0.37499663796194 0.96648701490463 0.66893292441503 15.999 > 33 37 O 0.12500336203806 0.03351298509537 0.41893292441503 15.999 > 37 38 O 0.12500336203806 0.53351298509537 0.41893292441503 15.999 > 37 39 O 0.12500336203806 0.03351298509537 0.91893292441503 15.999 > 37 40 O 0.12500336203806 0.53351298509537 0.91893292441503 15.999 > 37 41 O 0.62500336203806 0.21648701490463 0.33106707558497 15.999 > 41 42 O 0.62500336203806 0.71648701490463 0.33106707558497 15.999 > 41 43 O 0.62500336203806 0.21648701490463 0.83106707558497 15.999 > 41 44 O 0.62500336203806 0.71648701490463 0.83106707558497 15.999 > 41 45 O 0.87499663796194 0.28351298509537 0.08106707558497 15.999 > 45 46 O 0.87499663796194 0.78351298509537 0.08106707558497 15.999 > 45 47 O 0.87499663796194 0.28351298509537 0.58106707558497 15.999 > 45 48 O 0.87499663796194 0.78351298509537 0.58106707558497 15.999 > 45 49 O 0.62500336203806 0.03351298509537 0.33106707558497 15.999 > 49 50 O 0.62500336203806 0.53351298509537 0.33106707558497 15.999 > 49 51 O 0.62500336203806 0.03351298509537 0.83106707558497 15.999 > 49 52 O 0.62500336203806 0.53351298509537 0.83106707558497 15.999 > 49 53 O 0.87499663796194 0.46648701490463 0.08106707558497 15.999 > 53 54 O 0.87499663796194 0.96648701490463 0.08106707558497 15.999 > 53 55 O 0.87499663796194 0.46648701490463 0.58106707558497 15.999 > 53 56 O 0.87499663796194 0.96648701490463 0.58106707558497 15.999 > 53 57 O 0.37499663796194 0.28351298509537 0.16893292441503 15.999 > 57 58 O 0.37499663796194 0.78351298509537 0.16893292441503 15.999 > 57 59 O 0.37499663796194 0.28351298509537 0.66893292441503 15.999 > 57 60 O 0.37499663796194 0.78351298509537 0.66893292441503 15.999 > 57 61 O 0.12500336203806 0.21648701490463 0.41893292441503 15.999 > 61 62 O 0.12500336203806 0.71648701490463 0.41893292441503 15.999 > 61 63 O 0.12500336203806 0.21648701490463 0.91893292441503 15.999 > 61 64 O 0.12500336203806 0.71648701490463 0.91893292441503 15.999 > 61 65 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 65 66 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 65 68 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 65 69 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 69 70 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 69 71 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 69 72 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 69 73 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 73 74 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 73 75 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 73 76 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 73 77 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 77 78 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 77 79 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 77 80 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 77 81 S 0.32136883786716 0.37500000000000 0.23849392038872 32.065 > 81 82 S 0.32136883786716 0.87500000000000 0.23849392038872 32.065 > 81 83 S 0.32136883786716 0.37500000000000 0.73849392038872 32.065 > 81 84 S 0.32136883786716 0.87500000000000 0.73849392038872 32.065 > 81 85 S 0.17863116213284 0.12500000000000 0.48849392038872 32.065 > 85 86 S 0.17863116213284 0.62500000000000 0.48849392038872 32.065 > 85 87 S 0.17863116213284 0.12500000000000 0.98849392038872 32.065 > 85 88 S 0.17863116213284 0.62500000000000 0.98849392038872 32.065 > 85 89 S 0.67863116213284 0.12500000000000 0.26150607961128 32.065 > 89 90 S 0.67863116213284 0.62500000000000 0.26150607961128 32.065 > 89 91 S 0.67863116213284 0.12500000000000 0.76150607961128 32.065 > 89 92 S 0.67863116213284 0.62500000000000 0.76150607961128 32.065 > 89 93 S 0.82136883786716 0.37500000000000 0.01150607961128 32.065 > 93 94 S 0.82136883786716 0.87500000000000 0.01150607961128 32.065 > 93 95 S 0.82136883786716 0.37500000000000 0.51150607961128 32.065 > 93 96 S 0.82136883786716 0.87500000000000 0.51150607961128 32.065 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5935170 0.0000000 0.0000000 0.0000000 2.5782282 0.0000000 0.0000000 0.0000000 2.6015045 -------------------------- Born effective charges -------------------------- 1 O -1.1699832 0.0000000 0.6206524 0.0000000 -1.1575163 0.0000000 0.5308818 0.0000000 -2.1591073 2 O -1.1699832 0.0000000 -0.6206524 0.0000000 -1.1575163 0.0000000 -0.5308818 0.0000000 -2.1591073 3 O -1.1699832 0.0000000 0.6206524 0.0000000 -1.1575163 0.0000000 0.5308818 0.0000000 -2.1591073 4 O -1.1699832 0.0000000 -0.6206524 0.0000000 -1.1575163 0.0000000 -0.5308818 0.0000000 -2.1591073 5 O -2.4947526 0.0000000 0.0622479 0.0000000 -1.2372035 0.0000000 -0.0482124 0.0000000 -0.9263811 6 O -2.4947526 0.0000000 -0.0622479 0.0000000 -1.2372035 0.0000000 0.0482124 0.0000000 -0.9263811 7 O -2.4947526 0.0000000 0.0622479 0.0000000 -1.2372035 0.0000000 -0.0482124 0.0000000 -0.9263811 8 O -2.4947526 0.0000000 -0.0622479 0.0000000 -1.2372035 0.0000000 0.0482124 0.0000000 -0.9263811 9 O -1.1319085 -0.3245514 0.2907639 -0.3414063 -1.6404990 0.5268253 0.3378262 0.5197825 -1.4225030 10 O -1.1319085 -0.3245514 -0.2907639 -0.3414063 -1.6404990 -0.5268253 -0.3378262 -0.5197825 -1.4225030 11 O -1.1319085 0.3245514 0.2907639 0.3414063 -1.6404990 -0.5268253 0.3378262 -0.5197825 -1.4225030 12 O -1.1319085 0.3245514 -0.2907639 0.3414063 -1.6404990 0.5268253 -0.3378262 0.5197825 -1.4225030 13 O -1.1319085 -0.3245514 0.2907639 -0.3414063 -1.6404990 0.5268253 0.3378262 0.5197825 -1.4225030 14 O -1.1319085 -0.3245514 -0.2907639 -0.3414063 -1.6404990 -0.5268253 -0.3378262 -0.5197825 -1.4225030 15 O -1.1319085 0.3245514 0.2907639 0.3414063 -1.6404990 -0.5268253 0.3378262 -0.5197825 -1.4225030 16 O -1.1319085 0.3245514 -0.2907639 0.3414063 -1.6404990 0.5268253 -0.3378262 0.5197825 -1.4225030 17 Mg 2.3786778 -0.2099105 0.0582904 0.1775637 2.2293683 0.2115227 0.0141946 -0.2838221 2.3232182 18 Mg 2.3786778 -0.2099105 -0.0582904 0.1775637 2.2293683 -0.2115227 -0.0141946 0.2838221 2.3232182 19 Mg 2.3786778 0.2099105 0.0582904 -0.1775637 2.2293683 -0.2115227 0.0141946 0.2838221 2.3232182 20 Mg 2.3786778 0.2099105 -0.0582904 -0.1775637 2.2293683 0.2115227 -0.0141946 -0.2838221 2.3232182 21 S 3.5498750 0.0000000 0.1464610 0.0000000 3.4463494 0.0000000 -0.1539457 0.0000000 3.6072760 22 S 3.5498750 0.0000000 -0.1464610 0.0000000 3.4463494 0.0000000 0.1539457 0.0000000 3.6072760 23 S 3.5498750 0.0000000 0.1464610 0.0000000 3.4463494 0.0000000 -0.1539457 0.0000000 3.6072760 24 S 3.5498750 0.0000000 -0.1464610 0.0000000 3.4463494 0.0000000 0.1539457 0.0000000 3.6072760 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000017 (xxx) -0.00000017 (xxx) -0.00000017 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 11 ] 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: 0.64, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 10.497 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.232 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.317 ( 0.000 0.000 0.000) 0.000 14.438 ( 0.000 0.000 0.000) 0.000 14.511 ( 0.000 0.000 0.000) 0.000 14.567 ( 0.000 0.000 0.000) 0.000 14.625 ( 0.000 0.000 0.000) 0.000 17.103 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.285 ( 0.000 0.000 0.000) 0.000 17.349 ( 0.000 0.000 0.000) 0.000 17.542 ( 0.000 0.000 0.000) 0.000 17.820 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 18.197 ( 0.000 0.000 0.000) 0.000 19.643 ( 0.000 0.000 0.000) 0.000 20.085 ( 0.000 0.000 0.000) 0.000 20.150 ( 0.000 0.000 0.000) 0.000 20.686 ( 0.000 0.000 0.000) 0.000 28.800 ( 0.000 0.000 0.000) 0.000 28.857 ( 0.000 0.000 0.000) 0.000 29.044 ( 0.000 0.000 0.000) 0.000 29.108 ( 0.000 0.000 0.000) 0.000 29.881 ( 0.000 0.000 0.000) 0.000 30.458 ( 0.000 0.000 0.000) 0.000 31.601 ( 0.000 0.000 0.000) 0.000 32.181 ( 0.000 0.000 0.000) 0.000 32.526 ( 0.000 0.000 0.000) 0.000 32.783 ( 0.000 0.000 0.000) 0.000 33.589 ( 0.000 0.000 0.000) 0.000 34.341 ( 0.000 0.000 0.000) 0.000 34.920 ( 0.000 0.000 0.000) 0.000 35.124 ( 0.000 0.000 0.000) 0.000 35.218 ( 0.000 0.000 0.000) 0.000 36.257 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 38.216 0.000 0.000) 38.216 0.849 ( 42.885 0.000 0.000) 42.885 1.537 ( 78.408 0.000 0.000) 78.408 2.417 ( -6.386 0.000 0.000) 6.386 2.874 ( -3.541 0.000 0.000) 3.541 3.033 ( 0.907 0.000 0.000) 0.907 3.294 ( -5.273 0.000 0.000) 5.273 4.209 ( 11.521 0.000 0.000) 11.521 4.241 ( 19.088 0.000 0.000) 19.088 4.407 ( 0.726 0.000 0.000) 0.726 4.576 ( 1.978 0.000 0.000) 1.978 4.624 ( 6.478 0.000 0.000) 6.478 4.862 ( 1.275 0.000 0.000) 1.275 5.059 ( 8.598 0.000 0.000) 8.598 5.122 ( -2.569 0.000 0.000) 2.569 5.667 ( -12.111 0.000 0.000) 12.111 5.769 ( 3.112 0.000 0.000) 3.112 5.993 ( -14.838 0.000 0.000) 14.838 6.184 ( -6.878 0.000 0.000) 6.878 6.535 ( -9.774 0.000 0.000) 9.774 6.653 ( -7.267 0.000 0.000) 7.267 6.886 ( 3.935 0.000 0.000) 3.935 6.961 ( -23.355 0.000 0.000) 23.355 7.058 ( 0.093 0.000 0.000) 0.093 7.192 ( -14.992 0.000 0.000) 14.992 7.486 ( -3.405 0.000 0.000) 3.405 7.534 ( -3.037 0.000 0.000) 3.037 7.973 ( -27.365 0.000 0.000) 27.365 8.586 ( 24.959 0.000 0.000) 24.959 9.110 ( 18.868 0.000 0.000) 18.868 9.854 ( 21.611 0.000 0.000) 21.611 11.612 ( -9.076 0.000 0.000) 9.076 11.877 ( 0.989 0.000 0.000) 0.989 12.184 ( -3.771 0.000 0.000) 3.771 12.212 ( -3.194 0.000 0.000) 3.194 12.226 ( -0.635 0.000 0.000) 0.635 12.816 ( 5.369 0.000 0.000) 5.369 13.420 ( -4.465 0.000 0.000) 4.465 14.225 ( -2.973 0.000 0.000) 2.973 14.419 ( 5.817 0.000 0.000) 5.817 14.453 ( -4.921 0.000 0.000) 4.921 14.599 ( 3.199 0.000 0.000) 3.199 14.643 ( 0.976 0.000 0.000) 0.976 15.076 ( -4.527 0.000 0.000) 4.527 17.115 ( 1.293 0.000 0.000) 1.293 17.214 ( 0.384 0.000 0.000) 0.384 17.284 ( -0.065 0.000 0.000) 0.065 17.381 ( -2.545 0.000 0.000) 2.545 17.609 ( 6.058 0.000 0.000) 6.058 17.879 ( -0.586 0.000 0.000) 0.586 17.900 ( -0.552 0.000 0.000) 0.552 18.167 ( -3.025 0.000 0.000) 3.025 19.648 ( 0.495 0.000 0.000) 0.495 19.945 ( -7.973 0.000 0.000) 7.973 20.297 ( 8.656 0.000 0.000) 8.656 20.676 ( -1.068 0.000 0.000) 1.068 28.798 ( 0.308 0.000 0.000) 0.308 28.895 ( 3.375 0.000 0.000) 3.375 29.016 ( -2.705 0.000 0.000) 2.705 29.236 ( -4.295 0.000 0.000) 4.295 30.037 ( 14.545 0.000 0.000) 14.545 31.483 ( -11.396 0.000 0.000) 11.396 32.218 ( 3.153 0.000 0.000) 3.153 32.384 ( -0.986 0.000 0.000) 0.986 32.548 ( 2.089 0.000 0.000) 2.089 32.766 ( -1.629 0.000 0.000) 1.629 34.367 ( 2.694 0.000 0.000) 2.694 34.937 ( -11.029 0.000 0.000) 11.029 34.937 ( 1.720 0.000 0.000) 1.720 35.164 ( -1.819 0.000 0.000) 1.819 35.421 ( 12.612 0.000 0.000) 12.612 36.212 ( -4.575 0.000 0.000) 4.575 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 29.004 0.000 0.000) 29.004 1.637 ( 37.932 0.000 0.000) 37.932 2.227 ( -12.686 0.000 0.000) 12.686 2.712 ( -14.656 0.000 0.000) 14.656 3.018 ( 73.447 0.000 0.000) 73.447 3.059 ( 1.749 0.000 0.000) 1.749 3.180 ( -5.381 0.000 0.000) 5.381 4.430 ( 1.633 0.000 0.000) 1.633 4.496 ( 1.224 0.000 0.000) 1.224 4.540 ( 21.634 0.000 0.000) 21.634 4.756 ( 13.674 0.000 0.000) 13.674 4.798 ( 11.105 0.000 0.000) 11.105 5.021 ( 22.785 0.000 0.000) 22.785 5.043 ( -5.443 0.000 0.000) 5.443 5.146 ( -9.078 0.000 0.000) 9.078 5.455 ( -12.496 0.000 0.000) 12.496 5.611 ( -23.779 0.000 0.000) 23.779 5.768 ( -21.882 0.000 0.000) 21.882 5.880 ( 8.574 0.000 0.000) 8.574 6.250 ( -18.151 0.000 0.000) 18.151 6.340 ( -26.453 0.000 0.000) 26.453 6.498 ( -22.508 0.000 0.000) 22.508 6.979 ( 4.385 0.000 0.000) 4.385 6.997 ( 0.497 0.000 0.000) 0.497 7.166 ( 4.653 0.000 0.000) 4.653 7.394 ( -5.785 0.000 0.000) 5.785 7.485 ( -2.166 0.000 0.000) 2.166 7.566 ( -12.367 0.000 0.000) 12.367 9.051 ( 20.963 0.000 0.000) 20.963 9.364 ( 6.524 0.000 0.000) 6.524 10.339 ( 26.888 0.000 0.000) 26.888 11.321 ( -20.524 0.000 0.000) 20.524 11.911 ( 2.618 0.000 0.000) 2.618 12.088 ( -5.694 0.000 0.000) 5.694 12.174 ( -0.392 0.000 0.000) 0.392 12.208 ( -1.111 0.000 0.000) 1.111 12.955 ( 8.567 0.000 0.000) 8.567 13.299 ( -7.762 0.000 0.000) 7.762 14.201 ( 0.679 0.000 0.000) 0.679 14.347 ( -5.670 0.000 0.000) 5.670 14.525 ( 4.923 0.000 0.000) 4.923 14.645 ( -0.984 0.000 0.000) 0.984 14.687 ( 5.840 0.000 0.000) 5.840 14.960 ( -7.053 0.000 0.000) 7.053 17.151 ( 2.258 0.000 0.000) 2.258 17.217 ( -0.290 0.000 0.000) 0.290 17.283 ( 0.076 0.000 0.000) 0.076 17.329 ( -2.609 0.000 0.000) 2.609 17.746 ( 7.268 0.000 0.000) 7.268 17.865 ( -0.907 0.000 0.000) 0.907 17.896 ( 0.655 0.000 0.000) 0.655 18.082 ( -5.649 0.000 0.000) 5.649 19.667 ( 1.635 0.000 0.000) 1.635 19.809 ( -5.982 0.000 0.000) 5.982 20.452 ( 7.137 0.000 0.000) 7.137 20.641 ( -2.679 0.000 0.000) 2.679 28.821 ( 2.057 0.000 0.000) 2.057 28.949 ( -3.930 0.000 0.000) 3.930 28.973 ( 4.468 0.000 0.000) 4.468 29.150 ( -4.494 0.000 0.000) 4.494 30.388 ( 20.695 0.000 0.000) 20.695 31.191 ( -18.156 0.000 0.000) 18.156 32.280 ( 2.930 0.000 0.000) 2.930 32.360 ( -1.423 0.000 0.000) 1.423 32.600 ( 3.092 0.000 0.000) 3.092 32.723 ( -2.797 0.000 0.000) 2.797 34.444 ( 5.271 0.000 0.000) 5.271 34.736 ( -9.599 0.000 0.000) 9.599 34.984 ( 3.019 0.000 0.000) 3.019 35.115 ( -3.118 0.000 0.000) 3.118 35.665 ( 12.444 0.000 0.000) 12.444 36.085 ( -8.413 0.000 0.000) 8.413 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -19.901 0.000 0.000) 19.901 1.913 ( 19.901 0.000 0.000) 19.901 2.288 ( -28.576 0.000 0.000) 28.576 2.288 ( 28.576 0.000 0.000) 28.576 3.102 ( -2.888 0.000 0.000) 2.888 3.102 ( 2.888 0.000 0.000) 2.888 4.340 ( -60.234 0.000 0.000) 60.234 4.340 ( 60.234 0.000 0.000) 60.234 4.469 ( -2.298 0.000 0.000) 2.298 4.469 ( 2.298 0.000 0.000) 2.298 4.922 ( -6.814 0.000 0.000) 6.814 4.922 ( 6.814 0.000 0.000) 6.814 4.987 ( -3.045 0.000 0.000) 3.045 4.987 ( 3.045 0.000 0.000) 3.045 5.172 ( -7.853 0.000 0.000) 7.853 5.172 ( 7.853 0.000 0.000) 7.853 5.676 ( -37.451 0.000 0.000) 37.451 5.676 ( 37.451 0.000 0.000) 37.451 5.887 ( -17.930 0.000 0.000) 17.930 5.887 ( 17.930 0.000 0.000) 17.930 6.126 ( -15.452 0.000 0.000) 15.452 6.126 ( 15.452 0.000 0.000) 15.452 7.023 ( -0.141 0.000 0.000) 0.141 7.023 ( 0.141 0.000 0.000) 0.141 7.275 ( -6.236 0.000 0.000) 6.236 7.275 ( 6.236 0.000 0.000) 6.236 7.462 ( -0.585 0.000 0.000) 0.585 7.462 ( 0.585 0.000 0.000) 0.585 9.345 ( -8.555 0.000 0.000) 8.555 9.345 ( 8.555 0.000 0.000) 8.555 10.858 ( -26.214 0.000 0.000) 26.214 10.858 ( 26.214 0.000 0.000) 26.214 11.982 ( -4.794 0.000 0.000) 4.794 11.982 ( 4.794 0.000 0.000) 4.794 12.185 ( -1.133 0.000 0.000) 1.133 12.185 ( 1.133 0.000 0.000) 1.133 13.131 ( -9.270 0.000 0.000) 9.270 13.131 ( 9.270 0.000 0.000) 9.270 14.249 ( -4.058 0.000 0.000) 4.058 14.249 ( 4.058 0.000 0.000) 4.058 14.604 ( -3.159 0.000 0.000) 3.159 14.604 ( 3.159 0.000 0.000) 3.159 14.817 ( -7.337 0.000 0.000) 7.337 14.817 ( 7.337 0.000 0.000) 7.337 17.195 ( -1.985 0.000 0.000) 1.985 17.195 ( 1.985 0.000 0.000) 1.985 17.292 ( -1.034 0.000 0.000) 1.034 17.292 ( 1.034 0.000 0.000) 1.034 17.841 ( -2.074 0.000 0.000) 2.074 17.841 ( 2.074 0.000 0.000) 2.074 17.961 ( -6.117 0.000 0.000) 6.117 17.961 ( 6.117 0.000 0.000) 6.117 19.716 ( -3.596 0.000 0.000) 3.596 19.716 ( 3.596 0.000 0.000) 3.596 20.568 ( -4.872 0.000 0.000) 4.872 20.568 ( 4.872 0.000 0.000) 4.872 28.875 ( -3.474 0.000 0.000) 3.474 28.875 ( 3.474 0.000 0.000) 3.474 29.062 ( -4.619 0.000 0.000) 4.619 29.062 ( 4.619 0.000 0.000) 4.619 30.803 ( -21.429 0.000 0.000) 21.429 30.803 ( 21.429 0.000 0.000) 21.429 32.327 ( -2.019 0.000 0.000) 2.019 32.327 ( 2.019 0.000 0.000) 2.019 32.662 ( -3.295 0.000 0.000) 3.295 32.662 ( 3.295 0.000 0.000) 3.295 34.569 ( -7.611 0.000 0.000) 7.611 34.569 ( 7.611 0.000 0.000) 7.611 35.049 ( -3.545 0.000 0.000) 3.545 35.049 ( 3.545 0.000 0.000) 3.545 35.894 ( -11.066 0.000 0.000) 11.066 35.894 ( 11.066 0.000 0.000) 11.066 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 36.923 0.000) 36.923 0.920 ( 0.000 42.867 0.000) 42.867 1.278 ( 0.000 57.922 0.000) 57.922 2.527 ( 0.000 4.999 0.000) 4.999 3.124 ( 0.000 19.072 0.000) 19.072 3.316 ( 0.000 -1.499 0.000) 1.499 3.761 ( 0.000 -8.386 0.000) 8.386 4.176 ( 0.000 9.303 0.000) 9.303 4.218 ( 0.000 9.395 0.000) 9.395 4.376 ( 0.000 -2.547 0.000) 2.547 4.476 ( 0.000 -7.085 0.000) 7.085 4.577 ( 0.000 2.372 0.000) 2.372 4.651 ( 0.000 -13.407 0.000) 13.407 5.006 ( 0.000 3.338 0.000) 3.338 5.229 ( 0.000 -24.440 0.000) 24.440 5.351 ( 0.000 -3.497 0.000) 3.497 5.915 ( 0.000 1.167 0.000) 1.167 5.941 ( 0.000 8.842 0.000) 8.842 6.193 ( 0.000 1.176 0.000) 1.176 6.421 ( 0.000 15.392 0.000) 15.392 6.673 ( 0.000 -3.431 0.000) 3.431 6.831 ( 0.000 -17.505 0.000) 17.505 6.877 ( 0.000 1.732 0.000) 1.732 7.051 ( 0.000 -0.253 0.000) 0.253 7.147 ( 0.000 -9.465 0.000) 9.465 7.328 ( 0.000 -6.314 0.000) 6.314 7.572 ( 0.000 -2.656 0.000) 2.656 8.455 ( 0.000 15.243 0.000) 15.243 8.601 ( 0.000 -15.927 0.000) 15.927 9.197 ( 0.000 12.172 0.000) 12.172 9.612 ( 0.000 -0.432 0.000) 0.432 10.480 ( 0.000 -1.936 0.000) 1.936 11.815 ( 0.000 3.138 0.000) 3.138 11.892 ( 0.000 2.150 0.000) 2.150 12.210 ( 0.000 -1.982 0.000) 1.982 12.627 ( 0.000 -9.926 0.000) 9.926 13.373 ( 0.000 10.636 0.000) 10.636 13.476 ( 0.000 1.233 0.000) 1.233 14.300 ( 0.000 -0.294 0.000) 0.294 14.408 ( 0.000 -2.449 0.000) 2.449 14.470 ( 0.000 -8.740 0.000) 8.740 14.487 ( 0.000 -0.621 0.000) 0.621 14.513 ( 0.000 0.206 0.000) 0.206 14.612 ( 0.000 -1.144 0.000) 1.144 17.114 ( 0.000 1.022 0.000) 1.022 17.215 ( 0.000 0.579 0.000) 0.579 17.281 ( 0.000 -0.442 0.000) 0.442 17.341 ( 0.000 -0.796 0.000) 0.796 17.550 ( 0.000 0.779 0.000) 0.779 17.799 ( 0.000 -1.849 0.000) 1.849 17.884 ( 0.000 -0.098 0.000) 0.098 18.101 ( 0.000 -7.339 0.000) 7.339 19.767 ( 0.000 10.175 0.000) 10.175 20.196 ( 0.000 4.109 0.000) 4.109 20.662 ( 0.000 -2.276 0.000) 2.276 20.892 ( 0.000 -3.124 0.000) 3.124 28.804 ( 0.000 0.352 0.000) 0.352 28.855 ( 0.000 -0.171 0.000) 0.171 29.046 ( 0.000 0.204 0.000) 0.204 29.104 ( 0.000 -0.375 0.000) 0.375 29.908 ( 0.000 2.427 0.000) 2.427 30.427 ( 0.000 -2.828 0.000) 2.828 31.640 ( 0.000 3.693 0.000) 3.693 32.172 ( 0.000 -0.884 0.000) 0.884 32.565 ( 0.000 3.599 0.000) 3.599 32.798 ( 0.000 1.598 0.000) 1.598 33.515 ( 0.000 -6.641 0.000) 6.641 34.470 ( 0.000 -26.742 0.000) 26.742 35.290 ( 0.000 6.311 0.000) 6.311 35.438 ( 0.000 14.420 0.000) 14.420 36.318 ( 0.000 5.444 0.000) 5.444 37.070 ( 0.000 -2.780 0.000) 2.780 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 24.647 20.177 0.000) 31.852 1.095 ( 25.625 24.752 0.000) 35.627 2.112 ( 57.796 39.942 0.000) 70.255 2.464 ( -6.189 5.310 0.000) 8.155 3.079 ( -6.590 15.155 0.000) 16.526 3.277 ( -2.415 1.927 0.000) 3.090 3.449 ( -14.188 16.367 0.000) 21.661 4.268 ( 9.280 4.905 0.000) 10.497 4.352 ( 10.812 3.579 0.000) 11.389 4.359 ( -1.330 -4.978 0.000) 5.152 4.482 ( 1.119 -7.241 0.000) 7.327 4.491 ( 0.093 -5.036 0.000) 5.037 4.689 ( 5.803 -8.581 0.000) 10.359 5.083 ( 7.489 2.009 0.000) 7.754 5.097 ( -0.384 -9.501 0.000) 9.509 5.749 ( 8.672 -3.867 0.000) 9.495 5.778 ( -11.690 8.022 0.000) 14.178 6.087 ( -4.173 1.237 0.000) 4.353 6.188 ( -10.688 -0.107 0.000) 10.688 6.277 ( -3.156 -6.490 0.000) 7.217 6.683 ( -5.628 1.299 0.000) 5.776 6.738 ( -1.402 -5.017 0.000) 5.209 6.759 ( -10.069 -11.616 0.000) 15.372 6.925 ( -0.776 -10.939 0.000) 10.966 7.215 ( 6.438 -8.010 0.000) 10.277 7.367 ( -5.392 6.629 0.000) 8.545 7.545 ( -6.155 2.007 0.000) 6.474 8.262 ( -27.944 4.584 0.000) 28.317 8.628 ( 19.467 4.365 0.000) 19.950 9.173 ( 8.597 7.537 0.000) 11.434 9.807 ( 17.326 -4.404 0.000) 17.876 11.049 ( 25.249 -28.849 0.000) 38.338 11.823 ( 2.214 0.092 0.000) 2.216 11.898 ( 0.632 1.848 0.000) 1.953 12.202 ( -0.814 -2.109 0.000) 2.260 12.512 ( -13.103 -6.247 0.000) 14.516 13.139 ( -10.357 20.773 0.000) 23.212 13.437 ( -3.822 1.793 0.000) 4.222 14.245 ( -1.793 1.776 0.000) 2.524 14.426 ( 4.046 -0.378 0.000) 4.064 14.461 ( -4.294 0.450 0.000) 4.317 14.501 ( 3.010 -8.555 0.000) 9.070 14.632 ( 1.093 -1.046 0.000) 1.513 14.721 ( 8.684 -16.782 0.000) 18.895 17.125 ( 1.090 0.835 0.000) 1.373 17.192 ( -0.763 -0.716 0.000) 1.046 17.279 ( -0.208 -0.571 0.000) 0.608 17.347 ( -0.765 -1.889 0.000) 2.038 17.537 ( 1.467 -1.049 0.000) 1.803 17.843 ( 2.269 -2.784 0.000) 3.592 17.872 ( -1.297 -0.706 0.000) 1.476 18.069 ( -3.230 -7.328 0.000) 8.008 19.779 ( 1.341 10.710 0.000) 10.794 20.222 ( -0.677 6.363 0.000) 6.399 20.539 ( -17.114 14.577 0.000) 22.481 20.654 ( -0.911 -2.131 0.000) 2.318 28.803 ( 0.428 0.504 0.000) 0.661 28.891 ( 3.219 -0.347 0.000) 3.238 29.019 ( -2.619 0.243 0.000) 2.631 29.173 ( -0.181 -3.987 0.000) 3.991 30.065 ( 14.919 2.625 0.000) 15.148 31.294 ( 54.215 -45.499 0.000) 70.777 31.526 ( -11.118 3.998 0.000) 11.815 32.198 ( 2.063 -1.855 0.000) 2.774 32.577 ( 1.331 3.484 0.000) 3.729 32.783 ( -1.520 1.701 0.000) 2.282 33.602 ( 8.561 -14.881 0.000) 17.168 34.409 ( -5.983 -26.841 0.000) 27.500 35.286 ( 0.976 11.782 0.000) 11.822 35.539 ( 8.762 9.425 0.000) 12.869 36.254 ( -8.124 6.600 0.000) 10.467 36.494 ( -37.135 29.880 0.000) 47.663 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 24.233 14.134 0.000) 28.054 1.612 ( 37.905 0.806 0.000) 37.913 2.287 ( -11.474 6.531 0.000) 13.202 2.818 ( -20.241 5.553 0.000) 20.989 3.192 ( 29.099 17.517 0.000) 33.964 3.258 ( -0.028 10.167 0.000) 10.167 3.398 ( 28.199 19.885 0.000) 34.505 4.347 ( 0.674 -8.416 0.000) 8.443 4.392 ( -3.173 -12.363 0.000) 12.763 4.495 ( 8.510 -12.022 0.000) 14.729 4.533 ( 2.754 -13.648 0.000) 13.923 4.616 ( 13.260 0.767 0.000) 13.282 4.997 ( 24.209 0.519 0.000) 24.215 5.096 ( -0.932 -5.260 0.000) 5.341 5.157 ( -10.741 -1.297 0.000) 10.819 5.608 ( -1.383 7.927 0.000) 8.046 5.719 ( -20.275 10.818 0.000) 22.981 5.788 ( -17.365 6.045 0.000) 18.388 5.943 ( 9.329 5.577 0.000) 10.869 6.132 ( -15.037 -6.074 0.000) 16.217 6.357 ( -22.282 0.652 0.000) 22.291 6.581 ( -14.365 7.021 0.000) 15.988 6.913 ( 10.727 -4.874 0.000) 11.782 6.998 ( 5.831 -11.762 0.000) 13.129 7.176 ( -7.346 11.220 0.000) 13.411 7.231 ( -3.567 -10.567 0.000) 11.153 7.489 ( 0.758 0.755 0.000) 1.070 7.803 ( -17.661 13.929 0.000) 22.493 9.063 ( 21.063 0.944 0.000) 21.084 9.349 ( 6.116 -0.460 0.000) 6.133 10.204 ( 23.208 -12.124 0.000) 26.184 11.116 ( -14.285 -17.411 0.000) 22.521 11.921 ( 1.835 0.858 0.000) 2.026 11.932 ( 6.612 -6.018 0.000) 8.941 12.177 ( -1.833 -2.780 0.000) 3.330 12.226 ( -11.999 -2.029 0.000) 12.170 13.099 ( 3.493 12.253 0.000) 12.741 13.336 ( -6.319 3.577 0.000) 7.261 14.239 ( 1.078 3.327 0.000) 3.498 14.369 ( -4.865 1.827 0.000) 5.197 14.517 ( 4.712 -1.402 0.000) 4.916 14.581 ( 4.853 -9.267 0.000) 10.461 14.637 ( -0.530 -0.846 0.000) 0.998 14.770 ( -1.999 -14.062 0.000) 14.203 17.155 ( 1.906 0.336 0.000) 1.935 17.194 ( 0.465 -1.850 0.000) 1.908 17.274 ( -0.233 -0.985 0.000) 1.012 17.310 ( -2.364 -1.551 0.000) 2.827 17.618 ( 6.092 -5.908 0.000) 8.486 17.832 ( -3.061 -3.155 0.000) 4.396 17.873 ( 1.269 -2.073 0.000) 2.431 17.987 ( -4.778 -6.147 0.000) 7.786 19.823 ( 3.337 12.255 0.000) 12.702 20.073 ( -10.072 16.582 0.000) 19.401 20.475 ( 4.098 2.045 0.000) 4.580 20.623 ( -2.322 -1.667 0.000) 2.858 28.828 ( 2.110 0.679 0.000) 2.216 28.954 ( -3.786 0.468 0.000) 3.815 28.966 ( 4.259 -0.665 0.000) 4.310 29.126 ( -3.548 -1.963 0.000) 4.055 30.425 ( 21.211 3.485 0.000) 21.496 31.238 ( -18.048 4.382 0.000) 18.572 31.981 ( 19.464 -29.454 0.000) 35.304 32.226 ( 0.325 -4.939 0.000) 4.949 32.618 ( 2.852 2.836 0.000) 4.022 32.741 ( -2.735 1.920 0.000) 3.342 33.813 ( 12.179 -26.016 0.000) 28.726 34.254 ( -9.659 -27.473 0.000) 29.121 35.351 ( 5.892 17.358 0.000) 18.330 35.738 ( 11.171 6.122 0.000) 12.738 35.845 ( -22.226 30.881 0.000) 38.048 36.156 ( -9.559 7.175 0.000) 11.952 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -16.366 8.126 0.000) 18.272 1.998 ( 16.366 8.126 0.000) 18.272 2.313 ( -30.883 1.546 0.000) 30.922 2.313 ( 30.883 1.546 0.000) 30.922 3.260 ( -0.152 13.399 0.000) 13.400 3.260 ( 0.152 13.399 0.000) 13.400 4.262 ( -19.763 -11.026 0.000) 22.630 4.262 ( 19.763 -11.026 0.000) 22.630 4.508 ( -29.077 1.386 0.000) 29.110 4.508 ( 29.077 1.386 0.000) 29.110 4.567 ( -3.166 -14.137 0.000) 14.487 4.567 ( 3.166 -14.137 0.000) 14.487 4.974 ( -13.977 -3.963 0.000) 14.528 4.974 ( 13.977 -3.963 0.000) 14.528 5.376 ( -12.807 7.052 0.000) 14.620 5.376 ( 12.807 7.052 0.000) 14.620 5.762 ( -19.719 11.600 0.000) 22.878 5.762 ( 19.719 11.600 0.000) 22.878 5.896 ( -19.551 0.550 0.000) 19.558 5.896 ( 19.551 0.550 0.000) 19.558 6.233 ( -17.465 9.698 0.000) 19.977 6.233 ( 17.465 9.698 0.000) 19.977 7.076 ( -5.597 2.509 0.000) 6.134 7.076 ( 5.597 2.509 0.000) 6.134 7.124 ( -6.362 -12.622 0.000) 14.135 7.124 ( 6.362 -12.622 0.000) 14.135 7.568 ( -7.606 9.565 0.000) 12.221 7.568 ( 7.606 9.565 0.000) 12.221 9.345 ( -7.263 -0.037 0.000) 7.263 9.345 ( 7.263 -0.037 0.000) 7.263 10.690 ( -25.947 -14.968 0.000) 29.955 10.690 ( 25.947 -14.968 0.000) 29.955 11.969 ( -2.547 -1.171 0.000) 2.803 11.969 ( 2.547 -1.171 0.000) 2.803 12.136 ( -1.551 -4.182 0.000) 4.461 12.136 ( 1.551 -4.182 0.000) 4.461 13.206 ( -6.707 6.813 0.000) 9.560 13.206 ( 6.707 6.813 0.000) 9.560 14.285 ( -3.541 3.060 0.000) 4.680 14.285 ( 3.541 3.060 0.000) 4.680 14.594 ( -2.977 -1.722 0.000) 3.439 14.594 ( 2.977 -1.722 0.000) 3.439 14.692 ( -5.224 -10.086 0.000) 11.359 14.692 ( 5.224 -10.086 0.000) 11.359 17.189 ( -1.261 -0.579 0.000) 1.387 17.189 ( 1.261 -0.579 0.000) 1.387 17.276 ( -0.806 -1.483 0.000) 1.687 17.276 ( 0.806 -1.483 0.000) 1.687 17.743 ( -6.070 -7.007 0.000) 9.271 17.743 ( 6.070 -7.007 0.000) 9.271 17.909 ( -2.832 -2.803 0.000) 3.984 17.909 ( 2.832 -2.803 0.000) 3.984 19.915 ( -6.295 14.594 0.000) 15.893 19.915 ( 6.295 14.594 0.000) 15.893 20.561 ( -4.061 -0.686 0.000) 4.118 20.561 ( 4.061 -0.686 0.000) 4.118 28.882 ( -3.405 0.671 0.000) 3.471 28.882 ( 3.405 0.671 0.000) 3.471 29.049 ( -4.256 -1.108 0.000) 4.398 29.049 ( 4.256 -1.108 0.000) 4.398 30.848 ( -21.688 4.238 0.000) 22.098 30.848 ( 21.688 4.238 0.000) 22.098 32.190 ( -4.825 -12.275 0.000) 13.190 32.190 ( 4.825 -12.275 0.000) 13.190 32.681 ( -3.397 2.176 0.000) 4.034 32.681 ( 3.397 2.176 0.000) 4.034 34.046 ( -11.626 -28.439 0.000) 30.724 34.046 ( 11.626 -28.439 0.000) 30.724 35.522 ( -12.090 23.723 0.000) 26.626 35.522 ( 12.090 23.723 0.000) 26.626 35.956 ( -11.075 5.468 0.000) 12.351 35.956 ( 11.075 5.468 0.000) 12.351 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 37.031 0.000) 37.031 1.825 ( 0.000 41.334 0.000) 41.334 2.432 ( 0.000 48.695 0.000) 48.695 2.694 ( 0.000 10.939 0.000) 10.939 3.349 ( 0.000 5.335 0.000) 5.335 3.506 ( 0.000 4.639 0.000) 4.639 3.508 ( 0.000 -14.331 0.000) 14.331 4.111 ( 0.000 -4.446 0.000) 4.446 4.234 ( 0.000 -13.533 0.000) 13.533 4.271 ( 0.000 -7.913 0.000) 7.913 4.424 ( 0.000 8.475 0.000) 8.475 4.572 ( 0.000 -33.447 0.000) 33.447 4.685 ( 0.000 6.005 0.000) 6.005 4.808 ( 0.000 24.415 0.000) 24.415 5.116 ( 0.000 7.965 0.000) 7.965 5.241 ( 0.000 -6.680 0.000) 6.680 6.009 ( 0.000 6.437 0.000) 6.437 6.119 ( 0.000 7.059 0.000) 7.059 6.217 ( 0.000 -0.714 0.000) 0.714 6.370 ( 0.000 -22.988 0.000) 22.988 6.561 ( 0.000 -7.016 0.000) 7.016 6.756 ( 0.000 16.181 0.000) 16.181 6.811 ( 0.000 -21.889 0.000) 21.889 6.926 ( 0.000 2.865 0.000) 2.865 7.040 ( 0.000 -0.831 0.000) 0.831 7.229 ( 0.000 -2.229 0.000) 2.229 7.474 ( 0.000 -6.146 0.000) 6.146 8.155 ( 0.000 -24.271 0.000) 24.271 8.823 ( 0.000 17.889 0.000) 17.889 9.527 ( 0.000 17.418 0.000) 17.418 9.576 ( 0.000 -3.519 0.000) 3.519 10.395 ( 0.000 -6.386 0.000) 6.386 11.907 ( 0.000 5.259 0.000) 5.259 11.951 ( 0.000 3.125 0.000) 3.125 12.154 ( 0.000 -3.078 0.000) 3.078 12.405 ( 0.000 -10.269 0.000) 10.269 13.531 ( 0.000 4.345 0.000) 4.345 13.620 ( 0.000 11.849 0.000) 11.849 14.220 ( 0.000 -13.748 0.000) 13.748 14.245 ( 0.000 -5.589 0.000) 5.589 14.377 ( 0.000 0.285 0.000) 0.285 14.467 ( 0.000 -1.196 0.000) 1.196 14.519 ( 0.000 0.383 0.000) 0.383 14.582 ( 0.000 -1.564 0.000) 1.564 17.143 ( 0.000 1.618 0.000) 1.618 17.233 ( 0.000 1.025 0.000) 1.025 17.261 ( 0.000 -1.439 0.000) 1.439 17.317 ( 0.000 -1.302 0.000) 1.302 17.576 ( 0.000 1.656 0.000) 1.656 17.746 ( 0.000 -2.918 0.000) 2.918 17.880 ( 0.000 -0.297 0.000) 0.297 17.954 ( 0.000 -5.349 0.000) 5.349 20.016 ( 0.000 12.074 0.000) 12.074 20.317 ( 0.000 6.962 0.000) 6.962 20.586 ( 0.000 -4.866 0.000) 4.866 20.796 ( 0.000 -5.790 0.000) 5.790 28.814 ( 0.000 0.589 0.000) 0.589 28.849 ( 0.000 -0.345 0.000) 0.345 29.053 ( 0.000 0.421 0.000) 0.421 29.093 ( 0.000 -0.636 0.000) 0.636 29.982 ( 0.000 4.485 0.000) 4.485 30.342 ( 0.000 -4.983 0.000) 4.983 31.758 ( 0.000 7.109 0.000) 7.109 32.139 ( 0.000 -2.348 0.000) 2.348 32.679 ( 0.000 6.986 0.000) 6.986 32.863 ( 0.000 4.904 0.000) 4.904 33.325 ( 0.000 -10.527 0.000) 10.527 33.889 ( 0.000 -26.499 0.000) 26.499 35.458 ( 0.000 8.574 0.000) 8.574 35.660 ( 0.000 6.211 0.000) 6.211 36.472 ( 0.000 8.483 0.000) 8.483 36.982 ( 0.000 -5.416 0.000) 5.416 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -5.118 37.264 0.000) 37.613 1.720 ( 13.084 32.046 0.000) 34.614 2.643 ( -4.842 11.573 0.000) 12.545 2.981 ( 39.846 37.916 0.000) 55.003 3.224 ( -12.401 4.265 0.000) 13.114 3.462 ( -3.147 -11.253 0.000) 11.685 3.533 ( 1.713 5.613 0.000) 5.868 4.131 ( -8.728 -18.394 0.000) 20.360 4.141 ( -4.752 -9.893 0.000) 10.975 4.169 ( 1.297 -9.945 0.000) 10.030 4.523 ( -5.609 1.851 0.000) 5.907 4.524 ( 9.417 7.977 0.000) 12.341 4.782 ( 10.854 -9.665 0.000) 14.533 4.856 ( 5.714 17.786 0.000) 18.681 5.142 ( 3.083 3.884 0.000) 4.959 5.544 ( 20.893 -12.708 0.000) 24.454 5.897 ( -17.262 -0.014 0.000) 17.262 6.065 ( 4.465 3.647 0.000) 5.765 6.192 ( -10.026 1.444 0.000) 10.130 6.444 ( 9.989 -17.968 0.000) 20.558 6.479 ( -16.777 9.822 0.000) 19.441 6.628 ( 0.643 -2.019 0.000) 2.119 6.727 ( 1.562 -6.111 0.000) 6.308 6.746 ( -14.590 2.565 0.000) 14.814 7.123 ( 1.928 -0.585 0.000) 2.015 7.393 ( 7.221 -1.188 0.000) 7.318 7.585 ( 4.935 -1.088 0.000) 5.054 8.088 ( -6.268 -17.481 0.000) 18.571 8.801 ( 4.235 11.939 0.000) 12.667 9.464 ( -3.211 18.114 0.000) 18.396 9.664 ( 7.419 -8.974 0.000) 11.644 10.609 ( 14.262 -16.194 0.000) 21.579 11.871 ( -2.661 3.660 0.000) 4.525 11.949 ( -0.258 2.710 0.000) 2.723 12.143 ( -1.208 -3.220 0.000) 3.439 12.320 ( -8.791 -9.801 0.000) 13.166 13.510 ( -2.093 5.293 0.000) 5.692 13.517 ( -8.012 15.385 0.000) 17.346 14.243 ( 2.187 -14.084 0.000) 14.253 14.266 ( 3.111 -3.188 0.000) 4.455 14.362 ( -1.097 -2.593 0.000) 2.815 14.487 ( -2.408 1.413 0.000) 2.792 14.521 ( 3.478 -3.582 0.000) 4.993 14.602 ( 1.202 -1.696 0.000) 2.079 17.148 ( 0.535 1.302 0.000) 1.407 17.197 ( -2.587 0.994 0.000) 2.771 17.255 ( -0.580 -1.598 0.000) 1.700 17.310 ( -1.212 -1.764 0.000) 2.140 17.556 ( -0.559 2.139 0.000) 2.211 17.777 ( 2.043 -3.526 0.000) 4.075 17.850 ( -3.154 -1.138 0.000) 3.353 17.933 ( -2.005 -4.557 0.000) 4.979 20.035 ( 2.021 12.114 0.000) 12.282 20.343 ( 2.066 6.004 0.000) 6.349 20.583 ( -0.393 -4.547 0.000) 4.564 20.671 ( -10.306 -0.033 0.000) 10.306 28.819 ( 0.797 0.902 0.000) 1.204 28.880 ( 2.772 -0.686 0.000) 2.856 29.027 ( -2.376 0.560 0.000) 2.441 29.106 ( -0.064 -2.282 0.000) 2.283 30.148 ( 15.925 5.128 0.000) 16.731 30.718 ( 33.611 -15.814 0.000) 37.145 31.653 ( -10.321 7.745 0.000) 12.903 32.136 ( -0.924 -4.081 0.000) 4.184 32.689 ( 1.047 6.873 0.000) 6.952 32.850 ( -1.293 4.959 0.000) 5.125 33.343 ( 1.913 -11.549 0.000) 11.706 33.835 ( -5.364 -25.813 0.000) 26.364 35.504 ( 4.819 9.280 0.000) 10.456 35.716 ( 5.732 5.645 0.000) 8.045 36.406 ( -6.835 7.946 0.000) 10.481 36.766 ( -19.442 2.214 0.000) 19.568 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 22.310 17.671 0.000) 28.460 2.013 ( 15.521 23.492 0.000) 28.156 2.510 ( -8.495 13.927 0.000) 16.313 2.883 ( -22.650 3.064 0.000) 22.856 3.426 ( -0.163 -7.446 0.000) 7.447 3.526 ( -2.845 4.777 0.000) 5.560 3.687 ( 24.596 5.997 0.000) 25.317 3.973 ( -8.179 -24.058 0.000) 25.410 4.079 ( 9.116 -9.761 0.000) 13.356 4.258 ( 4.631 -0.653 0.000) 4.677 4.457 ( -0.802 7.131 0.000) 7.176 4.754 ( 13.069 8.219 0.000) 15.439 4.954 ( 5.400 -2.893 0.000) 6.127 5.022 ( 3.933 -0.311 0.000) 3.946 5.161 ( -0.781 3.618 0.000) 3.702 5.640 ( 0.199 -0.731 0.000) 0.757 5.802 ( -3.154 -6.829 0.000) 7.522 6.046 ( -3.999 10.458 0.000) 11.197 6.095 ( -3.900 5.315 0.000) 6.592 6.171 ( -1.267 11.393 0.000) 11.463 6.372 ( -21.046 0.958 0.000) 21.068 6.647 ( 10.216 -13.725 0.000) 17.110 6.742 ( -4.940 2.357 0.000) 5.473 6.773 ( 9.495 -8.015 0.000) 12.426 7.095 ( -3.192 0.733 0.000) 3.275 7.426 ( -16.312 9.741 0.000) 18.999 7.566 ( 10.654 7.392 0.000) 12.968 7.948 ( -7.666 -2.914 0.000) 8.202 9.088 ( 19.743 1.750 0.000) 19.820 9.428 ( -1.676 9.673 0.000) 9.817 9.856 ( 14.465 -19.237 0.000) 24.068 10.679 ( -10.345 -21.847 0.000) 24.172 11.866 ( 3.190 -0.617 0.000) 3.250 11.943 ( -0.200 1.191 0.000) 1.208 12.101 ( -3.180 -3.910 0.000) 5.040 12.118 ( -9.377 -6.535 0.000) 11.429 13.408 ( -2.449 15.442 0.000) 15.634 13.458 ( -2.938 7.918 0.000) 8.446 14.291 ( 2.218 -13.893 0.000) 14.069 14.327 ( 0.273 3.284 0.000) 3.295 14.366 ( 3.369 -12.081 0.000) 12.542 14.446 ( -1.626 2.168 0.000) 2.710 14.568 ( 1.556 -3.299 0.000) 3.648 14.612 ( -0.265 -1.567 0.000) 1.590 17.163 ( 0.925 0.461 0.000) 1.033 17.166 ( -0.336 -0.244 0.000) 0.415 17.240 ( -0.857 -1.969 0.000) 2.147 17.273 ( -2.261 -1.898 0.000) 2.953 17.577 ( 2.726 1.180 0.000) 2.971 17.763 ( -5.533 -1.928 0.000) 5.859 17.811 ( 1.617 -3.637 0.000) 3.980 17.888 ( -2.371 -3.458 0.000) 4.193 20.096 ( 4.382 12.050 0.000) 12.822 20.337 ( -4.823 8.118 0.000) 9.443 20.522 ( -2.323 1.637 0.000) 2.842 20.568 ( -1.169 -3.518 0.000) 3.707 28.849 ( 2.291 1.270 0.000) 2.619 28.945 ( 3.748 -1.219 0.000) 3.941 28.969 ( -3.383 0.981 0.000) 3.522 29.078 ( -2.497 -2.279 0.000) 3.380 30.536 ( 22.783 6.884 0.000) 23.800 31.378 ( -17.736 8.601 0.000) 19.711 31.391 ( 31.403 -23.156 0.000) 39.017 32.074 ( -6.251 -9.083 0.000) 11.026 32.719 ( 2.059 6.471 0.000) 6.791 32.815 ( -2.297 5.212 0.000) 5.696 33.406 ( 4.829 -14.857 0.000) 15.623 33.697 ( -8.453 -23.730 0.000) 25.191 35.647 ( 9.977 10.866 0.000) 14.752 35.872 ( 10.021 4.982 0.000) 11.191 36.202 ( -14.515 8.814 0.000) 16.981 36.374 ( -17.879 8.433 0.000) 19.768 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -1.462 13.681 0.000) 13.759 2.244 ( 1.462 13.681 0.000) 13.759 2.403 ( -16.073 9.430 0.000) 18.635 2.403 ( 16.073 9.430 0.000) 18.635 3.455 ( -3.208 -3.242 0.000) 4.561 3.455 ( 3.208 -3.242 0.000) 4.561 3.863 ( -3.747 -23.666 0.000) 23.961 3.863 ( 3.747 -23.666 0.000) 23.961 4.311 ( -1.004 1.067 0.000) 1.466 4.311 ( 1.004 1.067 0.000) 1.466 4.668 ( -25.105 5.883 0.000) 25.785 4.668 ( 25.105 5.883 0.000) 25.785 4.955 ( -5.789 3.336 0.000) 6.681 4.955 ( 5.789 3.336 0.000) 6.681 5.459 ( -21.652 2.267 0.000) 21.770 5.459 ( 21.652 2.267 0.000) 21.770 5.904 ( -21.308 0.545 0.000) 21.315 5.904 ( 21.308 0.545 0.000) 21.315 6.032 ( -2.103 8.282 0.000) 8.545 6.032 ( 2.103 8.282 0.000) 8.545 6.479 ( -19.326 8.964 0.000) 21.303 6.479 ( 19.326 8.964 0.000) 21.303 6.820 ( -6.068 -11.033 0.000) 12.592 6.820 ( 6.068 -11.033 0.000) 12.592 7.144 ( -10.248 6.057 0.000) 11.904 7.144 ( 10.248 6.057 0.000) 11.904 7.781 ( -10.103 7.209 0.000) 12.411 7.781 ( 10.103 7.209 0.000) 12.411 9.354 ( -7.225 1.739 0.000) 7.431 9.354 ( 7.225 1.739 0.000) 7.431 10.276 ( -26.322 -22.123 0.000) 34.384 10.276 ( 26.322 -22.123 0.000) 34.384 11.939 ( -1.402 -1.394 0.000) 1.977 11.939 ( 1.402 -1.394 0.000) 1.977 12.034 ( -1.743 -4.697 0.000) 5.010 12.034 ( 1.743 -4.697 0.000) 5.010 13.408 ( -1.839 11.661 0.000) 11.805 13.408 ( 1.839 11.661 0.000) 11.805 14.318 ( -0.707 -7.774 0.000) 7.807 14.318 ( 0.707 -7.774 0.000) 7.807 14.421 ( -1.546 -3.384 0.000) 3.721 14.421 ( 1.546 -3.384 0.000) 3.721 14.594 ( -1.308 -1.539 0.000) 2.020 14.594 ( 1.308 -1.539 0.000) 2.020 17.172 ( -0.308 -0.704 0.000) 0.769 17.172 ( 0.308 -0.704 0.000) 0.769 17.237 ( -0.988 -1.873 0.000) 2.118 17.237 ( 0.988 -1.873 0.000) 2.118 17.655 ( -5.116 -0.738 0.000) 5.169 17.655 ( 5.116 -0.738 0.000) 5.169 17.845 ( -2.020 -3.381 0.000) 3.939 17.845 ( 2.020 -3.381 0.000) 3.939 20.205 ( -6.807 11.304 0.000) 13.196 20.205 ( 6.807 11.304 0.000) 13.196 20.537 ( -1.891 -1.625 0.000) 2.493 20.537 ( 1.891 -1.625 0.000) 2.493 28.904 ( -3.240 1.313 0.000) 3.496 28.904 ( 3.240 1.313 0.000) 3.496 29.018 ( -3.599 -1.746 0.000) 4.000 29.018 ( 3.599 -1.746 0.000) 4.000 30.984 ( -22.492 8.394 0.000) 24.007 30.984 ( 22.492 8.394 0.000) 24.007 31.859 ( -16.942 -17.113 0.000) 24.081 31.859 ( 16.942 -17.113 0.000) 24.081 32.766 ( -2.640 5.789 0.000) 6.363 32.766 ( 2.640 5.789 0.000) 6.363 33.532 ( -7.956 -19.777 0.000) 21.318 33.532 ( 7.956 -19.777 0.000) 21.318 35.892 ( -15.293 11.798 0.000) 19.315 35.892 ( 15.293 11.798 0.000) 19.315 36.092 ( -12.574 5.759 0.000) 13.830 36.092 ( 12.574 5.759 0.000) 13.830 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 0.000 36.154 0.000) 36.154 2.630 ( 0.000 30.799 0.000) 30.799 3.038 ( 0.000 23.581 0.000) 23.581 3.081 ( 0.000 -9.528 0.000) 9.528 3.101 ( 0.000 -31.415 0.000) 31.415 3.381 ( 0.000 18.488 0.000) 18.488 3.548 ( 0.000 12.915 0.000) 12.915 3.827 ( 0.000 -29.347 0.000) 29.347 3.871 ( 0.000 -16.306 0.000) 16.306 4.001 ( 0.000 -17.973 0.000) 17.973 4.392 ( 0.000 14.454 0.000) 14.454 4.533 ( 0.000 0.618 0.000) 0.618 4.868 ( 0.000 9.568 0.000) 9.568 5.071 ( 0.000 -9.022 0.000) 9.022 5.281 ( 0.000 18.736 0.000) 18.736 5.530 ( 0.000 31.544 0.000) 31.544 5.779 ( 0.000 -26.625 0.000) 26.625 6.175 ( 0.000 8.950 0.000) 8.950 6.225 ( 0.000 -27.405 0.000) 27.405 6.230 ( 0.000 3.276 0.000) 3.276 6.267 ( 0.000 -3.974 0.000) 3.974 6.380 ( 0.000 -9.621 0.000) 9.621 6.968 ( 0.000 2.752 0.000) 2.752 7.014 ( 0.000 -1.684 0.000) 1.684 7.154 ( 0.000 19.490 0.000) 19.490 7.237 ( 0.000 2.806 0.000) 2.806 7.336 ( 0.000 -6.049 0.000) 6.049 7.624 ( 0.000 -24.142 0.000) 24.142 9.181 ( 0.000 14.924 0.000) 14.924 9.442 ( 0.000 -9.227 0.000) 9.227 9.896 ( 0.000 16.302 0.000) 16.302 10.200 ( 0.000 -11.821 0.000) 11.821 12.019 ( 0.000 3.123 0.000) 3.123 12.036 ( 0.000 6.836 0.000) 6.836 12.086 ( 0.000 -3.166 0.000) 3.166 12.201 ( 0.000 -8.630 0.000) 8.630 13.675 ( 0.000 9.232 0.000) 9.232 13.866 ( 0.000 10.984 0.000) 10.984 13.921 ( 0.000 -13.403 0.000) 13.403 14.083 ( 0.000 -9.126 0.000) 9.126 14.402 ( 0.000 1.591 0.000) 1.591 14.437 ( 0.000 -1.601 0.000) 1.601 14.530 ( 0.000 0.701 0.000) 0.701 14.551 ( 0.000 -1.225 0.000) 1.225 17.181 ( 0.000 1.884 0.000) 1.884 17.223 ( 0.000 -1.989 0.000) 1.989 17.258 ( 0.000 1.311 0.000) 1.311 17.288 ( 0.000 -1.436 0.000) 1.436 17.620 ( 0.000 2.518 0.000) 2.518 17.681 ( 0.000 -3.055 0.000) 3.055 17.874 ( 0.000 -0.160 0.000) 0.160 17.884 ( 0.000 -1.483 0.000) 1.483 20.259 ( 0.000 10.338 0.000) 10.338 20.452 ( 0.000 -7.683 0.000) 7.683 20.481 ( 0.000 8.072 0.000) 8.072 20.651 ( 0.000 -7.569 0.000) 7.569 28.828 ( 0.000 0.632 0.000) 0.632 28.840 ( 0.000 -0.515 0.000) 0.515 29.064 ( 0.000 0.618 0.000) 0.618 29.078 ( 0.000 -0.713 0.000) 0.713 30.094 ( 0.000 5.792 0.000) 5.792 30.222 ( 0.000 -6.014 0.000) 6.014 31.924 ( 0.000 7.716 0.000) 7.716 32.063 ( 0.000 -5.002 0.000) 5.002 32.859 ( 0.000 9.771 0.000) 9.771 33.033 ( 0.000 11.628 0.000) 11.628 33.087 ( 0.000 -11.272 0.000) 11.272 33.377 ( 0.000 -20.533 0.000) 20.533 35.625 ( 0.000 6.418 0.000) 6.418 35.711 ( 0.000 -1.157 0.000) 1.157 36.662 ( 0.000 8.923 0.000) 8.923 36.841 ( 0.000 -7.634 0.000) 7.634 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -13.120 35.466 0.000) 37.815 2.427 ( 5.849 33.462 0.000) 33.969 2.936 ( -5.457 8.725 0.000) 10.291 3.093 ( -3.574 -12.532 0.000) 13.032 3.108 ( -0.559 -27.511 0.000) 27.517 3.459 ( -8.600 10.529 0.000) 13.595 3.460 ( -4.101 -17.461 0.000) 17.937 3.783 ( -10.090 -17.500 0.000) 20.200 3.850 ( 19.268 17.146 0.000) 25.792 4.290 ( 15.660 -17.483 0.000) 23.471 4.426 ( 4.167 16.323 0.000) 16.847 4.615 ( 8.149 -1.230 0.000) 8.241 4.936 ( 7.872 14.386 0.000) 16.399 5.252 ( 15.449 -14.496 0.000) 21.185 5.259 ( -11.186 16.356 0.000) 19.816 5.286 ( -4.723 9.591 0.000) 10.691 5.771 ( -15.275 -7.896 0.000) 17.195 5.919 ( 1.848 -20.633 0.000) 20.715 6.206 ( 3.158 8.780 0.000) 9.331 6.405 ( 11.052 9.012 0.000) 14.260 6.407 ( 2.853 -9.083 0.000) 9.521 6.593 ( 12.576 -7.601 0.000) 14.695 6.747 ( -19.293 4.971 0.000) 19.923 6.789 ( -16.698 0.580 0.000) 16.708 7.250 ( 3.621 13.523 0.000) 14.000 7.399 ( 12.807 2.480 0.000) 13.045 7.495 ( 15.295 -5.723 0.000) 16.330 7.646 ( 1.887 -21.524 0.000) 21.606 9.107 ( -4.426 15.524 0.000) 16.142 9.423 ( -1.721 -13.399 0.000) 13.509 9.875 ( -2.520 19.305 0.000) 19.469 10.264 ( 3.743 -16.889 0.000) 17.298 11.973 ( -5.438 5.884 0.000) 8.012 12.009 ( -1.128 2.873 0.000) 3.086 12.073 ( -1.441 -3.165 0.000) 3.477 12.124 ( -7.232 -8.227 0.000) 10.954 13.674 ( -0.081 10.102 0.000) 10.102 13.819 ( -4.255 13.043 0.000) 13.719 13.935 ( 1.350 -13.947 0.000) 14.012 14.078 ( -0.551 -11.186 0.000) 11.199 14.399 ( 0.441 3.172 0.000) 3.203 14.464 ( 2.237 -2.674 0.000) 3.486 14.522 ( -0.562 1.799 0.000) 1.884 14.562 ( 0.750 -1.912 0.000) 2.054 17.179 ( -0.162 1.580 0.000) 1.588 17.216 ( -0.649 -1.887 0.000) 1.996 17.228 ( -2.511 1.784 0.000) 3.080 17.269 ( -1.833 -1.994 0.000) 2.709 17.617 ( 0.113 3.420 0.000) 3.422 17.696 ( 1.210 -3.870 0.000) 4.054 17.840 ( -3.133 0.449 0.000) 3.165 17.868 ( -1.821 -2.006 0.000) 2.709 20.273 ( 1.535 9.948 0.000) 10.066 20.457 ( 0.509 -7.223 0.000) 7.241 20.479 ( -0.248 6.480 0.000) 6.484 20.607 ( -4.058 -5.046 0.000) 6.476 28.840 ( 1.396 1.066 0.000) 1.756 28.862 ( 2.114 -0.961 0.000) 2.322 29.043 ( -1.926 0.935 0.000) 2.141 29.068 ( -1.168 -1.406 0.000) 1.828 30.281 ( 18.062 7.284 0.000) 19.476 30.460 ( 22.703 -9.646 0.000) 24.667 31.840 ( -8.533 9.128 0.000) 12.496 32.018 ( -5.024 -7.065 0.000) 8.669 32.867 ( 0.815 9.689 0.000) 9.724 33.017 ( -1.610 11.134 0.000) 11.250 33.095 ( 0.837 -11.391 0.000) 11.422 33.343 ( -3.338 -19.492 0.000) 19.776 35.677 ( 5.383 6.459 0.000) 8.407 35.763 ( 5.379 -1.185 0.000) 5.508 36.579 ( -8.329 7.809 0.000) 11.418 36.721 ( -11.590 -5.083 0.000) 12.655 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 4.936 28.779 0.000) 29.199 2.560 ( 7.001 26.441 0.000) 27.352 2.820 ( -6.019 4.333 0.000) 7.417 2.969 ( -15.739 -1.514 0.000) 15.811 3.043 ( 0.373 -12.593 0.000) 12.599 3.314 ( -4.282 -11.149 0.000) 11.943 3.374 ( -2.973 -22.785 0.000) 22.978 3.495 ( -16.795 -18.899 0.000) 25.284 4.274 ( 19.787 15.253 0.000) 24.983 4.513 ( 8.442 -5.595 0.000) 10.128 4.526 ( 4.051 17.199 0.000) 17.670 4.794 ( 5.826 -6.676 0.000) 8.861 5.103 ( -2.895 8.730 0.000) 9.198 5.112 ( 7.308 16.652 0.000) 18.185 5.226 ( 1.722 -0.469 0.000) 1.785 5.511 ( 6.869 -18.166 0.000) 19.421 5.677 ( 5.901 6.446 0.000) 8.739 5.954 ( 1.741 -16.318 0.000) 16.411 6.237 ( -9.622 6.508 0.000) 11.616 6.316 ( -15.977 0.166 0.000) 15.978 6.431 ( -5.231 6.041 0.000) 7.991 6.572 ( 5.527 7.111 0.000) 9.006 6.596 ( 5.690 -8.430 0.000) 10.171 6.726 ( 1.701 -5.060 0.000) 5.338 7.297 ( 2.987 16.711 0.000) 16.976 7.621 ( 0.582 8.173 0.000) 8.193 7.697 ( 3.646 -17.994 0.000) 18.359 7.699 ( 7.466 2.075 0.000) 7.749 9.175 ( 12.959 7.672 0.000) 15.060 9.447 ( 8.007 -17.277 0.000) 19.042 9.757 ( -10.710 19.541 0.000) 22.283 10.208 ( -12.096 -21.953 0.000) 25.065 11.892 ( -1.365 2.887 0.000) 3.193 11.973 ( -2.432 1.760 0.000) 3.003 11.984 ( -5.330 -5.557 0.000) 7.700 12.024 ( -3.613 -3.071 0.000) 4.742 13.674 ( 0.267 12.156 0.000) 12.159 13.736 ( -3.567 15.117 0.000) 15.532 13.968 ( 2.012 -14.997 0.000) 15.131 14.054 ( -1.962 -14.642 0.000) 14.773 14.431 ( 2.608 4.376 0.000) 5.094 14.510 ( -0.887 3.095 0.000) 3.219 14.511 ( 2.432 -3.017 0.000) 3.875 14.569 ( -0.206 -2.420 0.000) 2.429 17.176 ( -0.122 0.824 0.000) 0.833 17.185 ( -1.532 1.716 0.000) 2.300 17.201 ( -0.732 -1.533 0.000) 1.699 17.229 ( -2.014 -2.190 0.000) 2.976 17.635 ( 1.826 3.736 0.000) 4.159 17.724 ( 1.724 -4.316 0.000) 4.648 17.765 ( -4.286 1.765 0.000) 4.636 17.820 ( -2.871 -3.034 0.000) 4.177 20.318 ( 3.060 8.632 0.000) 9.159 20.461 ( -2.258 4.191 0.000) 4.760 20.470 ( 0.792 -5.738 0.000) 5.792 20.524 ( -3.482 -1.548 0.000) 3.810 28.880 ( 2.640 1.603 0.000) 3.089 28.915 ( 3.153 -1.569 0.000) 3.522 28.996 ( -2.838 1.496 0.000) 3.209 29.033 ( -2.402 -1.952 0.000) 3.095 30.721 ( 25.463 10.422 0.000) 27.514 30.990 ( 29.121 -15.114 0.000) 32.809 31.596 ( -16.604 11.469 0.000) 20.181 31.849 ( -12.943 -11.635 0.000) 17.404 32.891 ( 1.630 9.526 0.000) 9.664 32.976 ( -2.410 10.153 0.000) 10.435 33.122 ( 2.053 -12.025 0.000) 12.199 33.261 ( -4.683 -16.775 0.000) 17.417 35.832 ( 10.558 6.481 0.000) 12.388 35.916 ( 10.258 -1.059 0.000) 10.313 36.359 ( -13.716 6.012 0.000) 14.975 36.443 ( -15.777 -1.156 0.000) 15.819 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -16.389 17.059 0.000) 23.656 2.565 ( 16.389 17.059 0.000) 23.656 2.716 ( -3.174 14.100 0.000) 14.452 2.716 ( 3.174 14.100 0.000) 14.452 3.150 ( -10.644 -15.253 0.000) 18.599 3.150 ( 10.644 -15.253 0.000) 18.599 3.344 ( -0.020 -23.217 0.000) 23.217 3.344 ( 0.020 -23.217 0.000) 23.217 4.525 ( -5.070 11.907 0.000) 12.942 4.525 ( 5.070 11.907 0.000) 12.942 4.694 ( -11.252 -3.626 0.000) 11.821 4.694 ( 11.252 -3.626 0.000) 11.821 5.152 ( -3.115 14.151 0.000) 14.490 5.152 ( 3.115 14.151 0.000) 14.490 5.425 ( -13.384 -7.651 0.000) 15.417 5.425 ( 13.384 -7.651 0.000) 15.417 5.925 ( -18.582 1.932 0.000) 18.683 5.925 ( 18.582 1.932 0.000) 18.683 6.018 ( -6.405 -6.607 0.000) 9.202 6.018 ( 6.405 -6.607 0.000) 9.202 6.571 ( -7.103 5.334 0.000) 8.882 6.571 ( 7.103 5.334 0.000) 8.882 6.702 ( -3.096 -5.116 0.000) 5.980 6.702 ( 3.096 -5.116 0.000) 5.980 7.436 ( -11.793 18.760 0.000) 22.159 7.436 ( 11.793 18.760 0.000) 22.159 7.769 ( -1.997 -9.310 0.000) 9.522 7.769 ( 1.997 -9.310 0.000) 9.522 9.477 ( -16.420 10.806 0.000) 19.656 9.477 ( 16.420 10.806 0.000) 19.656 9.813 ( -25.282 -19.763 0.000) 32.090 9.813 ( 25.282 -19.763 0.000) 32.090 11.923 ( -2.938 0.152 0.000) 2.942 11.923 ( 2.938 0.152 0.000) 2.942 11.953 ( -2.165 -2.691 0.000) 3.454 11.953 ( 2.165 -2.691 0.000) 3.454 13.689 ( -1.425 14.297 0.000) 14.368 13.689 ( 1.425 14.297 0.000) 14.368 14.010 ( -2.302 -15.562 0.000) 15.731 14.010 ( 2.302 -15.562 0.000) 15.731 14.481 ( -2.161 3.829 0.000) 4.397 14.481 ( 2.161 3.829 0.000) 4.397 14.551 ( -1.623 -2.626 0.000) 3.087 14.551 ( 1.623 -2.626 0.000) 3.087 17.173 ( -0.107 0.787 0.000) 0.794 17.173 ( 0.107 0.787 0.000) 0.794 17.200 ( -0.793 -1.595 0.000) 1.781 17.200 ( 0.793 -1.595 0.000) 1.781 17.687 ( -3.508 3.054 0.000) 4.651 17.687 ( 3.508 3.054 0.000) 4.651 17.765 ( -2.578 -3.932 0.000) 4.702 17.765 ( 2.578 -3.932 0.000) 4.702 20.390 ( -4.197 6.223 0.000) 7.506 20.390 ( 4.197 6.223 0.000) 7.506 20.487 ( -1.026 -3.223 0.000) 3.382 20.487 ( 1.026 -3.223 0.000) 3.382 28.937 ( -3.106 1.784 0.000) 3.582 28.937 ( 3.106 1.784 0.000) 3.582 28.978 ( -3.182 -1.946 0.000) 3.729 28.978 ( 3.182 -1.946 0.000) 3.729 31.205 ( -23.422 12.250 0.000) 26.432 31.205 ( 23.422 12.250 0.000) 26.432 31.504 ( -22.741 -15.577 0.000) 27.564 31.504 ( 22.741 -15.577 0.000) 27.564 32.929 ( -2.291 9.557 0.000) 9.828 32.929 ( 2.291 9.557 0.000) 9.828 33.178 ( -3.702 -13.808 0.000) 14.296 33.178 ( 3.702 -13.808 0.000) 14.296 36.078 ( -14.411 6.087 0.000) 15.644 36.078 ( 14.411 6.087 0.000) 15.644 36.152 ( -13.888 -0.512 0.000) 13.898 36.152 ( 13.888 -0.512 0.000) 13.898 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 0.000 37.508) 37.508 0.725 ( 0.000 0.000 37.209) 37.209 1.134 ( 0.000 0.000 59.592) 59.592 2.760 ( 0.000 0.000 27.787) 27.787 2.920 ( 0.000 0.000 1.926) 1.926 3.045 ( 0.000 0.000 2.139) 2.139 3.390 ( 0.000 0.000 4.127) 4.127 3.934 ( 0.000 0.000 -8.298) 8.298 4.146 ( 0.000 0.000 1.135) 1.135 4.497 ( 0.000 0.000 6.122) 6.122 4.561 ( 0.000 0.000 0.574) 0.574 4.673 ( 0.000 0.000 11.006) 11.006 4.869 ( 0.000 0.000 2.128) 2.128 4.977 ( 0.000 0.000 1.551) 1.551 5.130 ( 0.000 0.000 -1.629) 1.629 5.458 ( 0.000 0.000 6.918) 6.918 5.682 ( 0.000 0.000 -6.127) 6.127 5.870 ( 0.000 0.000 4.750) 4.750 5.958 ( 0.000 0.000 -9.431) 9.431 6.464 ( 0.000 0.000 17.762) 17.762 6.652 ( 0.000 0.000 -5.934) 5.934 6.806 ( 0.000 0.000 -5.352) 5.352 7.050 ( 0.000 0.000 -0.499) 0.499 7.216 ( 0.000 0.000 -2.109) 2.109 7.361 ( 0.000 0.000 -6.111) 6.111 7.417 ( 0.000 0.000 -16.195) 16.195 8.236 ( 0.000 0.000 -3.794) 3.794 8.527 ( 0.000 0.000 11.434) 11.434 8.708 ( 0.000 0.000 -6.333) 6.333 9.082 ( 0.000 0.000 -14.183) 14.183 9.644 ( 0.000 0.000 -2.695) 2.695 10.489 ( 0.000 0.000 -1.025) 1.025 11.742 ( 0.000 0.000 -3.812) 3.812 11.850 ( 0.000 0.000 -1.766) 1.766 12.167 ( 0.000 0.000 -5.572) 5.572 12.302 ( 0.000 0.000 -15.929) 15.929 12.900 ( 0.000 0.000 9.284) 9.284 13.437 ( 0.000 0.000 -2.718) 2.718 14.318 ( 0.000 0.000 0.190) 0.190 14.338 ( 0.000 0.000 3.705) 3.705 14.475 ( 0.000 0.000 3.763) 3.763 14.504 ( 0.000 0.000 -0.676) 0.676 14.634 ( 0.000 0.000 0.913) 0.913 15.188 ( 0.000 0.000 -1.271) 1.271 17.107 ( 0.000 0.000 0.494) 0.494 17.203 ( 0.000 0.000 -0.534) 0.534 17.341 ( 0.000 0.000 -0.815) 0.815 17.566 ( 0.000 0.000 2.402) 2.402 17.826 ( 0.000 0.000 -1.795) 1.795 17.831 ( 0.000 0.000 1.035) 1.035 17.877 ( 0.000 0.000 -0.777) 0.777 18.173 ( 0.000 0.000 -2.504) 2.504 19.651 ( 0.000 0.000 0.854) 0.854 20.119 ( 0.000 0.000 -2.967) 2.967 20.124 ( 0.000 0.000 3.965) 3.965 20.715 ( 0.000 0.000 2.671) 2.671 28.831 ( 0.000 0.000 2.992) 2.992 28.930 ( 0.000 0.000 -6.037) 6.037 29.099 ( 0.000 0.000 -0.822) 0.822 29.171 ( 0.000 0.000 5.796) 5.796 29.935 ( 0.000 0.000 5.344) 5.344 30.480 ( 0.000 0.000 2.141) 2.141 31.789 ( 0.000 0.000 -4.489) 4.489 32.213 ( 0.000 0.000 2.689) 2.689 32.650 ( 0.000 0.000 12.140) 12.140 33.536 ( 0.000 0.000 -4.783) 4.783 34.366 ( 0.000 0.000 2.593) 2.593 34.955 ( 0.000 0.000 3.465) 3.465 35.117 ( 0.000 0.000 -0.730) 0.730 35.222 ( 0.000 0.000 0.459) 0.459 35.866 ( 0.000 0.000 -1.424) 1.424 36.215 ( 0.000 0.000 -4.279) 4.279 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 31.935 0.000 21.684) 38.601 1.103 ( 31.617 0.000 22.990) 39.092 1.894 ( 58.205 0.000 34.483) 67.653 2.699 ( -6.479 0.000 27.450) 28.205 2.892 ( -3.505 0.000 1.862) 3.969 3.055 ( 1.054 0.000 2.294) 2.525 3.333 ( -5.281 0.000 3.989) 6.619 4.099 ( 14.689 0.000 -9.445) 17.463 4.225 ( 9.548 0.000 1.719) 9.702 4.524 ( 2.152 0.000 6.095) 6.464 4.579 ( 2.794 0.000 -0.110) 2.796 4.705 ( 5.442 0.000 8.255) 9.888 4.886 ( 2.782 0.000 3.583) 4.536 5.091 ( 9.435 0.000 2.582) 9.782 5.109 ( -2.224 0.000 -1.329) 2.591 5.576 ( -8.113 0.000 -5.713) 9.923 5.713 ( 3.536 0.000 -5.720) 6.724 5.887 ( -8.852 0.000 -3.332) 9.459 6.141 ( 18.211 0.000 -12.039) 21.830 6.424 ( -6.929 0.000 11.542) 13.462 6.598 ( -7.288 0.000 -5.533) 9.151 6.674 ( -3.830 0.000 -6.014) 7.130 6.938 ( -22.819 0.000 -2.802) 22.990 7.060 ( 0.464 0.000 0.519) 0.696 7.178 ( -13.677 0.000 0.671) 13.693 7.372 ( -2.246 0.000 -14.733) 14.903 8.028 ( -29.014 0.000 4.178) 29.313 8.209 ( -41.406 0.000 24.432) 48.076 8.555 ( 24.919 0.000 -4.001) 25.238 9.103 ( 19.414 0.000 0.089) 19.414 9.836 ( 19.840 0.000 -1.915) 19.932 11.218 ( 21.223 0.000 -34.470) 40.479 11.775 ( 4.928 0.000 -8.961) 10.227 11.856 ( 0.714 0.000 -2.024) 2.146 12.130 ( -3.599 0.000 -5.370) 6.465 12.239 ( -5.741 0.000 -12.507) 13.762 12.925 ( 2.921 0.000 8.128) 8.637 13.398 ( -3.951 0.000 -2.304) 4.574 14.240 ( -3.267 0.000 1.348) 3.535 14.434 ( 1.646 0.000 0.950) 1.901 14.453 ( -0.694 0.000 0.668) 0.963 14.562 ( 6.707 0.000 0.968) 6.776 14.656 ( 1.251 0.000 1.204) 1.736 15.158 ( -3.940 0.000 2.568) 4.703 17.119 ( 1.245 0.000 -0.271) 1.274 17.213 ( 0.994 0.000 -0.577) 1.149 17.270 ( -6.982 0.000 1.101) 7.068 17.401 ( -6.919 0.000 0.946) 6.984 17.698 ( -0.383 0.000 3.388) 3.410 17.872 ( 1.705 0.000 0.360) 1.743 17.942 ( -0.448 0.000 1.783) 1.839 18.149 ( -2.262 0.000 -1.860) 2.929 19.657 ( 0.655 0.000 1.012) 1.206 19.961 ( -7.700 0.000 1.357) 7.819 20.291 ( 8.625 0.000 -0.141) 8.626 20.702 ( -1.424 0.000 2.342) 2.741 28.803 ( -2.307 0.000 -0.135) 2.311 28.900 ( 3.659 0.000 1.025) 3.800 29.092 ( -6.168 0.000 4.494) 7.631 29.186 ( 1.176 0.000 -2.489) 2.753 30.082 ( 14.013 0.000 4.563) 14.737 31.094 ( 31.329 0.000 -25.916) 40.659 31.726 ( -2.816 0.000 -11.006) 11.361 32.225 ( 0.376 0.000 0.282) 0.470 32.669 ( 2.340 0.000 12.236) 12.458 33.353 ( -14.386 0.000 10.926) 18.065 34.391 ( 2.612 0.000 2.510) 3.622 34.942 ( -10.590 0.000 0.511) 10.603 34.968 ( 1.421 0.000 3.158) 3.463 35.412 ( 12.088 0.000 -0.868) 12.119 35.484 ( -21.193 0.000 16.073) 26.598 36.172 ( -4.389 0.000 -4.091) 6.000 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 29.924 0.000 19.736) 35.846 1.758 ( 33.788 0.000 11.935) 35.833 2.482 ( -12.818 0.000 24.308) 27.481 2.741 ( -13.477 0.000 2.911) 13.788 3.084 ( 1.935 0.000 2.591) 3.234 3.116 ( 62.305 0.000 11.570) 63.370 3.217 ( -5.707 0.000 3.764) 6.836 4.344 ( 8.113 0.000 -6.686) 10.513 4.498 ( 16.357 0.000 -1.521) 16.427 4.518 ( -2.468 0.000 0.945) 2.643 4.729 ( 9.893 0.000 -2.957) 10.325 4.888 ( 12.437 0.000 5.636) 13.654 4.994 ( -0.832 0.000 -1.674) 1.869 5.132 ( 17.589 0.000 7.340) 19.059 5.207 ( -1.745 0.000 3.945) 4.314 5.280 ( -32.359 0.000 -8.982) 33.582 5.583 ( -3.954 0.000 0.349) 3.970 5.837 ( 9.659 0.000 -4.275) 10.563 6.022 ( -20.761 0.000 17.202) 26.962 6.219 ( -13.626 0.000 -1.916) 13.760 6.280 ( -24.891 0.000 -5.417) 25.474 6.512 ( -21.675 0.000 0.204) 21.676 6.906 ( 17.819 0.000 -8.484) 19.736 7.030 ( 0.542 0.000 2.093) 2.162 7.070 ( -0.085 0.000 2.415) 2.416 7.342 ( -0.294 0.000 -12.197) 12.201 7.573 ( -16.056 0.000 -0.829) 16.078 7.643 ( -21.505 0.000 12.071) 24.662 9.023 ( 21.360 0.000 -3.278) 21.610 9.357 ( 6.123 0.000 -0.651) 6.158 10.299 ( 26.194 0.000 -3.986) 26.496 11.207 ( -14.780 0.000 -12.511) 19.364 11.882 ( 2.130 0.000 -2.744) 3.473 11.915 ( 7.096 0.000 -16.806) 18.243 12.040 ( -5.305 0.000 -4.737) 7.112 12.123 ( -5.462 0.000 -11.785) 12.989 13.015 ( 6.161 0.000 4.847) 7.839 13.292 ( -6.710 0.000 -0.898) 6.770 14.210 ( 0.273 0.000 0.743) 0.792 14.341 ( -5.435 0.000 -0.564) 5.464 14.548 ( 4.877 0.000 2.317) 5.399 14.662 ( -0.731 0.000 1.747) 1.894 14.703 ( 7.887 0.000 2.369) 8.235 15.035 ( -8.138 0.000 5.447) 9.793 17.148 ( 1.548 0.000 -1.104) 1.902 17.190 ( -1.410 0.000 -3.393) 3.674 17.239 ( 1.613 0.000 -0.400) 1.662 17.323 ( -2.976 0.000 -0.693) 3.056 17.726 ( 2.821 0.000 -1.325) 3.117 17.881 ( -3.153 0.000 -0.909) 3.282 17.936 ( 2.759 0.000 4.057) 4.906 18.089 ( -3.758 0.000 0.547) 3.798 19.681 ( 1.903 0.000 1.432) 2.381 19.829 ( -5.903 0.000 1.930) 6.211 20.448 ( 7.418 0.000 -0.188) 7.420 20.657 ( -3.261 0.000 1.489) 3.585 28.801 ( 1.764 0.000 -1.560) 2.355 28.964 ( -5.301 0.000 0.688) 5.346 28.995 ( 4.337 0.000 2.093) 4.816 29.164 ( -2.821 0.000 1.704) 3.296 30.426 ( 20.429 0.000 3.752) 20.771 31.192 ( -13.656 0.000 -0.018) 13.656 31.876 ( 13.588 0.000 -27.683) 30.838 32.198 ( -3.426 0.000 -6.732) 7.554 32.752 ( 6.160 0.000 14.054) 15.344 33.095 ( -11.634 0.000 18.353) 21.730 34.466 ( 5.106 0.000 2.260) 5.584 34.749 ( -9.272 0.000 1.271) 9.359 35.011 ( 3.018 0.000 2.722) 4.064 35.213 ( -8.848 0.000 8.245) 12.094 35.647 ( 11.964 0.000 -1.868) 12.109 36.050 ( -8.077 0.000 -3.563) 8.828 ======================= Grid point 52 (20/96) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -20.836 0.000 22.691) 30.806 2.155 ( 20.836 0.000 22.691) 30.806 2.351 ( -26.335 0.000 6.254) 27.067 2.351 ( 26.335 0.000 6.254) 27.067 3.132 ( -3.215 0.000 3.059) 4.438 3.132 ( 3.215 0.000 3.059) 4.438 4.268 ( -52.950 0.000 -6.088) 53.299 4.268 ( 52.950 0.000 -6.088) 53.299 4.451 ( -4.189 0.000 -1.894) 4.597 4.451 ( 4.189 0.000 -1.894) 4.597 4.889 ( -7.101 0.000 -3.112) 7.753 4.889 ( 7.101 0.000 -3.112) 7.753 4.905 ( -9.956 0.000 -1.902) 10.136 4.905 ( 9.956 0.000 -1.902) 10.136 5.386 ( -22.124 0.000 13.958) 26.159 5.386 ( 22.124 0.000 13.958) 26.159 5.696 ( -32.971 0.000 1.290) 32.996 5.696 ( 32.971 0.000 1.290) 32.996 5.929 ( -13.188 0.000 5.363) 14.237 5.929 ( 13.188 0.000 5.363) 14.237 6.109 ( -17.695 0.000 -1.495) 17.758 6.109 ( 17.695 0.000 -1.495) 17.758 7.048 ( -2.224 0.000 2.064) 3.035 7.048 ( 2.224 0.000 2.064) 3.035 7.277 ( -17.663 0.000 -0.334) 17.666 7.277 ( 17.663 0.000 -0.334) 17.666 7.385 ( -5.110 0.000 -7.497) 9.073 7.385 ( 5.110 0.000 -7.497) 9.073 9.327 ( -9.129 0.000 -2.037) 9.353 9.327 ( 9.129 0.000 -2.037) 9.353 10.803 ( -24.889 0.000 -5.801) 25.556 10.803 ( 24.889 0.000 -5.801) 25.556 11.944 ( -4.253 0.000 -3.752) 5.671 11.944 ( 4.253 0.000 -3.752) 5.671 12.027 ( -4.924 0.000 -14.310) 15.133 12.027 ( 4.924 0.000 -14.310) 15.133 13.151 ( -7.523 0.000 1.539) 7.679 13.151 ( 7.523 0.000 1.539) 7.679 14.249 ( -3.666 0.000 0.003) 3.666 14.249 ( 3.666 0.000 0.003) 3.666 14.626 ( -3.027 0.000 2.137) 3.705 14.626 ( 3.027 0.000 2.137) 3.705 14.866 ( -8.888 0.000 4.480) 9.953 14.866 ( 8.888 0.000 4.480) 9.953 17.174 ( -0.928 0.000 -2.588) 2.749 17.174 ( 0.928 0.000 -2.588) 2.749 17.274 ( -2.063 0.000 -0.731) 2.189 17.274 ( 2.063 0.000 -0.731) 2.189 17.800 ( -4.460 0.000 -2.759) 5.245 17.800 ( 4.460 0.000 -2.759) 5.245 18.010 ( -4.253 0.000 3.197) 5.320 18.010 ( 4.253 0.000 3.197) 5.320 19.735 ( -3.791 0.000 1.872) 4.228 19.735 ( 3.791 0.000 1.872) 4.228 20.573 ( -5.433 0.000 0.482) 5.454 20.573 ( 5.433 0.000 0.482) 5.454 28.862 ( -4.418 0.000 -1.107) 4.554 28.862 ( 4.418 0.000 -1.107) 4.554 29.090 ( -4.602 0.000 2.531) 5.252 29.090 ( 4.602 0.000 2.531) 5.252 30.835 ( -20.984 0.000 3.098) 21.211 30.835 ( 20.984 0.000 3.098) 21.211 32.088 ( -8.100 0.000 -16.858) 18.703 32.088 ( 8.100 0.000 -16.858) 18.703 32.899 ( -8.871 0.000 16.948) 19.129 32.899 ( 8.871 0.000 16.948) 19.129 34.587 ( -7.366 0.000 1.847) 7.594 34.587 ( 7.366 0.000 1.847) 7.594 35.087 ( -4.935 0.000 3.620) 6.120 35.087 ( 4.935 0.000 3.620) 6.120 35.867 ( -10.633 0.000 -2.787) 10.992 35.867 ( 10.633 0.000 -2.787) 10.992 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 25.987 24.328) 35.598 1.145 ( 0.000 32.594 21.222) 38.894 1.713 ( 0.000 42.542 38.269) 57.222 2.779 ( 0.000 2.883 23.598) 23.773 3.160 ( 0.000 19.635 4.456) 20.135 3.367 ( 0.000 -0.631 5.292) 5.329 3.465 ( 0.000 14.221 -15.282) 20.875 4.040 ( 0.000 7.108 -9.422) 11.802 4.252 ( 0.000 7.968 1.583) 8.123 4.473 ( 0.000 -4.270 3.882) 5.771 4.495 ( 0.000 -5.615 2.622) 6.197 4.634 ( 0.000 -0.488 7.494) 7.510 4.708 ( 0.000 -8.496 6.635) 10.780 5.005 ( 0.000 2.271 0.592) 2.347 5.142 ( 0.000 -11.124 -3.994) 11.819 5.428 ( 0.000 -2.972 7.223) 7.810 5.759 ( 0.000 6.787 -9.852) 11.963 5.950 ( 0.000 3.734 -11.569) 12.156 5.965 ( 0.000 7.181 2.515) 7.609 6.453 ( 0.000 0.726 13.297) 13.317 6.619 ( 0.000 -3.143 -5.606) 6.428 6.792 ( 0.000 -1.158 -6.104) 6.213 7.047 ( 0.000 -0.298 -0.581) 0.653 7.095 ( 0.000 -10.445 0.335) 10.451 7.260 ( 0.000 -7.013 -6.880) 9.824 7.356 ( 0.000 -7.041 -8.564) 11.087 7.800 ( 0.000 -36.180 25.134) 44.053 8.391 ( 0.000 6.937 -8.053) 10.629 8.584 ( 0.000 -6.019 -0.117) 6.020 9.218 ( 0.000 11.635 0.649) 11.653 9.642 ( 0.000 0.548 1.576) 1.669 10.475 ( 0.000 -1.633 -0.839) 1.836 11.724 ( 0.000 -0.530 -7.108) 7.128 11.913 ( 0.000 4.582 0.154) 4.585 12.124 ( 0.000 -2.546 -7.968) 8.365 12.414 ( 0.000 -2.125 -20.704) 20.813 13.162 ( 0.000 18.742 -4.824) 19.353 13.449 ( 0.000 1.304 -2.598) 2.907 14.336 ( 0.000 -0.622 3.499) 3.554 14.340 ( 0.000 1.410 -1.708) 2.215 14.409 ( 0.000 -3.897 0.175) 3.901 14.544 ( 0.000 1.919 3.063) 3.615 14.579 ( 0.000 -8.225 1.590) 8.377 14.857 ( 0.000 -15.002 10.733) 18.447 17.117 ( 0.000 0.926 0.400) 1.009 17.169 ( 0.000 -2.159 -0.574) 2.234 17.331 ( 0.000 -0.886 -0.915) 1.274 17.424 ( 0.000 -8.701 5.622) 10.359 17.606 ( 0.000 -1.031 4.984) 5.090 17.811 ( 0.000 -1.777 1.127) 2.104 17.875 ( 0.000 -0.226 -0.931) 0.958 18.084 ( 0.000 -7.001 -1.836) 7.238 19.877 ( 0.000 9.901 8.754) 13.216 20.156 ( 0.000 3.338 -3.588) 4.900 20.544 ( 0.000 16.586 -21.630) 27.257 20.698 ( 0.000 -1.573 3.194) 3.560 28.832 ( 0.000 0.024 2.615) 2.615 28.857 ( 0.000 -3.571 -1.988) 4.087 29.098 ( 0.000 -0.019 -0.430) 0.430 29.154 ( 0.000 -0.795 7.316) 7.359 29.956 ( 0.000 2.072 4.951) 5.367 30.449 ( 0.000 -2.773 2.202) 3.541 31.759 ( 0.000 -0.393 1.791) 1.834 32.202 ( 0.000 -0.982 2.511) 2.696 32.671 ( 0.000 1.959 12.527) 12.680 33.332 ( 0.000 -29.170 38.646) 48.419 33.451 ( 0.000 -7.573 -5.432) 9.320 34.549 ( 0.000 -23.688 7.578) 24.871 35.289 ( 0.000 5.941 -0.083) 5.942 35.406 ( 0.000 13.161 -3.300) 13.568 36.278 ( 0.000 5.508 -4.076) 6.852 36.654 ( 0.000 20.384 -28.939) 35.398 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.17 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 18.960 15.212 20.563) 31.839 1.341 ( 22.581 21.600 21.985) 38.207 2.326 ( 46.267 32.513 21.527) 60.508 2.718 ( -4.964 3.991 24.369) 25.188 3.116 ( -6.048 16.437 4.175) 18.005 3.316 ( -3.894 2.177 3.474) 5.655 3.378 ( -4.503 16.123 -3.381) 17.078 4.118 ( 6.488 0.370 -9.568) 11.566 4.343 ( 7.901 7.507 1.611) 11.017 4.478 ( -0.178 -6.306 4.016) 7.479 4.506 ( 2.185 -5.947 1.849) 6.600 4.578 ( -0.149 -6.646 7.599) 10.096 4.775 ( 7.996 -3.796 9.215) 12.777 5.004 ( 0.886 -5.948 -3.385) 6.901 5.200 ( 7.220 -1.209 5.632) 9.237 5.638 ( -0.816 2.688 -9.294) 9.710 5.748 ( -0.803 4.900 -4.329) 6.587 5.929 ( -13.294 3.384 -7.326) 15.552 6.050 ( 20.220 -6.869 -7.328) 22.577 6.375 ( -11.238 0.154 10.387) 15.304 6.601 ( -8.933 -0.179 -5.977) 10.750 6.661 ( -1.589 -1.206 -3.600) 4.116 6.812 ( -13.917 -5.489 1.056) 14.998 6.978 ( -4.529 -6.795 0.795) 8.205 7.300 ( -5.686 2.936 -0.585) 6.426 7.358 ( 0.612 -2.572 -9.921) 10.268 7.688 ( -11.619 -17.190 15.455) 25.872 8.277 ( -23.944 -2.858 -0.080) 24.115 8.599 ( 16.546 5.484 -2.594) 17.623 9.206 ( 7.481 9.418 3.119) 12.425 9.798 ( 15.563 -3.603 -0.977) 16.004 10.897 ( 22.298 -18.427 -13.676) 31.997 11.737 ( 2.117 -1.360 -7.039) 7.475 11.907 ( -0.531 3.658 -0.456) 3.724 12.113 ( -1.200 -2.368 -8.251) 8.667 12.308 ( -10.424 -0.932 -17.701) 20.564 13.119 ( -2.065 15.577 1.222) 15.760 13.417 ( -3.244 1.983 -2.099) 4.343 14.258 ( -2.432 1.555 1.143) 3.105 14.424 ( -0.876 -3.342 -2.677) 4.370 14.442 ( 4.745 -0.568 1.901) 5.143 14.523 ( 1.112 -1.319 3.231) 3.663 14.610 ( 2.239 -6.448 1.808) 7.061 14.903 ( 2.219 -14.223 8.751) 16.846 17.128 ( 1.080 0.781 -0.336) 1.375 17.179 ( 0.991 -2.335 0.237) 2.548 17.266 ( -5.283 -0.021 -0.148) 5.285 17.366 ( -3.196 -2.424 0.718) 4.075 17.606 ( 0.788 -3.483 4.591) 5.817 17.851 ( 2.003 -2.384 0.744) 3.201 17.874 ( -0.596 -2.002 0.018) 2.089 18.058 ( -2.439 -6.967 -1.241) 7.485 19.856 ( -1.195 10.933 6.366) 12.707 20.164 ( -2.731 8.688 -5.491) 10.635 20.425 ( -4.474 11.623 -7.746) 14.667 20.687 ( -1.319 -1.390 2.837) 3.423 28.802 ( -1.354 -0.017 -0.629) 1.493 28.891 ( 3.950 -0.672 0.972) 4.123 29.088 ( -5.586 -0.282 3.740) 6.728 29.155 ( 1.665 -2.120 0.080) 2.697 30.108 ( 14.434 2.400 4.323) 15.258 30.940 ( 35.566 -12.452 -15.723) 40.832 31.662 ( -8.235 -1.904 0.939) 8.504 32.206 ( -0.445 -1.802 0.277) 1.877 32.687 ( 2.015 1.773 12.141) 12.435 33.181 ( -8.874 -11.969 22.188) 26.727 33.645 ( 12.818 -23.962 9.082) 28.652 34.485 ( -6.243 -23.768 7.273) 25.628 35.279 ( 0.692 11.432 -0.745) 11.477 35.509 ( 8.554 8.134 -3.003) 12.180 36.215 ( -9.409 8.831 -4.254) 13.587 36.322 ( -22.645 26.420 -13.666) 37.384 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.33 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 34.435 1.617 11.584) 36.367 1.819 ( 24.088 11.996 20.193) 33.644 2.511 ( -11.578 4.721 20.711) 24.192 2.862 ( -19.030 6.515 4.740) 20.665 3.231 ( 17.356 14.673 5.211) 23.317 3.277 ( -0.283 9.772 1.841) 9.948 3.448 ( 32.642 19.530 5.915) 38.496 4.240 ( 5.469 -9.863 -7.986) 13.820 4.390 ( -3.904 -12.180 0.174) 12.792 4.499 ( 3.786 -3.286 1.985) 5.392 4.558 ( 1.930 -11.289 1.724) 11.582 4.727 ( 13.474 -3.431 6.896) 15.521 5.020 ( 2.577 -3.162 -3.282) 5.236 5.087 ( 19.913 -2.264 6.951) 21.213 5.207 ( -23.129 -4.819 -0.344) 23.628 5.454 ( -5.715 15.384 -8.871) 18.655 5.631 ( 0.113 2.866 0.550) 2.920 5.898 ( 10.011 5.423 -2.314) 11.618 6.066 ( -15.778 4.386 13.562) 21.262 6.144 ( -12.960 -2.127 1.643) 13.236 6.334 ( -20.331 2.823 -2.798) 20.716 6.565 ( -12.097 4.439 -1.314) 12.952 6.803 ( 13.479 -7.483 -7.712) 17.238 6.977 ( 3.741 -5.225 -0.644) 6.459 7.156 ( -5.524 7.182 1.152) 9.134 7.383 ( -0.416 0.307 -9.418) 9.432 7.431 ( -10.272 -9.329 8.609) 16.330 7.803 ( -20.610 11.647 0.242) 23.674 9.019 ( 21.602 -0.333 -4.599) 22.089 9.359 ( 4.722 0.943 0.850) 4.890 10.174 ( 22.292 -11.358 -3.075) 25.207 11.004 ( -10.501 -16.720 -11.453) 22.826 11.835 ( 7.229 -3.709 -8.747) 11.938 11.903 ( 0.450 1.347 -2.495) 2.871 12.072 ( -3.374 -3.166 -10.443) 11.422 12.089 ( -9.362 -0.008 -10.589) 14.135 13.131 ( 3.184 10.188 2.962) 11.078 13.331 ( -5.391 3.743 -0.691) 6.599 14.241 ( 0.533 2.597 0.127) 2.654 14.354 ( -4.533 0.692 -1.431) 4.804 14.532 ( 4.158 -2.051 1.857) 4.994 14.592 ( 3.106 -6.169 1.069) 6.989 14.658 ( 3.822 -4.245 4.206) 7.094 14.886 ( -3.941 -10.552 7.882) 13.748 17.153 ( 1.292 0.336 -1.080) 1.717 17.194 ( -0.901 -0.184 -0.519) 1.056 17.216 ( 1.557 -1.317 -2.144) 2.959 17.310 ( -2.751 -1.224 -0.433) 3.042 17.642 ( 3.017 -5.161 1.308) 6.119 17.821 ( -4.268 -4.547 -1.129) 6.338 17.893 ( 2.188 -2.377 1.896) 3.746 18.002 ( -3.112 -6.077 1.071) 6.911 19.856 ( 1.476 12.097 3.035) 12.559 20.034 ( -7.620 14.923 -3.328) 17.083 20.464 ( 5.295 1.390 -0.822) 5.536 20.645 ( -3.065 -1.182 1.873) 3.781 28.809 ( 1.958 0.759 -1.504) 2.583 28.967 ( -3.381 0.162 0.739) 3.465 28.987 ( 2.517 -0.594 1.853) 3.181 29.142 ( -2.405 -1.814 1.867) 3.544 30.461 ( 20.921 3.262 3.523) 21.465 31.226 ( -11.230 2.956 -1.267) 11.681 31.709 ( 17.069 -14.088 -18.352) 28.751 32.157 ( -5.037 -3.968 -6.185) 8.909 32.757 ( 5.211 0.884 13.178) 14.199 33.022 ( -7.761 -4.568 18.436) 20.517 33.892 ( 12.480 -27.867 8.780) 31.771 34.327 ( -9.656 -24.607 7.031) 27.353 35.338 ( 5.516 16.383 -1.308) 17.336 35.678 ( 4.808 8.929 -5.233) 11.412 35.839 ( -13.910 24.763 -1.122) 28.424 36.115 ( -8.621 6.017 -3.982) 11.242 ======================= Grid point 59 (24/96) ======================= q-point: (-0.50 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -15.655 6.282 20.668) 26.678 2.219 ( 15.655 6.282 20.668) 26.678 2.382 ( -28.225 2.184 7.137) 29.195 2.382 ( 28.225 2.184 7.137) 29.195 3.278 ( -0.371 12.562 2.115) 12.745 3.278 ( 0.371 12.562 2.115) 12.745 4.240 ( -20.208 -8.657 -2.530) 22.129 4.240 ( 20.208 -8.657 -2.530) 22.129 4.414 ( -21.803 -3.183 -4.694) 22.528 4.414 ( 21.803 -3.183 -4.694) 22.528 4.614 ( -8.897 -7.348 1.581) 11.647 4.614 ( 8.897 -7.348 1.581) 11.647 4.980 ( -7.757 -3.023 -0.437) 8.337 4.980 ( 7.757 -3.023 -0.437) 8.337 5.425 ( -7.390 2.268 5.689) 9.598 5.425 ( 7.390 2.268 5.689) 9.598 5.809 ( -15.940 10.401 2.661) 19.219 5.809 ( 15.940 10.401 2.661) 19.219 5.942 ( -12.544 1.514 5.852) 13.924 5.942 ( 12.544 1.514 5.852) 13.924 6.225 ( -18.525 10.295 -0.596) 21.202 6.225 ( 18.525 10.295 -0.596) 21.202 7.057 ( -1.715 -2.972 -1.816) 3.882 7.057 ( 1.715 -2.971 -1.816) 3.882 7.134 ( -13.230 -8.615 -0.442) 15.794 7.134 ( 13.230 -8.615 -0.442) 15.794 7.519 ( -9.625 10.581 -4.322) 14.943 7.519 ( 9.625 10.581 -4.322) 14.943 9.325 ( -8.889 -0.257 -2.278) 9.180 9.325 ( 8.889 -0.257 -2.278) 9.180 10.634 ( -23.989 -15.048 -5.839) 28.914 10.634 ( 23.989 -15.048 -5.839) 28.914 11.927 ( -0.886 -1.487 -4.565) 4.882 11.927 ( 0.886 -1.487 -4.565) 4.882 12.002 ( -2.824 -2.098 -11.778) 12.292 12.002 ( 2.824 -2.098 -11.778) 12.292 13.221 ( -5.575 6.437 1.234) 8.605 13.221 ( 5.575 6.437 1.234) 8.605 14.277 ( -3.132 2.157 -0.740) 3.874 14.277 ( 3.132 2.157 -0.740) 3.874 14.594 ( -2.018 -3.602 1.153) 4.287 14.594 ( 2.018 -3.602 1.153) 4.287 14.775 ( -6.841 -7.070 6.622) 11.859 14.775 ( 6.841 -7.070 6.622) 11.859 17.176 ( -1.035 0.124 -1.857) 2.129 17.176 ( 1.035 0.124 -1.857) 2.129 17.260 ( -2.429 -1.347 -0.622) 2.846 17.260 ( 2.429 -1.347 -0.622) 2.846 17.724 ( -5.178 -5.678 -1.510) 7.832 17.724 ( 5.178 -5.678 -1.510) 7.832 17.943 ( -2.908 -4.156 2.533) 5.670 17.943 ( 2.908 -4.156 2.533) 5.670 19.915 ( -4.590 13.497 0.130) 14.257 19.915 ( 4.590 13.497 0.130) 14.257 20.567 ( -4.861 -0.587 0.581) 4.931 20.567 ( 4.861 -0.587 0.581) 4.931 28.871 ( -4.334 0.831 -0.959) 4.516 28.871 ( 4.334 0.831 -0.959) 4.516 29.075 ( -4.321 -1.332 2.311) 5.078 29.075 ( 4.321 -1.332 2.311) 5.078 30.878 ( -21.199 3.948 2.814) 21.746 30.878 ( 21.199 3.948 2.814) 21.746 32.001 ( -11.423 -8.122 -14.591) 20.233 32.001 ( 11.423 -8.122 -14.591) 20.233 32.878 ( -7.003 -0.993 15.670) 17.192 32.878 ( 7.003 -0.993 15.670) 17.192 34.123 ( -11.301 -26.558 7.533) 29.829 34.123 ( 11.301 -26.558 7.533) 29.829 35.497 ( -11.062 21.567 -2.397) 24.356 35.497 ( 11.062 21.567 -2.397) 24.356 35.930 ( -10.124 5.493 -2.579) 11.804 35.930 ( 10.124 5.493 -2.579) 11.804 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.000 32.794 11.490) 34.748 1.914 ( 0.000 37.308 9.123) 38.407 2.658 ( 0.000 42.238 21.139) 47.233 2.892 ( 0.000 7.786 18.734) 20.288 3.414 ( 0.000 4.214 6.309) 7.587 3.507 ( 0.000 -5.116 1.693) 5.389 3.558 ( 0.000 6.108 6.133) 8.656 4.035 ( 0.000 -3.011 -5.441) 6.219 4.264 ( 0.000 -11.346 3.759) 11.952 4.369 ( 0.000 -4.498 6.903) 8.239 4.391 ( 0.000 -0.089 -1.871) 1.873 4.631 ( 0.000 -19.745 4.863) 20.335 4.736 ( 0.000 2.185 5.014) 5.469 4.836 ( 0.000 17.818 2.339) 17.971 5.095 ( 0.000 7.728 0.075) 7.728 5.336 ( 0.000 -4.999 7.547) 9.053 5.893 ( 0.000 5.397 -9.054) 10.541 6.103 ( 0.000 6.900 -12.005) 13.846 6.113 ( 0.000 5.835 -0.417) 5.850 6.389 ( 0.000 -13.692 5.499) 14.755 6.515 ( 0.000 -6.629 -4.781) 8.173 6.719 ( 0.000 -7.467 -2.851) 7.993 6.903 ( 0.000 -6.073 0.224) 6.078 7.030 ( 0.000 -1.543 -1.913) 2.458 7.051 ( 0.000 -10.359 10.997) 15.107 7.145 ( 0.000 -2.790 -7.811) 8.294 7.388 ( 0.000 -7.896 -7.394) 10.818 8.107 ( 0.000 -21.961 -4.883) 22.497 8.829 ( 0.000 17.425 0.688) 17.438 9.467 ( 0.000 6.687 -2.459) 7.125 9.693 ( 0.000 7.182 7.683) 10.517 10.402 ( 0.000 -5.482 0.367) 5.494 11.741 ( 0.000 2.190 -11.243) 11.454 12.013 ( 0.000 4.399 0.865) 4.483 12.048 ( 0.000 -4.618 -10.330) 11.315 12.295 ( 0.000 -6.535 -11.513) 13.238 13.507 ( 0.000 4.476 -2.254) 5.011 13.524 ( 0.000 14.813 -6.408) 16.140 14.252 ( 0.000 -6.934 0.513) 6.953 14.266 ( 0.000 -16.371 3.566) 16.755 14.366 ( 0.000 0.642 -3.259) 3.321 14.373 ( 0.000 0.125 0.966) 0.974 14.581 ( 0.000 1.681 5.021) 5.295 14.720 ( 0.000 -2.634 7.103) 7.576 17.142 ( 0.000 1.310 0.037) 1.310 17.150 ( 0.000 0.304 -3.071) 3.086 17.306 ( 0.000 -1.309 -1.062) 1.685 17.332 ( 0.000 -2.301 2.492) 3.392 17.610 ( 0.000 0.876 3.072) 3.194 17.760 ( 0.000 -2.835 1.290) 3.115 17.868 ( 0.000 -0.457 -1.250) 1.331 17.939 ( 0.000 -5.434 -1.584) 5.660 20.086 ( 0.000 9.366 6.394) 11.340 20.248 ( 0.000 4.749 -5.449) 7.228 20.651 ( 0.000 -2.640 4.938) 5.599 20.691 ( 0.000 0.438 -9.593) 9.603 28.815 ( 0.000 -0.711 -2.381) 2.485 28.830 ( 0.000 -0.199 1.378) 1.392 29.100 ( 0.000 0.235 0.880) 0.911 29.139 ( 0.000 -0.656 6.587) 6.620 30.023 ( 0.000 4.088 4.109) 5.796 30.366 ( 0.000 -4.865 2.391) 5.421 31.813 ( 0.000 5.077 2.160) 5.518 32.166 ( 0.000 -2.545 1.949) 3.205 32.732 ( 0.000 3.613 10.175) 10.798 33.096 ( 0.000 0.597 19.456) 19.465 33.240 ( 0.000 -11.334 -5.823) 12.742 34.036 ( 0.000 -23.450 12.850) 26.740 35.446 ( 0.000 7.978 -1.148) 8.060 35.613 ( 0.000 6.157 -4.676) 7.731 36.428 ( 0.000 8.005 -4.438) 9.153 36.818 ( 0.000 0.054 -15.136) 15.136 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.17 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.464 29.485 9.721) 31.050 1.931 ( 9.776 31.843 17.065) 37.427 2.822 ( -3.422 9.937 15.842) 19.011 3.098 ( 28.632 30.416 12.396) 43.573 3.293 ( -9.371 5.361 7.714) 13.268 3.464 ( -2.481 -4.402 1.636) 5.312 3.588 ( 1.361 6.404 5.767) 8.725 3.993 ( -3.853 -10.174 -6.120) 12.482 4.183 ( -6.998 -13.011 4.168) 15.350 4.338 ( -0.065 -7.391 9.280) 11.864 4.529 ( 9.393 3.287 0.169) 9.953 4.567 ( -3.385 1.857 4.309) 5.785 4.773 ( 5.531 -5.468 0.011) 7.778 4.910 ( 6.868 13.312 4.458) 15.628 5.176 ( 6.045 1.568 3.643) 7.230 5.540 ( 14.542 -9.690 -0.676) 17.488 5.872 ( -16.250 0.196 -2.544) 16.449 5.982 ( 2.026 2.210 -8.076) 8.614 6.060 ( -1.674 9.218 -7.166) 11.795 6.399 ( -2.442 -3.319 -0.558) 4.158 6.586 ( 3.001 -4.479 -1.739) 5.665 6.628 ( 0.734 -0.510 0.069) 0.896 6.745 ( -14.519 -3.950 4.502) 15.706 6.777 ( -8.436 -5.836 1.955) 10.442 7.163 ( 0.859 -5.148 2.803) 5.925 7.317 ( 6.121 -1.474 -7.791) 10.017 7.527 ( 9.037 -4.473 -5.655) 11.561 8.042 ( -5.731 -17.107 -4.587) 18.615 8.801 ( 2.152 12.884 0.369) 13.068 9.486 ( 0.165 13.904 1.628) 13.999 9.689 ( 2.795 -4.956 2.516) 6.222 10.566 ( 10.548 -13.769 -4.494) 17.918 11.737 ( 0.202 1.370 -9.969) 10.064 11.986 ( -2.411 3.423 0.079) 4.187 12.032 ( -1.990 -5.077 -10.749) 12.053 12.218 ( -7.429 -5.230 -9.994) 13.506 13.455 ( -4.089 13.009 -3.191) 14.005 13.504 ( -1.751 8.134 -1.533) 8.461 14.239 ( 0.561 -9.146 0.479) 9.176 14.309 ( 1.303 -10.871 -1.124) 11.006 14.338 ( 1.048 -1.099 2.788) 3.175 14.460 ( 5.166 -1.848 -0.607) 5.520 14.545 ( -2.399 2.074 4.905) 5.841 14.739 ( 0.787 -3.939 7.534) 8.538 17.149 ( 0.572 1.051 -0.945) 1.525 17.153 ( 0.423 0.019 -1.155) 1.230 17.265 ( -3.276 -0.287 -0.094) 3.290 17.316 ( -1.760 -2.291 0.437) 2.921 17.587 ( -1.046 0.987 2.635) 3.002 17.787 ( 1.536 -3.335 0.980) 3.800 17.839 ( -2.817 -1.532 -1.067) 3.380 17.922 ( -1.432 -4.732 -1.080) 5.060 20.085 ( 0.362 10.183 4.247) 11.040 20.286 ( 2.892 4.289 -4.069) 6.582 20.591 ( -7.296 2.765 -6.256) 10.001 20.646 ( -1.638 -2.221 3.610) 4.545 28.807 ( 0.239 0.605 -1.377) 1.523 28.875 ( 3.579 -0.904 0.452) 3.719 29.083 ( -4.112 -0.146 2.577) 4.855 29.117 ( -0.141 -1.323 2.834) 3.131 30.184 ( 15.519 4.749 3.667) 16.638 30.678 ( 28.118 -10.968 -2.718) 30.303 31.706 ( -10.376 5.370 2.350) 11.917 32.144 ( -2.985 -4.155 0.024) 5.116 32.747 ( 1.821 3.846 9.589) 10.490 33.064 ( -2.865 1.459 16.771) 17.076 33.298 ( 5.481 -13.100 -0.719) 14.218 33.977 ( -5.889 -22.951 12.431) 26.757 35.491 ( 4.573 8.845 -1.429) 10.059 35.670 ( 5.686 5.558 -4.606) 9.189 36.367 ( -6.298 7.458 -3.934) 10.524 36.638 ( -16.429 4.993 -11.960) 20.926 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.33 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 21.501 14.584 9.479) 27.656 2.204 ( 15.717 22.637 17.440) 32.613 2.692 ( -9.266 11.462 16.861) 22.395 2.938 ( -21.718 3.010 5.660) 22.644 3.435 ( -0.370 -6.616 1.470) 6.787 3.534 ( -1.796 5.771 1.983) 6.361 3.744 ( 18.568 5.178 5.740) 20.113 3.971 ( 1.947 -13.993 -2.164) 14.293 4.041 ( 0.272 -11.011 1.549) 11.123 4.371 ( 2.123 -2.456 7.766) 8.417 4.495 ( -0.793 5.559 3.660) 6.702 4.784 ( 12.499 5.998 2.397) 14.070 4.902 ( 5.845 -2.523 -4.094) 7.569 5.070 ( -4.886 -1.576 2.266) 5.612 5.173 ( 2.560 2.943 1.589) 4.212 5.617 ( 2.273 -1.132 -3.662) 4.456 5.711 ( -0.996 2.573 -2.468) 3.702 6.077 ( 12.080 10.385 0.482) 15.937 6.100 ( -1.482 1.111 1.245) 2.232 6.262 ( -14.400 7.972 6.794) 17.806 6.377 ( -19.943 1.535 0.623) 20.012 6.565 ( 10.829 -7.596 -6.348) 14.672 6.722 ( -4.682 1.337 -1.960) 5.249 6.807 ( 7.134 -12.027 1.207) 14.036 7.112 ( -4.400 -1.748 1.087) 4.858 7.383 ( -8.691 6.264 -6.075) 12.316 7.537 ( 5.560 9.119 -1.331) 10.763 7.921 ( -7.379 -3.479 -2.720) 8.600 9.035 ( 18.606 2.725 -4.862) 19.422 9.448 ( -3.872 8.516 1.471) 9.470 9.843 ( 13.408 -18.422 -1.272) 22.820 10.591 ( -10.581 -20.529 -8.850) 24.733 11.786 ( 5.319 -0.901 -7.230) 9.021 11.935 ( -2.548 1.461 -1.969) 3.537 11.965 ( -4.196 -5.488 -11.308) 13.251 12.068 ( -6.792 -2.180 -6.272) 9.498 13.402 ( -0.863 13.777 0.002) 13.804 13.461 ( -2.504 8.888 0.120) 9.234 14.259 ( 0.908 -7.438 -1.546) 7.652 14.294 ( -1.199 -6.341 -3.154) 7.183 14.412 ( 4.456 -5.396 4.554) 8.350 14.499 ( -0.773 0.380 3.613) 3.714 14.569 ( 4.519 -2.490 3.331) 6.141 14.725 ( -2.299 -4.648 7.456) 9.082 17.157 ( 0.547 0.026 -0.928) 1.078 17.174 ( 1.409 -0.355 1.065) 1.801 17.213 ( -1.694 -0.042 -1.815) 2.483 17.272 ( -2.541 -2.170 -0.166) 3.345 17.591 ( 1.460 0.396 1.015) 1.822 17.743 ( -5.194 -1.863 -1.578) 5.739 17.828 ( 1.321 -3.840 1.255) 4.250 17.891 ( -1.740 -4.174 0.126) 4.524 20.114 ( 2.749 11.138 1.360) 11.552 20.294 ( -3.676 8.300 -3.260) 9.645 20.496 ( -0.159 1.196 -2.379) 2.667 20.605 ( -2.660 -2.488 2.855) 4.628 28.833 ( 2.420 1.514 -1.270) 3.124 28.953 ( 3.943 -1.445 0.834) 4.282 28.989 ( -4.575 0.830 1.291) 4.825 29.096 ( -2.183 -2.288 1.933) 3.706 30.565 ( 22.366 6.386 2.784) 23.425 31.230 ( 18.997 -8.380 -7.950) 22.234 31.464 ( -7.894 -0.867 1.126) 8.021 32.027 ( -9.531 -8.060 -4.750) 13.356 32.806 ( 4.161 3.900 10.214) 11.698 32.993 ( -4.437 2.621 14.436) 15.328 33.438 ( 8.718 -16.539 5.473) 19.481 33.823 ( -9.556 -21.740 11.368) 26.328 35.625 ( 9.417 10.703 -2.230) 14.430 35.819 ( 9.071 5.191 -5.119) 11.637 36.180 ( -13.366 8.293 -2.426) 15.916 36.300 ( -15.451 8.356 -7.100) 18.946 ======================= Grid point 66 (28/96) ======================= q-point: (-0.50 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -20.962 7.318 10.473) 24.549 2.373 ( 20.962 7.318 10.473) 24.549 2.527 ( -11.519 13.423 14.060) 22.595 2.527 ( 11.519 13.423 14.060) 22.595 3.461 ( -3.215 -3.741 1.131) 5.061 3.461 ( 3.215 -3.741 1.131) 5.061 3.886 ( -4.250 -18.656 2.437) 19.289 3.886 ( 4.250 -18.656 2.437) 19.289 4.329 ( -9.191 0.613 1.475) 9.329 4.329 ( 9.191 0.613 1.475) 9.329 4.657 ( -20.554 5.395 -1.078) 21.278 4.657 ( 20.554 5.395 -1.078) 21.278 4.947 ( -3.349 2.766 -1.302) 4.535 4.947 ( 3.349 2.766 -1.302) 4.535 5.475 ( -16.811 1.984 2.574) 17.122 5.475 ( 16.811 1.984 2.574) 17.122 5.924 ( -20.226 1.069 1.989) 20.352 5.924 ( 20.226 1.069 1.989) 20.352 6.071 ( -1.176 6.593 3.437) 7.528 6.071 ( 1.176 6.593 3.437) 7.528 6.475 ( -18.787 8.577 -0.386) 20.656 6.475 ( 18.787 8.577 -0.386) 20.656 6.797 ( -9.308 -12.013 -2.759) 15.445 6.797 ( 9.308 -12.013 -2.759) 15.445 7.143 ( -9.583 6.528 -0.295) 11.598 7.143 ( 9.583 6.528 -0.295) 11.598 7.743 ( -11.013 7.661 -3.558) 13.879 7.743 ( 11.013 7.661 -3.558) 13.879 9.326 ( -9.773 1.188 -2.953) 10.279 9.326 ( 9.773 1.188 -2.953) 10.279 10.218 ( -23.499 -22.088 -5.707) 32.752 10.218 ( 23.499 -22.088 -5.707) 32.752 11.891 ( -2.878 -1.521 -5.401) 6.306 11.891 ( 2.878 -1.521 -5.401) 6.306 11.950 ( -4.632 -2.614 -7.385) 9.101 11.950 ( 4.632 -2.614 -7.385) 9.101 13.416 ( -1.890 11.449 0.773) 11.630 13.416 ( 1.890 11.449 0.773) 11.630 14.274 ( -0.873 -6.396 -2.792) 7.033 14.274 ( 0.873 -6.396 -2.792) 7.033 14.477 ( -2.021 -2.950 4.228) 5.537 14.477 ( 2.021 -2.950 4.228) 5.537 14.657 ( -4.376 -3.600 5.779) 8.094 14.657 ( 4.376 -3.600 5.779) 8.094 17.174 ( -1.093 -0.240 -0.186) 1.134 17.174 ( 1.093 -0.240 -0.186) 1.134 17.224 ( -2.277 -1.670 -0.674) 2.903 17.224 ( 2.277 -1.670 -0.674) 2.903 17.646 ( -4.238 -0.719 -0.805) 4.373 17.646 ( 4.238 -0.719 -0.805) 4.373 17.857 ( -1.700 -4.074 0.957) 4.518 17.857 ( 1.700 -4.074 0.957) 4.518 20.192 ( -5.224 11.154 -1.217) 12.377 20.192 ( 5.224 11.154 -1.217) 12.377 20.544 ( -3.484 -1.711 0.584) 3.925 20.544 ( 3.484 -1.711 0.584) 3.925 28.897 ( -4.077 1.603 -0.543) 4.415 28.897 ( 4.077 1.603 -0.543) 4.415 29.037 ( -3.795 -2.137 1.702) 4.676 29.037 ( 3.795 -2.137 1.702) 4.676 31.003 ( -21.851 7.720 1.845) 23.248 31.003 ( 21.851 7.720 1.845) 23.248 31.761 ( -18.190 -13.372 -8.696) 24.193 31.761 ( 18.190 -13.372 -8.696) 24.193 32.899 ( -5.084 3.414 12.262) 13.706 32.899 ( 5.084 3.414 12.262) 13.706 33.626 ( -10.363 -19.700 9.404) 24.164 33.626 ( 10.363 -19.700 9.404) 24.164 35.848 ( -12.264 11.763 -4.492) 17.577 35.848 ( 12.264 11.763 -4.492) 17.577 36.061 ( -9.314 5.318 -3.009) 11.140 36.061 ( 9.314 5.318 -3.009) 11.140 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 31.292 3.170) 31.452 2.637 ( 0.000 23.629 1.164) 23.658 3.076 ( 0.000 1.538 6.125) 6.315 3.235 ( 0.000 -12.736 12.379) 17.761 3.302 ( 0.000 -5.347 17.248) 18.057 3.401 ( 0.000 22.010 4.384) 22.442 3.648 ( 0.000 5.835 9.953) 11.538 3.857 ( 0.000 -15.973 1.865) 16.081 3.910 ( 0.000 -18.547 8.518) 20.409 4.113 ( 0.000 -12.743 8.579) 15.362 4.450 ( 0.000 11.703 5.759) 13.043 4.557 ( 0.000 0.953 2.533) 2.706 4.912 ( 0.000 9.177 3.881) 9.964 5.067 ( 0.000 -2.212 -0.515) 2.271 5.325 ( 0.000 12.953 3.940) 13.539 5.532 ( 0.000 29.823 0.137) 29.824 5.781 ( 0.000 -22.412 -0.508) 22.417 6.156 ( 0.000 0.805 -2.594) 2.716 6.194 ( 0.000 -5.412 -3.784) 6.604 6.200 ( 0.000 2.074 -2.882) 3.551 6.229 ( 0.000 -20.262 -2.398) 20.403 6.341 ( 0.000 -9.116 -3.795) 9.875 6.929 ( 0.000 3.102 -5.019) 5.900 6.985 ( 0.000 -2.358 -4.615) 5.182 7.131 ( 0.000 7.819 -3.182) 8.442 7.139 ( 0.000 1.536 -8.112) 8.256 7.293 ( 0.000 2.401 -2.343) 3.355 7.622 ( 0.000 -21.767 -0.430) 21.772 9.180 ( 0.000 14.575 0.007) 14.575 9.426 ( 0.000 -7.839 -1.304) 7.946 9.962 ( 0.000 14.229 5.898) 15.403 10.232 ( 0.000 -10.488 2.739) 10.840 11.816 ( 0.000 4.671 -13.644) 14.422 11.932 ( 0.000 -5.875 -13.332) 14.569 12.097 ( 0.000 3.559 -0.749) 3.637 12.178 ( 0.000 -4.364 -4.717) 6.426 13.651 ( 0.000 9.011 -2.131) 9.260 13.785 ( 0.000 6.564 -5.956) 8.863 13.960 ( 0.000 -8.476 3.009) 8.995 14.074 ( 0.000 -9.352 -0.306) 9.357 14.378 ( 0.000 0.291 -1.550) 1.577 14.379 ( 0.000 0.185 -0.005) 0.185 14.621 ( 0.000 2.039 6.359) 6.678 14.669 ( 0.000 -2.372 6.983) 7.375 17.166 ( 0.000 0.704 -3.125) 3.203 17.166 ( 0.000 0.710 -1.147) 1.349 17.283 ( 0.000 -0.576 -0.460) 0.737 17.292 ( 0.000 -1.347 1.322) 1.887 17.642 ( 0.000 2.104 1.976) 2.887 17.697 ( 0.000 -2.911 1.493) 3.271 17.858 ( 0.000 -0.270 -1.546) 1.569 17.867 ( 0.000 -1.495 -1.673) 2.244 20.259 ( 0.000 6.271 0.105) 6.272 20.323 ( 0.000 0.923 -6.446) 6.511 20.608 ( 0.000 -0.397 6.044) 6.057 20.648 ( 0.000 -3.170 -0.615) 3.229 28.813 ( 0.000 0.318 -2.032) 2.056 28.823 ( 0.000 -0.475 -0.484) 0.678 29.109 ( 0.000 0.604 2.961) 3.022 29.124 ( 0.000 -0.740 5.057) 5.111 30.127 ( 0.000 5.470 3.315) 6.396 30.250 ( 0.000 -5.806 2.742) 6.421 31.950 ( 0.000 7.052 0.867) 7.105 32.086 ( 0.000 -5.152 1.065) 5.260 32.830 ( 0.000 6.017 3.494) 6.958 33.003 ( 0.000 -10.086 -2.970) 10.514 33.241 ( 0.000 11.889 15.986) 19.923 33.576 ( 0.000 -19.007 15.664) 24.630 35.600 ( 0.000 5.732 -2.557) 6.276 35.671 ( 0.000 -0.586 -3.977) 4.020 36.602 ( 0.000 7.856 -6.036) 9.907 36.750 ( 0.000 -5.577 -9.021) 10.606 ======================= Grid point 71 (30/96) ======================= q-point: ( 0.17 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -4.804 30.931 0.924) 31.315 2.623 ( 2.487 27.890 9.885) 29.695 2.973 ( -5.575 -8.156 5.661) 11.386 3.156 ( -6.634 1.101 8.320) 10.698 3.303 ( -1.134 -18.434 15.443) 24.075 3.487 ( -4.220 -2.642 4.184) 6.504 3.544 ( -7.924 -4.039 8.350) 12.199 3.807 ( 0.105 -2.521 5.201) 5.781 3.955 ( 5.683 4.384 8.608) 11.208 4.312 ( 13.340 -15.353 2.645) 20.510 4.493 ( 4.922 14.291 6.435) 16.428 4.640 ( 8.182 0.480 2.515) 8.573 4.962 ( 5.239 13.914 1.883) 14.987 5.191 ( 6.151 3.905 -3.777) 8.206 5.282 ( -8.645 7.346 1.589) 11.455 5.323 ( -1.297 -3.619 1.262) 4.046 5.772 ( -12.796 -4.899 0.345) 13.706 5.938 ( 3.853 -16.932 1.479) 17.427 6.180 ( 1.949 6.455 -2.625) 7.236 6.342 ( 9.645 2.946 -4.638) 11.100 6.399 ( 6.579 -3.295 -1.840) 7.584 6.564 ( 12.263 -7.290 -2.873) 14.552 6.772 ( -17.522 3.039 0.987) 17.811 6.780 ( -15.541 1.337 -0.366) 15.603 7.202 ( 5.684 7.159 -6.127) 11.004 7.340 ( 12.981 3.199 -5.224) 14.354 7.390 ( 13.596 -5.068 -9.246) 17.205 7.638 ( 1.612 -18.477 -1.065) 18.578 9.115 ( -4.345 15.453 0.934) 16.080 9.422 ( -0.663 -12.410 -0.050) 12.428 9.909 ( -5.380 17.320 2.925) 18.371 10.262 ( 0.764 -15.233 -0.634) 15.265 11.795 ( -1.529 4.078 -12.317) 13.065 11.905 ( -2.612 -5.953 -13.049) 14.578 12.056 ( -3.769 2.991 -0.794) 4.877 12.124 ( -4.930 -3.588 -3.723) 7.144 13.654 ( 0.375 10.026 -1.675) 10.172 13.766 ( -1.710 9.711 -3.959) 10.626 13.965 ( 0.529 -10.620 2.619) 10.951 14.073 ( -0.392 -10.962 -0.135) 10.970 14.383 ( 1.767 2.511 0.134) 3.073 14.428 ( 3.681 -1.700 -0.395) 4.074 14.599 ( -1.749 2.848 5.673) 6.584 14.665 ( -0.592 -3.243 6.654) 7.426 17.165 ( -0.014 0.725 -2.197) 2.313 17.169 ( 0.204 0.525 -1.189) 1.316 17.256 ( -2.425 -0.205 0.467) 2.478 17.271 ( -1.993 -1.645 0.422) 2.618 17.633 ( -0.377 3.068 1.508) 3.439 17.709 ( 0.950 -3.812 1.255) 4.124 17.824 ( -3.053 0.415 -1.550) 3.449 17.853 ( -1.587 -2.155 -1.395) 3.018 20.272 ( 1.374 6.749 -0.400) 6.899 20.345 ( 2.122 0.312 -5.158) 5.586 20.588 ( -2.159 -0.816 4.010) 4.627 20.605 ( -3.863 -1.790 0.462) 4.283 28.827 ( 1.549 1.125 -1.386) 2.364 28.852 ( 2.659 -1.179 -0.575) 2.965 29.084 ( -2.944 0.301 2.731) 4.027 29.096 ( -1.969 -0.747 3.406) 4.004 30.308 ( 17.471 6.764 2.735) 18.934 30.472 ( 21.148 -8.532 1.253) 22.838 31.858 ( -9.252 8.114 0.451) 12.315 32.025 ( -6.518 -6.944 -0.287) 9.528 32.856 ( 2.660 6.624 4.209) 8.287 33.040 ( 3.617 -10.424 -0.598) 11.050 33.212 ( -2.908 11.221 15.281) 19.180 33.531 ( -4.463 -18.227 14.953) 23.995 35.652 ( 5.357 5.830 -2.571) 8.324 35.724 ( 5.385 -0.597 -3.931) 6.694 36.524 ( -7.806 6.814 -5.505) 11.733 36.640 ( -10.652 -3.501 -8.043) 13.799 ======================= Grid point 72 (31/96) ======================= q-point: ( 0.33 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 7.189 25.406 3.518) 26.637 2.732 ( 7.003 22.285 13.022) 26.743 2.882 ( -3.178 -13.012 5.181) 14.362 2.985 ( -14.211 11.264 7.313) 19.553 3.195 ( -7.012 -2.450 11.868) 14.000 3.356 ( -8.170 -14.176 2.984) 16.632 3.440 ( -1.463 -18.415 9.504) 20.775 3.601 ( -12.472 -17.347 9.402) 23.342 4.256 ( 16.870 15.369 -0.644) 22.830 4.506 ( 7.991 -6.614 -0.109) 10.374 4.574 ( 0.831 14.628 3.300) 15.019 4.807 ( 3.034 -5.584 0.791) 6.404 5.078 ( 4.548 14.004 -0.506) 14.733 5.135 ( -0.927 9.759 -0.503) 9.816 5.226 ( 5.452 0.146 0.524) 5.479 5.474 ( 7.636 -14.115 -2.099) 16.185 5.722 ( 5.164 5.287 3.514) 8.183 5.987 ( 1.388 -15.305 2.310) 15.540 6.257 ( -1.356 6.234 1.712) 6.606 6.331 ( -16.125 -0.028 1.919) 16.239 6.424 ( -10.003 4.084 -0.426) 10.813 6.540 ( 4.267 6.105 -3.217) 8.114 6.574 ( 5.198 -7.775 -2.386) 9.652 6.691 ( 1.305 -5.103 -3.498) 6.323 7.282 ( 4.328 15.491 -1.766) 16.181 7.565 ( 5.476 8.940 -5.543) 11.859 7.646 ( 8.176 -7.830 -4.769) 12.284 7.686 ( 4.014 -8.873 -1.686) 9.884 9.155 ( 10.725 9.014 -1.755) 14.119 9.439 ( 5.330 -17.033 -0.548) 17.855 9.741 ( -12.234 17.214 -1.957) 21.209 10.151 ( -13.973 -20.298 -5.806) 25.318 11.795 ( 2.397 1.731 -8.100) 8.623 11.858 ( -1.076 -4.090 -9.820) 10.692 11.969 ( -4.860 1.784 -2.130) 5.598 12.015 ( -6.027 -2.457 -3.485) 7.383 13.668 ( 1.081 12.390 -0.400) 12.443 13.730 ( -1.893 13.763 -0.431) 13.900 13.981 ( 1.173 -13.957 1.258) 14.062 14.051 ( -1.847 -13.517 -0.079) 13.643 14.441 ( 3.864 3.487 1.724) 5.483 14.507 ( 4.072 -2.277 1.079) 4.788 14.564 ( -1.812 3.068 4.513) 5.750 14.640 ( -2.005 -3.721 5.377) 6.840 17.166 ( 0.148 0.736 -0.926) 1.192 17.175 ( 0.487 0.020 -0.425) 0.646 17.208 ( -2.139 -0.022 0.344) 2.167 17.227 ( -2.192 -1.747 0.003) 2.803 17.639 ( 1.163 3.696 0.405) 3.895 17.729 ( 0.807 -3.568 0.389) 3.678 17.754 ( -3.501 0.931 -0.991) 3.756 17.812 ( -2.490 -3.383 -0.823) 4.281 20.314 ( 2.942 7.220 -0.840) 7.842 20.393 ( 2.292 0.707 -2.529) 3.485 20.509 ( -4.454 0.466 -1.247) 4.649 20.544 ( -2.934 -2.771 3.133) 5.109 28.872 ( 3.010 2.009 -0.749) 3.696 28.915 ( 3.671 -1.991 0.049) 4.176 29.014 ( -3.915 1.431 1.477) 4.422 29.050 ( -2.820 -1.955 1.743) 3.849 30.733 ( 24.685 9.401 1.286) 26.446 30.967 ( 27.444 -12.410 -1.923) 30.181 31.603 ( -16.964 9.718 -0.075) 19.551 31.825 ( -14.356 -10.435 -2.718) 17.955 32.929 ( 4.679 7.651 6.625) 11.150 33.122 ( -0.169 1.452 7.896) 8.030 33.147 ( 1.324 -3.206 9.552) 10.162 33.415 ( -7.169 -16.223 12.831) 21.891 35.805 ( 10.338 6.017 -2.789) 12.282 35.875 ( 10.015 -0.336 -4.061) 10.812 36.318 ( -12.960 5.008 -4.202) 14.515 36.381 ( -14.759 -0.320 -6.117) 15.979 ======================= Grid point 73 (32/96) ======================= q-point: (-0.50 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -19.792 15.240 5.283) 25.532 2.610 ( 19.792 15.240 5.283) 25.532 2.844 ( -3.175 7.786 11.338) 14.116 2.844 ( 3.175 7.786 11.338) 14.116 3.178 ( -6.166 -8.510 4.547) 11.451 3.178 ( 6.166 -8.510 4.547) 11.451 3.462 ( -3.230 -21.185 10.685) 23.946 3.462 ( 3.230 -21.185 10.685) 23.946 4.509 ( -7.944 10.889 -1.545) 13.567 4.509 ( 7.944 10.889 -1.545) 13.567 4.675 ( -10.413 -4.023 -1.905) 11.325 4.675 ( 10.413 -4.023 -1.905) 11.325 5.156 ( -2.304 15.125 0.042) 15.300 5.156 ( 2.304 15.125 0.042) 15.300 5.438 ( -10.980 -7.697 1.579) 13.502 5.438 ( 10.980 -7.697 1.579) 13.502 5.950 ( -17.980 2.124 2.628) 18.295 5.950 ( 17.980 2.124 2.628) 18.295 6.048 ( -7.049 -6.713 2.842) 10.141 6.048 ( 7.049 -6.713 2.842) 10.141 6.546 ( -6.533 4.216 -2.488) 8.163 6.546 ( 6.533 4.216 -2.488) 8.163 6.663 ( -2.668 -4.964 -4.091) 6.964 6.663 ( 2.668 -4.964 -4.091) 6.964 7.436 ( -11.327 18.046 -0.122) 21.307 7.436 ( 11.327 18.046 -0.122) 21.307 7.748 ( -1.537 -8.218 -2.141) 8.630 7.748 ( 1.537 -8.218 -2.141) 8.630 9.434 ( -15.359 10.063 -4.235) 18.844 9.434 ( 15.359 10.063 -4.235) 18.844 9.759 ( -22.593 -19.473 -5.263) 30.288 9.759 ( 22.593 -19.473 -5.263) 30.288 11.875 ( -3.248 0.200 -5.007) 5.971 11.875 ( 3.248 0.200 -5.007) 5.971 11.899 ( -4.144 -1.927 -5.152) 6.887 11.899 ( 4.144 -1.927 -5.152) 6.887 13.695 ( -1.644 14.284 0.681) 14.394 13.695 ( 1.644 14.284 0.681) 14.394 14.011 ( -1.948 -14.818 0.185) 14.946 14.011 ( 1.948 -14.818 0.185) 14.946 14.512 ( -3.062 3.522 3.000) 5.548 14.512 ( 3.062 3.522 3.000) 5.548 14.587 ( -3.380 -3.321 3.491) 5.886 14.587 ( 3.380 -3.321 3.491) 5.886 17.175 ( -0.862 0.483 0.224) 1.013 17.175 ( 0.862 0.483 0.224) 1.013 17.194 ( -1.148 -1.164 -0.419) 1.688 17.194 ( 1.148 -1.164 -0.419) 1.688 17.680 ( -2.991 3.275 -0.667) 4.485 17.680 ( 2.991 3.275 -0.667) 4.485 17.766 ( -2.108 -4.374 -0.045) 4.856 17.766 ( 2.108 -4.374 -0.045) 4.856 20.380 ( -3.526 6.666 -0.881) 7.592 20.380 ( 3.526 6.666 -0.881) 7.592 20.488 ( -2.369 -3.655 0.035) 4.356 20.488 ( 2.369 -3.655 0.035) 4.356 28.938 ( -3.726 2.174 0.093) 4.315 28.938 ( 3.726 2.174 0.093) 4.315 28.988 ( -3.546 -2.385 0.888) 4.365 28.988 ( 3.546 -2.385 0.888) 4.365 31.205 ( -22.574 11.018 -0.089) 25.120 31.205 ( 22.574 11.018 -0.089) 25.120 31.468 ( -22.059 -13.406 -3.425) 26.040 31.468 ( 22.059 -13.406 -3.425) 26.040 33.029 ( -5.470 8.729 9.857) 14.258 33.029 ( 5.470 8.729 9.857) 14.258 33.270 ( -7.438 -13.813 9.300) 18.237 33.270 ( 7.438 -13.813 9.300) 18.237 36.037 ( -10.850 6.254 -4.169) 13.199 36.037 ( 10.850 6.254 -4.169) 13.199 36.114 ( -10.141 -0.704 -3.741) 10.832 36.114 ( 10.141 -0.704 -3.741) 10.832 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 0.000 33.860) 33.860 1.440 ( 0.000 0.000 38.576) 38.576 2.267 ( 0.000 0.000 58.328) 58.328 2.965 ( 0.000 0.000 2.494) 2.494 3.105 ( 0.000 0.000 4.158) 4.158 3.424 ( 0.000 0.000 38.873) 38.873 3.502 ( 0.000 0.000 7.495) 7.495 3.779 ( 0.000 0.000 -7.364) 7.364 4.185 ( 0.000 0.000 3.043) 3.043 4.495 ( 0.000 0.000 -4.150) 4.150 4.624 ( 0.000 0.000 3.499) 3.499 4.936 ( 0.000 0.000 15.487) 15.487 4.973 ( 0.000 0.000 8.338) 8.338 5.031 ( 0.000 0.000 3.898) 3.898 5.084 ( 0.000 0.000 -3.125) 3.125 5.519 ( 0.000 0.000 -10.604) 10.604 5.634 ( 0.000 0.000 10.890) 10.890 5.796 ( 0.000 0.000 -7.663) 7.663 5.978 ( 0.000 0.000 6.135) 6.135 6.491 ( 0.000 0.000 -10.458) 10.458 6.644 ( 0.000 0.000 -10.146) 10.146 6.840 ( 0.000 0.000 19.055) 19.055 7.019 ( 0.000 0.000 -3.993) 3.993 7.048 ( 0.000 0.000 -20.691) 20.691 7.159 ( 0.000 0.000 -4.286) 4.286 7.213 ( 0.000 0.000 -7.719) 7.719 8.057 ( 0.000 0.000 -15.933) 15.933 8.625 ( 0.000 0.000 -0.538) 0.538 8.671 ( 0.000 0.000 -27.547) 27.547 8.766 ( 0.000 0.000 12.534) 12.534 9.617 ( 0.000 0.000 0.098) 0.098 10.445 ( 0.000 0.000 -3.915) 3.915 11.647 ( 0.000 0.000 -5.763) 5.763 11.807 ( 0.000 0.000 -2.574) 2.574 11.971 ( 0.000 0.000 -17.999) 17.999 12.022 ( 0.000 0.000 -9.123) 9.123 13.057 ( 0.000 0.000 6.963) 6.963 13.370 ( 0.000 0.000 -3.913) 3.913 14.325 ( 0.000 0.000 0.506) 0.506 14.427 ( 0.000 0.000 5.285) 5.285 14.486 ( 0.000 0.000 -1.183) 1.183 14.573 ( 0.000 0.000 6.173) 6.173 14.656 ( 0.000 0.000 1.279) 1.279 15.154 ( 0.000 0.000 -2.210) 2.210 17.124 ( 0.000 0.000 1.429) 1.429 17.195 ( 0.000 0.000 -0.039) 0.039 17.322 ( 0.000 0.000 -0.976) 0.976 17.624 ( 0.000 0.000 3.262) 3.262 17.777 ( 0.000 0.000 -3.157) 3.157 17.852 ( 0.000 0.000 0.795) 0.795 17.860 ( 0.000 0.000 -0.667) 0.667 18.108 ( 0.000 0.000 -4.126) 4.126 19.677 ( 0.000 0.000 1.845) 1.845 20.053 ( 0.000 0.000 -3.609) 3.609 20.228 ( 0.000 0.000 6.551) 6.551 20.769 ( 0.000 0.000 2.557) 2.557 28.827 ( 0.000 0.000 -4.579) 4.579 28.891 ( 0.000 0.000 2.244) 2.244 29.093 ( 0.000 0.000 1.048) 1.048 29.271 ( 0.000 0.000 4.696) 4.696 30.069 ( 0.000 0.000 8.152) 8.152 30.534 ( 0.000 0.000 3.334) 3.334 31.689 ( 0.000 0.000 -5.542) 5.542 32.238 ( 0.000 0.000 -1.529) 1.529 32.949 ( 0.000 0.000 18.127) 18.127 33.458 ( 0.000 0.000 -1.778) 1.778 34.438 ( 0.000 0.000 4.914) 4.914 35.045 ( 0.000 0.000 5.759) 5.759 35.096 ( 0.000 0.000 -1.460) 1.460 35.237 ( 0.000 0.000 1.081) 1.081 35.826 ( 0.000 0.000 -2.805) 2.805 36.099 ( 0.000 0.000 -7.739) 7.739 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 16.238 0.000 28.583) 32.873 1.606 ( 18.828 0.000 27.692) 33.486 2.714 ( 34.970 0.000 48.038) 59.418 2.938 ( -3.188 0.000 2.669) 4.157 3.119 ( 1.309 0.000 4.265) 4.461 3.353 ( -6.956 0.000 38.028) 38.659 3.436 ( -5.603 0.000 6.280) 8.416 3.939 ( 13.974 0.000 -6.794) 15.538 4.268 ( 8.912 0.000 2.659) 9.300 4.529 ( 3.366 0.000 -4.551) 5.661 4.604 ( -1.974 0.000 2.438) 3.137 4.909 ( 0.514 0.000 11.891) 11.902 5.002 ( 1.636 0.000 5.317) 5.563 5.086 ( 2.037 0.000 0.876) 2.218 5.143 ( 7.714 0.000 2.537) 8.120 5.550 ( -8.032 0.000 1.622) 8.194 5.561 ( 4.839 0.000 -9.749) 10.884 5.870 ( -14.379 0.000 1.102) 14.422 6.024 ( 18.416 0.000 -1.580) 18.484 6.453 ( -5.933 0.000 -9.350) 11.074 6.469 ( -9.550 0.000 -6.758) 11.699 6.775 ( -5.609 0.000 13.973) 15.057 6.828 ( -23.119 0.000 -9.717) 25.078 7.053 ( -0.643 0.000 -16.285) 16.298 7.077 ( 3.264 0.000 1.004) 3.415 7.178 ( -3.915 0.000 -0.469) 3.943 8.080 ( -26.279 0.000 -0.916) 26.295 8.280 ( -30.532 0.000 -12.385) 32.948 8.436 ( 22.136 0.000 -6.022) 22.941 9.136 ( 17.136 0.000 3.080) 17.411 9.787 ( 16.577 0.000 -2.602) 16.780 10.715 ( 17.516 0.000 -18.405) 25.408 11.651 ( 0.306 0.000 -6.076) 6.084 11.808 ( 0.118 0.000 -2.932) 2.934 11.939 ( -3.545 0.000 -17.199) 17.561 11.994 ( -2.729 0.000 -8.333) 8.768 13.065 ( 0.964 0.000 6.206) 6.281 13.341 ( -2.888 0.000 -3.300) 4.385 14.266 ( -3.515 0.000 1.259) 3.733 14.427 ( -4.857 0.000 -0.996) 4.958 14.506 ( 5.491 0.000 4.004) 6.795 14.632 ( 5.692 0.000 5.399) 7.845 14.684 ( 1.892 0.000 1.666) 2.521 15.162 ( -0.105 0.000 -1.352) 1.356 17.122 ( -0.314 0.000 0.830) 0.888 17.190 ( -1.213 0.000 -1.207) 1.711 17.304 ( -1.794 0.000 1.452) 2.308 17.433 ( -11.746 0.000 2.591) 12.028 17.715 ( -2.245 0.000 -0.763) 2.371 17.887 ( 2.251 0.000 0.898) 2.424 17.940 ( 1.358 0.000 -1.803) 2.257 18.102 ( -0.093 0.000 -2.770) 2.772 19.687 ( 1.044 0.000 2.078) 2.325 19.980 ( -5.534 0.000 0.184) 5.537 20.314 ( 6.827 0.000 2.893) 7.415 20.749 ( -2.093 0.000 2.232) 3.060 28.781 ( -2.379 0.000 -1.834) 3.004 28.934 ( 3.985 0.000 1.553) 4.277 29.089 ( -3.513 0.000 -0.998) 3.652 29.239 ( -1.319 0.000 4.799) 4.977 30.198 ( 12.697 0.000 7.195) 14.594 30.825 ( 24.473 0.000 -5.782) 25.146 31.598 ( -8.796 0.000 -5.080) 10.157 32.197 ( -4.793 0.000 -4.280) 6.426 32.972 ( 2.934 0.000 18.381) 18.614 33.440 ( -2.125 0.000 3.120) 3.775 34.461 ( 2.368 0.000 4.751) 5.309 34.955 ( -9.251 0.000 0.816) 9.286 35.051 ( 0.738 0.000 5.304) 5.355 35.390 ( 10.515 0.000 -1.343) 10.601 35.646 ( -15.331 0.000 3.020) 15.625 36.061 ( -3.866 0.000 -7.397) 8.347 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 32.942 0.000 18.115) 37.595 2.051 ( 25.078 0.000 17.520) 30.591 2.814 ( -10.593 0.000 4.413) 11.475 3.034 ( -13.083 0.000 30.660) 33.334 3.154 ( 2.356 0.000 4.590) 5.159 3.314 ( -6.275 0.000 6.014) 8.692 3.506 ( 32.425 0.000 28.249) 43.005 4.215 ( 12.316 0.000 -6.306) 13.836 4.506 ( 10.948 0.000 1.548) 11.057 4.516 ( -4.963 0.000 -1.826) 5.288 4.660 ( 7.919 0.000 -3.212) 8.545 4.948 ( -6.960 0.000 -3.047) 7.598 4.956 ( -5.332 0.000 -2.290) 5.803 5.064 ( -9.708 0.000 -1.534) 9.828 5.274 ( 16.890 0.000 5.929) 17.901 5.445 ( -3.310 0.000 13.528) 13.927 5.647 ( 3.579 0.000 6.412) 7.344 5.729 ( 13.029 0.000 -6.524) 14.571 6.152 ( -23.340 0.000 -7.826) 24.617 6.182 ( -5.658 0.000 1.229) 5.790 6.352 ( -11.020 0.000 12.761) 16.861 6.456 ( -17.119 0.000 -7.067) 18.520 6.766 ( 12.381 0.000 -4.971) 13.342 7.078 ( 3.920 0.000 -13.820) 14.366 7.092 ( -0.575 0.000 3.828) 3.871 7.146 ( 1.198 0.000 3.664) 3.854 7.559 ( -23.365 0.000 0.454) 23.369 7.708 ( -27.219 0.000 -5.204) 27.712 8.912 ( 22.851 0.000 -8.259) 24.298 9.339 ( 3.322 0.000 -1.515) 3.651 10.197 ( 23.953 0.000 -6.337) 24.777 10.880 ( -2.396 0.000 -18.976) 19.127 11.668 ( 1.973 0.000 -9.414) 9.619 11.818 ( 1.145 0.000 -3.723) 3.895 11.840 ( -5.935 0.000 -16.134) 17.191 11.926 ( -3.899 0.000 -6.459) 7.544 13.102 ( 2.937 0.000 3.882) 4.868 13.267 ( -4.566 0.000 -1.576) 4.830 14.224 ( -0.530 0.000 0.705) 0.882 14.327 ( -5.016 0.000 -0.833) 5.084 14.607 ( 4.662 0.000 3.659) 5.926 14.705 ( -0.060 0.000 2.481) 2.482 14.777 ( 8.866 0.000 4.842) 10.102 15.110 ( -5.708 0.000 2.025) 6.057 17.107 ( -0.991 0.000 -1.586) 1.870 17.142 ( -2.094 0.000 -1.828) 2.779 17.278 ( -0.323 0.000 3.594) 3.609 17.314 ( -2.370 0.000 0.032) 2.371 17.698 ( 0.804 0.000 -1.741) 1.918 17.853 ( -5.052 0.000 -1.991) 5.430 17.983 ( 3.600 0.000 0.874) 3.704 18.094 ( -1.275 0.000 -0.251) 1.299 19.720 ( 2.448 0.000 2.602) 3.573 19.873 ( -5.237 0.000 2.387) 5.755 20.454 ( 7.282 0.000 1.009) 7.352 20.688 ( -4.251 0.000 1.472) 4.498 28.774 ( 1.734 0.000 -1.072) 2.038 28.957 ( -5.880 0.000 -1.192) 6.000 29.045 ( 4.447 0.000 2.883) 5.299 29.211 ( -2.428 0.000 2.769) 3.682 30.518 ( 19.280 0.000 5.529) 20.057 31.184 ( -0.633 0.000 -1.021) 1.202 31.477 ( 7.665 0.000 -14.255) 16.185 32.044 ( -10.875 0.000 -9.545) 14.470 33.073 ( 7.169 0.000 18.583) 19.918 33.365 ( -5.741 0.000 11.734) 13.063 34.529 ( 4.621 0.000 4.266) 6.289 34.784 ( -8.306 0.000 2.340) 8.629 35.082 ( 2.731 0.000 4.477) 5.245 35.357 ( -12.788 0.000 5.887) 14.078 35.596 ( 10.578 0.000 -3.284) 11.077 35.953 ( -7.128 0.000 -6.434) 9.602 ======================= Grid point 101 (36/96) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -20.717 0.000 9.539) 22.808 2.508 ( 20.717 0.000 9.539) 22.808 2.640 ( -26.181 0.000 24.196) 35.650 2.640 ( 26.181 0.000 24.196) 35.650 3.214 ( -3.999 0.000 5.249) 6.599 3.214 ( 3.999 0.000 5.249) 6.599 4.183 ( -35.313 0.000 -1.430) 35.342 4.183 ( 35.313 0.000 -1.430) 35.342 4.397 ( -7.261 0.000 -3.684) 8.142 4.397 ( 7.261 0.000 -3.684) 8.142 4.823 ( -8.078 0.000 -3.203) 8.690 4.823 ( 8.078 0.000 -3.203) 8.690 4.942 ( -10.418 0.000 5.726) 11.888 4.942 ( 10.418 0.000 5.726) 11.888 5.626 ( -14.758 0.000 11.664) 18.811 5.626 ( 14.758 0.000 11.664) 18.811 5.683 ( -23.637 0.000 -3.338) 23.872 5.683 ( 23.637 0.000 -3.338) 23.872 6.071 ( -20.983 0.000 -3.121) 21.214 6.071 ( 20.983 0.000 -3.121) 21.214 6.104 ( -7.079 0.000 11.933) 13.875 6.104 ( 7.079 0.000 11.933) 13.875 7.055 ( -7.717 0.000 -3.473) 8.463 7.055 ( 7.717 0.000 -3.473) 8.463 7.224 ( -11.673 0.000 -7.448) 13.847 7.224 ( 11.673 0.000 -7.448) 13.847 7.257 ( -16.326 0.000 -0.445) 16.332 7.257 ( 16.326 0.000 -0.445) 16.332 9.256 ( -11.680 0.000 -5.671) 12.984 9.256 ( 11.680 0.000 -5.671) 12.984 10.642 ( -20.009 0.000 -10.660) 22.671 10.642 ( 20.009 0.000 -10.660) 22.671 11.735 ( -4.702 0.000 -14.543) 15.284 11.735 ( 4.702 0.000 -14.543) 15.284 11.857 ( -2.953 0.000 -4.755) 5.598 11.857 ( 2.953 0.000 -4.755) 5.598 13.176 ( -4.523 0.000 0.965) 4.625 13.176 ( 4.523 0.000 0.965) 4.625 14.248 ( -2.873 0.000 -0.169) 2.878 14.248 ( 2.873 0.000 -0.169) 2.878 14.679 ( -2.597 0.000 3.192) 4.115 14.679 ( 2.597 0.000 3.192) 4.115 14.957 ( -9.284 0.000 4.396) 10.273 14.957 ( 9.284 0.000 4.396) 10.273 17.112 ( -1.297 0.000 -2.936) 3.209 17.112 ( 1.297 0.000 -2.936) 3.209 17.285 ( -0.942 0.000 1.717) 1.958 17.285 ( 0.942 0.000 1.717) 1.958 17.752 ( -4.575 0.000 -2.369) 5.152 17.752 ( 4.575 0.000 -2.369) 5.152 18.050 ( -3.075 0.000 0.931) 3.213 18.050 ( 3.075 0.000 0.931) 3.213 19.783 ( -4.005 0.000 2.929) 4.962 19.783 ( 4.005 0.000 2.929) 4.962 20.586 ( -6.171 0.000 0.827) 6.226 20.586 ( 6.171 0.000 0.827) 6.226 28.842 ( -5.075 0.000 -0.827) 5.142 28.842 ( 5.075 0.000 -0.827) 5.142 29.141 ( -4.617 0.000 2.463) 5.233 29.141 ( 4.617 0.000 2.463) 5.233 30.905 ( -19.625 0.000 3.756) 19.982 30.905 ( 19.625 0.000 3.756) 19.982 31.782 ( -16.043 0.000 -14.604) 21.695 31.782 ( 16.043 0.000 -14.604) 21.695 33.227 ( -8.092 0.000 17.056) 18.878 33.227 ( 8.092 0.000 17.056) 18.878 34.638 ( -6.644 0.000 3.463) 7.492 34.638 ( 6.644 0.000 3.463) 7.492 35.170 ( -6.771 0.000 4.645) 8.211 35.170 ( 6.771 0.000 4.645) 8.211 35.791 ( -9.401 0.000 -5.004) 10.650 35.791 ( 9.401 0.000 -5.004) 10.650 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 15.603 30.938) 34.650 1.647 ( 0.000 18.404 29.934) 35.139 2.553 ( 0.000 23.930 46.790) 52.555 3.128 ( 0.000 11.636 7.324) 13.749 3.331 ( 0.000 15.211 -0.689) 15.227 3.483 ( 0.000 7.827 31.740) 32.691 3.514 ( 0.000 2.224 9.936) 10.182 3.877 ( 0.000 7.020 -6.971) 9.894 4.281 ( 0.000 7.347 1.786) 7.561 4.474 ( 0.000 -2.357 -2.190) 3.217 4.570 ( 0.000 -5.396 4.298) 6.898 4.833 ( 0.000 -5.660 11.803) 13.090 4.875 ( 0.000 -4.911 8.988) 10.242 5.051 ( 0.000 1.320 4.464) 4.655 5.095 ( 0.000 -5.527 -1.613) 5.758 5.574 ( 0.000 5.012 -10.264) 11.422 5.595 ( 0.000 -3.714 9.634) 10.325 5.761 ( 0.000 -0.292 -8.822) 8.827 6.033 ( 0.000 4.186 4.340) 6.030 6.468 ( 0.000 -2.257 -9.730) 9.989 6.619 ( 0.000 -3.395 -10.267) 10.814 6.756 ( 0.000 -3.551 14.521) 14.949 6.991 ( 0.000 -3.824 -8.486) 9.308 7.042 ( 0.000 -4.348 -12.011) 12.774 7.113 ( 0.000 -5.611 -4.934) 7.471 7.125 ( 0.000 -1.434 -4.843) 5.051 7.963 ( 0.000 -37.673 -6.495) 38.229 8.141 ( 0.000 1.850 -17.156) 17.255 8.624 ( 0.000 3.378 4.053) 5.276 9.221 ( 0.000 16.994 0.630) 17.005 9.653 ( 0.000 3.944 0.325) 3.958 10.432 ( 0.000 -1.321 -4.076) 4.285 11.586 ( 0.000 -3.670 -6.786) 7.715 11.882 ( 0.000 4.820 -3.321) 5.853 11.909 ( 0.000 -4.745 -15.774) 16.473 12.042 ( 0.000 0.298 -14.613) 14.616 13.186 ( 0.000 10.948 3.941) 11.636 13.389 ( 0.000 1.878 -3.325) 3.819 14.330 ( 0.000 0.369 0.149) 0.398 14.406 ( 0.000 -5.315 1.181) 5.444 14.430 ( 0.000 -0.285 4.149) 4.159 14.614 ( 0.000 -5.570 1.968) 5.907 14.622 ( 0.000 2.859 4.852) 5.631 14.967 ( 0.000 -12.593 2.480) 12.835 17.133 ( 0.000 0.724 1.315) 1.501 17.177 ( 0.000 -1.803 1.007) 2.065 17.310 ( 0.000 -1.076 -1.107) 1.544 17.489 ( 0.000 -10.218 2.217) 10.456 17.684 ( 0.000 -1.637 2.856) 3.292 17.835 ( 0.000 -1.603 1.195) 1.999 17.853 ( 0.000 -0.546 -1.172) 1.293 18.032 ( 0.000 -6.173 -3.465) 7.079 19.997 ( 0.000 18.079 1.485) 18.140 20.081 ( 0.000 2.502 -3.897) 4.631 20.297 ( 0.000 6.751 -3.105) 7.431 20.759 ( 0.000 -0.967 2.651) 2.822 28.802 ( 0.000 -1.767 -3.103) 3.571 28.880 ( 0.000 -0.992 1.600) 1.883 29.104 ( 0.000 0.966 1.618) 1.885 29.266 ( 0.000 -0.479 4.711) 4.736 30.082 ( 0.000 1.347 7.754) 7.870 30.505 ( 0.000 -2.610 3.455) 4.330 31.709 ( 0.000 1.922 -4.983) 5.341 32.219 ( 0.000 -1.848 -2.331) 2.975 32.980 ( 0.000 2.780 18.430) 18.638 33.376 ( 0.000 -6.922 -0.611) 6.949 33.928 ( 0.000 -29.299 23.496) 37.557 34.728 ( 0.000 -18.184 10.450) 20.973 35.289 ( 0.000 4.914 0.101) 4.915 35.319 ( 0.000 9.820 -5.501) 11.256 36.168 ( 0.000 5.799 -7.180) 9.229 36.216 ( 0.000 20.566 -16.848) 26.586 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.17 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 9.152 11.071 27.323) 30.869 1.812 ( 17.864 17.298 25.603) 35.691 2.842 ( 16.202 11.919 26.233) 33.057 3.180 ( 9.801 17.588 18.058) 27.046 3.301 ( -1.905 12.475 9.527) 15.812 3.384 ( -8.083 2.512 12.895) 15.425 3.494 ( -2.690 8.943 18.451) 20.680 3.964 ( 7.055 1.156 -6.009) 9.339 4.379 ( 9.112 8.420 1.992) 12.565 4.491 ( 0.670 -4.680 -1.931) 5.107 4.552 ( -0.767 -4.660 3.061) 5.628 4.761 ( -2.739 -8.041 10.713) 13.672 4.929 ( 0.850 -6.520 0.162) 6.577 5.009 ( 5.682 -3.262 8.184) 10.483 5.293 ( 12.386 5.073 3.661) 13.876 5.496 ( -11.673 -2.366 -4.888) 12.874 5.622 ( 4.486 5.386 -8.275) 10.845 5.876 ( -15.115 0.332 0.516) 15.127 5.978 ( 18.152 -3.819 -1.346) 18.598 6.418 ( -7.009 -2.882 -5.985) 9.657 6.459 ( -6.190 -0.085 -7.874) 10.016 6.757 ( -1.476 -1.149 11.190) 11.346 6.787 ( -18.486 -2.333 -2.392) 18.785 6.944 ( -2.155 -4.995 -6.368) 8.375 7.120 ( 2.447 0.464 -10.257) 10.555 7.264 ( -0.636 3.609 -2.345) 4.350 7.773 ( -13.795 -22.915 -6.674) 27.567 8.183 ( -7.623 -9.049 -10.423) 15.769 8.568 ( 3.849 10.091 0.382) 10.807 9.270 ( 6.421 10.798 3.039) 12.926 9.769 ( 12.307 -1.689 -1.753) 12.545 10.622 ( 12.591 -7.435 -13.671) 20.018 11.596 ( 1.259 -3.357 -7.107) 7.961 11.859 ( -2.013 1.349 -7.545) 7.925 11.892 ( -2.255 -2.217 -12.291) 12.692 12.006 ( -3.422 0.397 -11.457) 11.964 13.180 ( -0.202 9.954 4.073) 10.757 13.368 ( -2.084 2.683 -2.670) 4.321 14.278 ( -3.026 0.940 0.844) 3.279 14.393 ( -2.200 -3.686 -0.978) 4.403 14.499 ( 4.959 -0.679 3.891) 6.339 14.593 ( 0.913 -2.748 3.835) 4.806 14.674 ( 3.327 -2.409 4.389) 6.011 15.002 ( 2.276 -11.163 2.349) 11.632 17.128 ( -0.359 0.509 0.776) 0.995 17.185 ( 0.163 -0.806 -0.121) 0.831 17.282 ( -2.867 -1.701 1.495) 3.654 17.383 ( -6.757 -3.481 1.572) 7.762 17.662 ( -1.359 -2.907 1.327) 3.472 17.863 ( -0.809 -3.684 -0.485) 3.803 17.871 ( 2.383 -1.768 0.423) 2.998 18.022 ( -0.463 -6.207 -2.300) 6.636 19.956 ( -2.951 14.851 2.716) 15.383 20.052 ( -3.327 8.203 -4.933) 10.134 20.343 ( 4.717 2.675 -0.367) 5.435 20.740 ( -2.012 -0.887 2.290) 3.175 28.777 ( -1.255 -0.248 -1.653) 2.090 28.921 ( 3.822 -1.176 1.132) 4.156 29.091 ( -3.317 0.320 -0.076) 3.333 29.228 ( -2.089 -0.922 4.743) 5.264 30.218 ( 13.199 1.859 6.843) 14.983 30.772 ( 23.410 -4.531 -3.668) 24.125 31.616 ( -9.055 1.914 -4.121) 10.131 32.172 ( -5.254 -2.332 -4.812) 7.497 32.990 ( 1.801 1.664 18.251) 18.415 33.368 ( -1.393 -5.706 4.742) 7.549 33.983 ( 5.507 -28.227 19.736) 34.880 34.657 ( -6.712 -18.065 10.087) 21.751 35.255 ( 0.142 9.977 -1.927) 10.162 35.438 ( 8.041 5.040 -3.899) 10.260 36.055 ( -14.238 21.920 -10.762) 28.267 36.129 ( -4.076 5.739 -7.076) 9.981 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.33 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 27.323 1.847 17.383) 32.436 2.236 ( 23.663 12.299 20.472) 33.620 2.858 ( -9.168 4.295 9.929) 14.180 3.072 ( -17.713 3.883 18.755) 26.088 3.319 ( 0.589 9.961 3.210) 10.482 3.420 ( -3.957 11.405 12.822) 17.611 3.680 ( 30.133 14.410 19.952) 38.907 4.107 ( 7.534 -8.375 -5.359) 12.475 4.396 ( -7.270 -11.844 -0.084) 13.897 4.536 ( 4.934 -0.002 1.385) 5.125 4.613 ( 2.100 -3.985 4.019) 6.037 4.815 ( 5.956 -3.427 1.947) 7.142 4.928 ( -3.214 -5.239 -7.745) 9.888 5.059 ( -22.778 -3.094 -6.262) 23.824 5.260 ( 17.086 0.009 8.172) 18.939 5.504 ( 5.144 5.655 9.402) 12.117 5.670 ( 4.181 1.951 3.082) 5.548 5.833 ( 14.031 8.041 -3.667) 16.582 6.173 ( -9.206 0.791 2.523) 9.578 6.245 ( -12.592 5.181 -5.713) 14.766 6.306 ( -11.382 -0.016 7.766) 13.779 6.524 ( -5.433 1.510 -3.915) 6.865 6.698 ( 2.688 -3.993 -2.065) 5.237 6.953 ( 3.079 -4.913 -2.561) 6.339 7.141 ( -0.988 0.165 -6.404) 6.482 7.209 ( -1.848 2.564 -3.459) 4.685 7.480 ( -14.082 -6.370 -2.776) 15.703 7.804 ( -23.172 7.541 -0.825) 24.383 8.895 ( 21.889 -0.836 -7.871) 23.276 9.364 ( 0.666 2.427 -0.891) 2.669 10.095 ( 19.823 -9.386 -4.926) 22.480 10.720 ( -4.405 -13.595 -16.468) 21.805 11.646 ( 3.958 -1.550 -9.719) 10.607 11.800 ( -4.096 -3.107 -14.662) 15.538 11.840 ( -1.663 1.193 -4.575) 5.012 11.927 ( -4.446 -0.004 -7.536) 8.750 13.193 ( 1.704 8.097 3.090) 8.832 13.313 ( -3.447 4.416 -1.008) 5.692 14.243 ( -0.474 1.379 0.084) 1.460 14.326 ( -3.969 -0.688 -1.388) 4.261 14.588 ( 3.867 -1.802 3.729) 5.666 14.636 ( 1.984 -5.142 3.259) 6.403 14.760 ( 6.033 -2.559 5.689) 8.678 15.002 ( -2.907 -8.258 3.936) 9.599 17.120 ( -0.371 1.032 -1.172) 1.605 17.155 ( -2.102 1.064 -1.806) 2.968 17.255 ( 0.563 -1.960 3.686) 4.213 17.305 ( -2.232 -0.872 0.218) 2.406 17.649 ( 0.521 -3.430 -0.441) 3.497 17.794 ( -5.326 -4.807 -1.759) 7.387 17.925 ( 2.996 -3.522 1.150) 4.765 18.013 ( -0.950 -5.953 0.043) 6.029 19.915 ( -0.921 12.742 2.450) 13.008 19.977 ( -3.694 9.963 -1.997) 10.811 20.458 ( 6.549 0.173 0.399) 6.564 20.680 ( -4.172 -0.797 1.513) 4.509 28.783 ( 2.068 0.859 -1.028) 2.464 28.962 ( -4.636 0.328 -1.160) 4.791 29.033 ( 3.270 -1.006 2.733) 4.379 29.191 ( -2.572 -1.769 2.733) 4.149 30.548 ( 19.742 2.734 5.197) 20.597 31.185 ( 7.341 -0.735 -3.157) 8.025 31.439 ( 0.452 -2.387 -9.379) 9.689 32.008 ( -11.639 -3.390 -9.374) 15.324 33.066 ( 5.808 -0.314 18.005) 18.921 33.309 ( -4.755 -4.053 12.540) 14.010 34.126 ( 8.727 -25.141 14.073) 30.105 34.495 ( -9.433 -18.973 9.985) 23.423 35.303 ( 4.732 13.169 -2.411) 14.199 35.567 ( 1.508 7.494 -5.910) 9.663 35.797 ( -7.079 17.945 -3.009) 19.524 36.018 ( -7.169 5.276 -5.826) 10.638 ======================= Grid point 108 (40/96) ======================= q-point: (-0.50 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -23.426 1.539 11.115) 25.975 2.545 ( 23.426 1.539 11.115) 25.975 2.675 ( -21.265 5.193 21.341) 30.572 2.675 ( 21.265 5.193 21.341) 30.572 3.353 ( -2.717 11.667 5.790) 13.305 3.353 ( 2.717 11.667 5.790) 13.305 4.192 ( -12.156 -4.344 -1.426) 12.987 4.192 ( 12.156 -4.344 -1.426) 12.987 4.353 ( -19.926 -2.178 -2.547) 20.206 4.353 ( 19.926 -2.178 -2.547) 20.206 4.644 ( -4.154 -6.765 2.450) 8.308 4.644 ( 4.154 -6.765 2.450) 8.308 4.956 ( -4.168 -3.500 -0.811) 5.503 4.956 ( 4.168 -3.500 -0.811) 5.503 5.577 ( -8.089 -0.982 8.517) 11.787 5.577 ( 8.089 -0.982 8.517) 11.787 5.823 ( -13.569 8.551 -0.388) 16.043 5.823 ( 13.569 8.551 -0.388) 16.043 6.097 ( -1.956 1.798 7.211) 7.685 6.097 ( 1.956 1.798 7.211) 7.685 6.227 ( -19.528 10.811 2.120) 22.421 6.227 ( 19.528 10.811 2.120) 22.421 6.976 ( -12.124 -8.909 -7.412) 16.772 6.976 ( 12.124 -8.909 -7.412) 16.772 7.090 ( -1.839 -4.078 -3.282) 5.548 7.090 ( 1.839 -4.078 -3.282) 5.548 7.451 ( -11.168 11.211 -1.843) 15.931 7.451 ( 11.168 11.211 -1.843) 15.931 9.249 ( -12.831 -0.652 -5.877) 14.128 9.249 ( 12.831 -0.652 -5.877) 14.128 10.479 ( -18.269 -14.452 -9.777) 25.263 10.479 ( 18.269 -14.452 -9.777) 25.263 11.727 ( -3.746 -0.541 -13.328) 13.855 11.727 ( 3.746 -0.541 -13.328) 13.855 11.849 ( -2.837 -0.861 -5.345) 6.112 11.849 ( 2.837 -0.861 -5.345) 6.112 13.244 ( -3.369 6.276 1.076) 7.204 13.244 ( 3.369 6.276 1.076) 7.204 14.261 ( -2.325 0.799 -0.811) 2.589 14.261 ( 2.325 0.799 -0.811) 2.589 14.641 ( -1.445 -3.396 3.408) 5.024 14.641 ( 1.445 -3.396 3.408) 5.024 14.897 ( -7.187 -5.075 5.585) 10.421 14.897 ( 7.187 -5.075 5.585) 10.421 17.127 ( -1.037 1.245 -2.438) 2.928 17.127 ( 1.037 1.245 -2.438) 2.928 17.274 ( -1.209 -1.118 1.878) 2.497 17.274 ( 1.209 -1.118 1.878) 2.497 17.695 ( -4.149 -4.392 -1.566) 6.242 17.695 ( 4.149 -4.392 -1.566) 6.242 17.980 ( -2.447 -5.057 1.108) 5.726 17.980 ( 2.447 -5.057 1.108) 5.726 19.923 ( -1.706 11.024 0.766) 11.182 19.923 ( 1.706 11.024 0.766) 11.182 20.581 ( -5.927 -0.581 0.760) 6.004 20.581 ( 5.927 -0.581 0.760) 6.004 28.854 ( -5.012 1.062 -0.739) 5.176 28.854 ( 5.012 1.062 -0.739) 5.176 29.122 ( -4.456 -1.758 2.221) 5.280 29.122 ( 4.456 -1.758 2.221) 5.280 30.940 ( -19.775 3.316 3.391) 20.336 30.940 ( 19.775 3.316 3.391) 20.336 31.728 ( -17.111 -4.966 -13.252) 22.205 31.728 ( 17.111 -4.966 -13.252) 22.205 33.193 ( -6.779 -2.297 16.662) 18.135 33.193 ( 6.779 -2.297 16.662) 18.135 34.307 ( -9.776 -21.589 11.018) 26.136 34.307 ( 9.776 -21.589 11.018) 26.136 35.438 ( -8.981 15.965 -3.697) 18.687 35.438 ( 8.981 15.965 -3.697) 18.687 35.865 ( -8.112 5.985 -4.023) 10.853 35.865 ( 8.112 5.985 -4.023) 10.853 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 23.406 22.550) 32.501 2.161 ( 0.000 27.697 16.222) 32.098 3.111 ( 0.000 23.356 22.278) 32.277 3.275 ( 0.000 2.161 17.580) 17.713 3.562 ( 0.000 6.290 10.121) 11.917 3.657 ( 0.000 11.242 14.470) 18.324 3.786 ( 0.000 6.083 17.882) 18.888 3.948 ( 0.000 6.722 -2.838) 7.297 4.373 ( 0.000 -9.353 7.597) 12.050 4.378 ( 0.000 -2.993 0.579) 3.048 4.481 ( 0.000 2.549 4.239) 4.947 4.745 ( 0.000 -10.768 7.004) 12.845 4.839 ( 0.000 -2.172 4.638) 5.122 4.876 ( 0.000 4.682 1.857) 5.037 5.145 ( 0.000 9.959 4.589) 10.965 5.483 ( 0.000 -6.263 7.285) 9.606 5.710 ( 0.000 6.173 -10.053) 11.797 5.867 ( 0.000 9.031 -12.054) 15.062 6.115 ( 0.000 2.826 0.637) 2.897 6.391 ( 0.000 -5.040 -7.479) 9.018 6.443 ( 0.000 -14.292 -2.990) 14.601 6.690 ( 0.000 -7.541 0.985) 7.605 6.855 ( 0.000 -6.568 -15.668) 16.989 6.872 ( 0.000 -12.306 -4.031) 12.950 7.058 ( 0.000 -0.887 -1.267) 1.547 7.084 ( 0.000 -2.484 -4.475) 5.118 7.286 ( 0.000 -16.852 -3.899) 17.297 7.974 ( 0.000 -15.211 -8.877) 17.611 8.857 ( 0.000 15.648 2.423) 15.835 9.443 ( 0.000 3.641 -0.230) 3.648 9.816 ( 0.000 11.044 4.288) 11.847 10.381 ( 0.000 -3.676 -3.428) 5.026 11.532 ( 0.000 -1.069 -9.632) 9.691 11.779 ( 0.000 -6.959 -16.997) 18.366 11.969 ( 0.000 2.975 -5.218) 6.007 12.032 ( 0.000 -0.762 -13.509) 13.531 13.462 ( 0.000 13.539 -0.182) 13.540 13.463 ( 0.000 5.302 -1.897) 5.631 14.266 ( 0.000 -7.556 1.043) 7.628 14.289 ( 0.000 -9.498 -0.152) 9.500 14.410 ( 0.000 -5.666 5.802) 8.110 14.426 ( 0.000 -0.281 4.146) 4.155 14.677 ( 0.000 2.319 4.635) 5.183 14.808 ( 0.000 -3.000 2.510) 3.911 17.137 ( 0.000 -1.172 1.315) 1.762 17.150 ( 0.000 0.721 0.931) 1.177 17.283 ( 0.000 -1.255 -1.256) 1.776 17.356 ( 0.000 -3.215 0.554) 3.262 17.671 ( 0.000 -0.039 3.002) 3.002 17.788 ( 0.000 -2.661 1.409) 3.011 17.838 ( 0.000 -0.823 -1.620) 1.817 17.897 ( 0.000 -5.324 -2.693) 5.966 20.151 ( 0.000 3.750 -4.323) 5.723 20.222 ( 0.000 4.685 7.152) 8.550 20.486 ( 0.000 8.393 -10.767) 13.651 20.729 ( 0.000 -1.788 2.710) 3.247 28.774 ( 0.000 -0.583 -1.880) 1.968 28.850 ( 0.000 -1.767 0.273) 1.788 29.134 ( 0.000 1.804 2.776) 3.310 29.250 ( 0.000 -1.108 4.653) 4.784 30.129 ( 0.000 3.095 6.674) 7.357 30.427 ( 0.000 -4.529 3.816) 5.922 31.778 ( 0.000 4.581 -4.917) 6.721 32.156 ( 0.000 -4.125 -4.389) 6.023 33.049 ( 0.000 2.452 20.160) 20.308 33.207 ( 0.000 -7.856 3.751) 8.705 33.512 ( 0.000 -8.254 22.483) 23.950 34.310 ( 0.000 -20.226 14.811) 25.069 35.419 ( 0.000 6.456 -1.613) 6.655 35.493 ( 0.000 6.133 -7.483) 9.675 36.312 ( 0.000 6.959 -7.471) 10.210 36.495 ( 0.000 6.192 -16.931) 18.028 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.17 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.173 20.072 20.642) 28.792 2.288 ( 12.173 25.788 19.286) 34.426 3.103 ( -1.831 9.974 11.996) 15.708 3.350 ( -3.513 -0.881 9.791) 10.440 3.556 ( -2.125 6.606 10.399) 12.501 3.620 ( 7.643 17.688 24.896) 31.482 3.765 ( -2.171 7.075 12.371) 14.415 3.928 ( -2.037 0.594 0.046) 2.122 4.296 ( -7.507 -11.063 7.343) 15.253 4.475 ( 1.506 -1.009 4.357) 4.719 4.531 ( 10.775 1.256 0.880) 10.883 4.681 ( -3.044 -1.009 7.549) 8.202 4.766 ( -1.580 -1.007 -1.514) 2.409 5.013 ( 9.872 3.221 5.716) 11.854 5.270 ( 6.019 -1.690 4.825) 7.897 5.493 ( -1.920 -3.426 -4.038) 5.633 5.791 ( 0.727 7.268 -6.890) 10.042 5.864 ( -10.120 -0.339 -2.197) 10.361 5.960 ( 13.162 6.163 -3.890) 15.045 6.343 ( -4.115 -4.841 -4.735) 7.924 6.480 ( 1.707 1.889 -7.511) 7.930 6.679 ( 4.337 -10.025 2.665) 11.243 6.758 ( -9.196 -3.302 -0.184) 9.772 6.827 ( -12.826 -4.631 0.627) 13.650 7.098 ( 3.844 -2.965 -9.941) 11.063 7.215 ( -1.016 -3.719 -0.920) 3.964 7.358 ( 16.269 -12.569 -12.220) 23.917 7.926 ( -4.432 -14.101 -7.225) 16.453 8.828 ( -0.858 13.961 2.640) 14.235 9.504 ( 4.071 6.769 0.058) 7.900 9.740 ( -4.375 1.974 1.997) 5.198 10.439 ( 2.707 -9.387 -8.628) 13.034 11.544 ( 1.787 -1.136 -9.292) 9.530 11.757 ( -2.022 -6.334 -16.050) 17.372 11.935 ( -3.161 2.119 -5.889) 7.011 12.004 ( -3.010 -0.455 -10.712) 11.136 13.428 ( -1.549 10.615 0.056) 10.728 13.479 ( 0.073 9.357 -0.526) 9.372 14.256 ( -0.873 -7.681 1.002) 7.795 14.272 ( -1.065 -5.905 -0.997) 6.083 14.438 ( 2.871 -5.791 5.847) 8.716 14.494 ( 5.199 -2.067 3.437) 6.566 14.648 ( -1.362 1.225 5.406) 5.708 14.840 ( 1.872 -4.242 3.220) 5.646 17.136 ( 0.094 0.036 0.797) 0.803 17.164 ( 1.067 -0.418 0.938) 1.481 17.257 ( -2.481 -0.605 -0.290) 2.570 17.323 ( -2.709 -2.235 0.444) 3.540 17.634 ( -2.371 0.171 2.049) 3.138 17.799 ( -2.749 -2.235 -0.754) 3.623 17.822 ( 0.920 -3.018 0.084) 3.156 17.894 ( -0.119 -4.861 -1.744) 5.165 20.128 ( -1.143 5.821 -1.120) 6.037 20.267 ( 2.568 5.483 3.118) 6.810 20.440 ( -3.203 6.502 -8.221) 10.960 20.710 ( -2.036 -1.918 2.256) 3.593 28.778 ( 0.693 0.480 -1.443) 1.672 28.886 ( 3.457 -2.012 0.130) 4.002 29.106 ( -3.431 1.094 1.541) 3.917 29.203 ( -3.401 -1.370 4.356) 5.693 30.278 ( 14.392 3.817 5.874) 16.007 30.651 ( 20.663 -6.446 -0.020) 21.645 31.687 ( -9.075 4.771 -3.713) 10.904 32.095 ( -6.536 -4.927 -5.881) 10.079 33.032 ( 0.067 1.561 17.798) 17.866 33.264 ( 3.102 -3.131 7.626) 8.808 33.533 ( 3.136 -12.461 21.104) 24.708 34.243 ( -6.547 -19.894 14.507) 25.477 35.450 ( 3.524 8.041 -3.030) 9.287 35.558 ( 6.115 5.131 -6.323) 10.184 36.262 ( -4.967 6.382 -6.767) 10.544 36.374 ( -11.366 8.038 -14.175) 19.868 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.33 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 17.648 10.866 16.714) 26.625 2.578 ( 16.394 19.372 19.329) 31.901 2.979 ( -13.115 5.921 9.027) 16.987 3.137 ( -13.511 3.516 15.471) 20.839 3.498 ( -1.942 -1.799 5.435) 6.046 3.639 ( -7.254 2.610 8.225) 11.274 3.885 ( 3.480 -4.188 5.901) 8.030 3.977 ( 12.992 6.212 8.094) 16.520 4.133 ( -5.170 -8.741 6.834) 12.241 4.495 ( 0.179 -0.976 5.121) 5.216 4.582 ( -1.506 2.047 5.190) 5.779 4.809 ( 4.376 0.639 -4.824) 6.545 4.819 ( 9.775 0.758 0.370) 9.811 4.989 ( -22.521 -1.635 -9.322) 24.429 5.281 ( 15.353 1.219 8.167) 17.433 5.604 ( 7.993 0.357 3.967) 8.930 5.725 ( 3.819 2.935 1.948) 5.195 6.034 ( 11.660 9.859 -3.309) 15.623 6.173 ( 5.214 -0.591 4.720) 7.058 6.336 ( -15.617 3.699 -0.271) 16.051 6.378 ( 1.508 3.997 -2.994) 5.217 6.462 ( -6.008 -3.504 -1.373) 7.089 6.668 ( -5.177 -1.478 -3.848) 6.618 6.791 ( 2.175 -14.022 -2.478) 14.405 7.101 ( -3.593 -2.741 -3.124) 5.494 7.217 ( 1.549 7.612 -8.546) 11.548 7.518 ( 1.762 5.849 -1.580) 6.310 7.848 ( -5.054 -5.578 -4.973) 9.022 8.939 ( 13.440 5.922 -4.274) 15.296 9.454 ( -8.194 6.515 -1.407) 10.563 9.811 ( 10.653 -16.387 -1.907) 19.639 10.372 ( -10.703 -17.605 -13.018) 24.371 11.619 ( 5.862 -0.687 -9.583) 11.255 11.723 ( -0.730 -3.628 -12.484) 13.021 11.859 ( -4.229 0.650 -6.246) 7.571 11.921 ( -5.388 -0.701 -7.979) 9.653 13.415 ( 0.335 11.568 1.204) 11.635 13.467 ( -1.278 10.409 0.647) 10.507 14.237 ( -0.815 -4.479 -0.896) 4.639 14.252 ( -1.180 -6.857 -1.191) 7.058 14.509 ( 3.884 -4.228 5.369) 7.861 14.567 ( 1.547 -0.318 3.841) 4.153 14.675 ( 4.411 -3.799 6.384) 8.640 14.845 ( -1.741 -5.816 4.693) 7.674 17.142 ( 0.532 0.886 -0.202) 1.054 17.175 ( -0.598 0.417 -1.038) 1.268 17.217 ( -0.309 -0.964 2.354) 2.562 17.274 ( -2.225 -1.965 0.608) 3.030 17.606 ( -0.361 -0.077 0.473) 0.600 17.711 ( -5.096 -1.858 -1.734) 5.695 17.847 ( 1.256 -4.119 0.614) 4.349 17.889 ( -0.581 -5.282 -0.375) 5.327 20.125 ( 0.971 8.402 -0.514) 8.474 20.246 ( -4.179 11.374 -1.736) 12.241 20.452 ( 4.392 -0.778 -1.507) 4.708 20.649 ( -4.169 -2.176 1.424) 4.913 28.811 ( 2.868 1.759 -0.911) 3.486 28.958 ( 1.761 -1.210 -0.698) 2.248 29.018 ( -2.951 0.234 1.984) 3.564 29.143 ( -3.219 -2.533 2.476) 4.786 30.633 ( 20.956 5.204 4.132) 21.984 31.105 ( 22.580 -6.814 -5.086) 24.128 31.447 ( -14.125 3.760 -2.230) 14.786 31.900 ( -13.440 -6.478 -8.247) 17.047 33.076 ( 4.231 1.506 16.615) 17.212 33.262 ( -3.058 1.087 13.221) 13.613 33.658 ( 9.319 -17.865 16.487) 26.035 34.075 ( -10.310 -19.454 14.151) 26.172 35.561 ( 7.886 10.429 -4.621) 13.868 35.701 ( 7.616 5.392 -6.483) 11.363 36.105 ( -12.625 8.815 -5.981) 16.518 36.141 ( -9.029 5.901 -7.890) 13.364 ======================= Grid point 115 (44/96) ======================= q-point: (-0.50 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -24.563 3.974 11.618) 27.461 2.583 ( 24.563 3.974 11.618) 27.461 2.882 ( -14.034 13.055 19.172) 27.110 2.882 ( 14.034 13.055 19.172) 27.110 3.513 ( -4.113 -4.569 4.174) 7.431 3.513 ( 4.113 -4.569 4.174) 7.431 3.959 ( -5.193 -9.247 5.058) 11.749 3.959 ( 5.193 -9.247 5.058) 11.749 4.362 ( -15.272 0.710 2.476) 15.487 4.362 ( 15.272 0.710 2.476) 15.487 4.642 ( -9.129 4.513 0.334) 10.190 4.642 ( 9.129 4.513 0.334) 10.190 4.887 ( -2.057 1.251 -4.785) 5.357 4.887 ( 2.057 1.251 -4.785) 5.357 5.581 ( -11.103 0.072 8.012) 13.692 5.581 ( 11.103 0.072 8.012) 13.692 5.960 ( -16.298 3.682 1.039) 16.741 5.960 ( 16.298 3.682 1.039) 16.741 6.149 ( -5.206 2.225 4.664) 7.335 6.149 ( 5.206 2.225 4.664) 7.335 6.456 ( -16.086 6.564 -2.430) 17.543 6.456 ( 16.086 6.564 -2.430) 17.543 6.706 ( -12.081 -12.610 -5.969) 18.455 6.706 ( 12.081 -12.610 -5.969) 18.455 7.124 ( -6.891 8.087 -1.833) 10.782 7.124 ( 6.891 8.087 -1.833) 10.782 7.670 ( -11.755 7.439 -3.493) 14.343 7.670 ( 11.755 7.439 -3.493) 14.343 9.241 ( -14.308 0.669 -5.908) 15.494 9.241 ( 14.308 0.669 -5.908) 15.494 10.081 ( -16.481 -21.143 -7.801) 27.920 10.081 ( 16.481 -21.143 -7.801) 27.920 11.721 ( -2.038 0.145 -10.953) 11.142 11.721 ( 2.038 0.145 -10.953) 11.142 11.820 ( -2.842 -1.786 -6.340) 7.173 11.820 ( 2.842 -1.786 -6.340) 7.173 13.436 ( -1.597 11.435 1.338) 11.623 13.436 ( 1.597 11.435 1.338) 11.623 14.233 ( -0.474 -5.226 -1.486) 5.454 14.233 ( 0.474 -5.226 -1.486) 5.454 14.565 ( -1.577 -2.038 4.897) 5.533 14.565 ( 1.577 -2.038 4.897) 5.533 14.776 ( -5.026 -5.587 5.850) 9.523 14.776 ( 5.026 -5.587 5.850) 9.523 17.156 ( -0.899 1.244 -1.191) 1.943 17.156 ( 0.899 1.244 -1.191) 1.943 17.237 ( -1.649 -2.113 1.860) 3.262 17.237 ( 1.649 -2.113 1.860) 3.262 17.629 ( -2.886 -0.718 -0.958) 3.124 17.629 ( 2.886 -0.718 -0.958) 3.124 17.871 ( -1.166 -5.074 0.327) 5.217 17.871 ( 1.166 -5.074 0.327) 5.217 20.167 ( -3.340 10.598 -1.302) 11.188 20.167 ( 3.340 10.598 -1.302) 11.188 20.554 ( -5.438 -2.080 0.393) 5.835 20.554 ( 5.438 -2.080 0.393) 5.835 28.887 ( -4.801 2.050 -0.464) 5.241 28.887 ( 4.801 2.050 -0.464) 5.241 29.071 ( -4.181 -2.863 1.571) 5.306 29.071 ( 4.181 -2.863 1.571) 5.306 31.043 ( -20.179 6.191 2.105) 21.212 31.043 ( 20.179 6.191 2.105) 21.212 31.581 ( -19.166 -8.359 -9.336) 22.899 31.581 ( 19.166 -8.359 -9.336) 22.899 33.175 ( -5.383 1.413 15.593) 16.557 33.175 ( 5.383 1.413 15.593) 16.557 33.863 ( -11.228 -19.089 14.487) 26.464 33.863 ( 11.228 -19.089 14.487) 26.464 35.732 ( -7.585 11.449 -7.225) 15.518 35.732 ( 7.585 11.449 -7.225) 15.518 35.990 ( -4.743 4.398 -4.148) 7.684 35.990 ( 4.743 4.398 -4.148) 7.684 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 22.116 12.074) 25.197 2.698 ( 0.000 15.151 5.797) 16.222 3.257 ( 0.000 -1.113 11.787) 11.839 3.375 ( 0.000 -0.874 4.674) 4.755 3.635 ( 0.000 -4.445 14.084) 14.769 3.640 ( 0.000 1.277 15.908) 15.959 3.916 ( 0.000 4.029 17.525) 17.982 4.037 ( 0.000 -8.831 18.743) 20.719 4.141 ( 0.000 -1.549 14.914) 14.994 4.278 ( 0.000 -2.666 8.267) 8.686 4.586 ( 0.000 5.856 7.577) 9.576 4.632 ( 0.000 0.075 5.358) 5.359 4.977 ( 0.000 8.343 1.959) 8.569 5.036 ( 0.000 7.142 -3.244) 7.844 5.400 ( 0.000 4.074 3.114) 5.128 5.534 ( 0.000 24.983 0.091) 24.984 5.722 ( 0.000 -11.658 -6.475) 13.335 6.051 ( 0.000 -1.470 -6.860) 7.016 6.111 ( 0.000 -5.772 -5.857) 8.223 6.131 ( 0.000 -1.555 -4.410) 4.676 6.195 ( 0.000 -22.485 -1.034) 22.509 6.257 ( 0.000 -7.190 -4.112) 8.283 6.751 ( 0.000 -1.441 -12.143) 12.228 6.757 ( 0.000 -2.349 -16.949) 17.111 7.045 ( 0.000 -0.361 -2.490) 2.516 7.049 ( 0.000 -0.877 -4.416) 4.502 7.294 ( 0.000 10.402 1.695) 10.539 7.604 ( 0.000 -17.400 -1.404) 17.456 9.186 ( 0.000 13.744 0.697) 13.761 9.407 ( 0.000 -6.410 -0.420) 6.423 10.065 ( 0.000 11.070 3.307) 11.554 10.265 ( 0.000 -7.370 -0.650) 7.398 11.546 ( 0.000 2.502 -13.117) 13.353 11.637 ( 0.000 -5.780 -16.035) 17.045 12.008 ( 0.000 0.895 -7.938) 7.989 12.019 ( 0.000 -0.433 -10.758) 10.766 13.616 ( 0.000 8.531 -0.970) 8.586 13.701 ( 0.000 5.793 -2.237) 6.210 14.029 ( 0.000 -7.711 4.136) 8.750 14.090 ( 0.000 -8.371 1.955) 8.596 14.397 ( 0.000 0.844 3.052) 3.167 14.415 ( 0.000 -0.728 3.419) 3.496 14.723 ( 0.000 2.025 4.036) 4.516 14.764 ( 0.000 -1.805 2.969) 3.474 17.135 ( 0.000 0.749 0.099) 0.756 17.153 ( 0.000 -0.571 0.097) 0.579 17.272 ( 0.000 0.542 -0.638) 0.837 17.303 ( 0.000 -2.101 0.078) 2.102 17.684 ( 0.000 1.379 2.154) 2.557 17.729 ( 0.000 -2.652 1.610) 3.102 17.822 ( 0.000 -0.521 -1.971) 2.039 17.827 ( 0.000 -1.356 -2.302) 2.672 20.227 ( 0.000 3.014 -3.529) 4.641 20.265 ( 0.000 -0.183 0.494) 0.527 20.615 ( 0.000 4.115 -2.898) 5.033 20.683 ( 0.000 -2.516 1.637) 3.002 28.779 ( 0.000 0.949 -1.481) 1.758 28.810 ( 0.000 -1.808 -0.856) 2.000 29.177 ( 0.000 2.088 3.763) 4.304 29.219 ( 0.000 -1.759 4.374) 4.715 30.213 ( 0.000 4.625 5.439) 7.140 30.320 ( 0.000 -5.237 4.455) 6.876 31.900 ( 0.000 6.577 -5.930) 8.855 32.042 ( 0.000 -6.325 -6.136) 8.812 33.052 ( 0.000 -0.732 18.178) 18.192 33.078 ( 0.000 -3.649 10.880) 11.476 33.566 ( 0.000 11.038 17.179) 20.420 33.892 ( 0.000 -18.190 16.457) 24.529 35.536 ( 0.000 3.944 -3.822) 5.492 35.570 ( 0.000 0.953 -6.146) 6.220 36.448 ( 0.000 5.524 -9.472) 10.965 36.532 ( 0.000 -1.766 -12.792) 12.913 ======================= Grid point 120 (46/96) ======================= q-point: ( 0.17 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -4.180 23.459 11.183) 26.322 2.773 ( 5.870 8.344 7.256) 12.519 3.176 ( -5.178 -0.802 13.787) 14.749 3.303 ( -4.670 3.577 6.119) 8.488 3.605 ( -4.152 -8.555 10.969) 14.517 3.616 ( -6.399 -7.078 11.785) 15.164 3.824 ( -7.042 1.481 19.211) 20.514 4.016 ( -4.292 -4.992 16.941) 18.175 4.155 ( 1.946 8.654 12.281) 15.149 4.406 ( 8.996 -8.975 7.443) 14.727 4.631 ( 3.544 10.676 6.577) 13.030 4.708 ( 7.280 2.106 4.654) 8.894 4.978 ( 1.445 13.660 -0.670) 13.753 5.108 ( 4.737 4.920 -4.810) 8.353 5.270 ( -13.712 -1.151 -5.319) 14.753 5.340 ( -0.880 -6.730 2.026) 7.084 5.784 ( -6.706 0.001 0.470) 6.722 5.951 ( 8.460 -6.032 -0.458) 10.401 6.117 ( -0.111 1.765 -3.356) 3.793 6.243 ( 12.207 3.320 -5.622) 13.844 6.361 ( 8.235 -6.237 -1.944) 10.512 6.493 ( 11.739 -4.320 -4.161) 13.183 6.697 ( -7.635 2.353 -7.308) 10.827 6.803 ( -12.271 -2.896 -0.282) 12.611 7.029 ( 7.084 -1.109 -10.046) 12.342 7.113 ( 16.109 -9.374 -13.996) 23.308 7.323 ( 3.480 10.840 -0.015) 11.385 7.609 ( 1.046 -14.896 -1.752) 15.035 9.144 ( -3.492 14.798 2.065) 15.344 9.424 ( 1.023 -10.467 0.303) 10.521 9.949 ( -11.328 13.226 0.044) 17.414 10.218 ( -5.861 -11.503 -4.639) 13.718 11.554 ( 1.366 2.091 -11.792) 12.054 11.632 ( -0.102 -5.000 -14.247) 15.099 11.968 ( -3.703 1.170 -8.148) 9.027 11.990 ( -3.226 -0.890 -9.087) 9.683 13.630 ( 1.443 9.764 -0.426) 9.879 13.712 ( 1.034 7.459 -1.282) 7.638 14.025 ( -0.461 -8.708 3.560) 9.419 14.086 ( -0.648 -9.342 1.581) 9.497 14.422 ( 2.827 1.642 3.640) 4.893 14.460 ( 4.034 -1.673 3.203) 5.416 14.697 ( -2.076 2.940 4.150) 5.493 14.765 ( -0.452 -3.314 3.567) 4.890 17.142 ( 0.675 0.721 0.217) 1.011 17.159 ( 0.516 -0.538 0.146) 0.759 17.253 ( -1.757 0.457 -0.288) 1.839 17.280 ( -2.188 -1.820 0.308) 2.862 17.665 ( -1.364 2.606 1.597) 3.347 17.737 ( 0.450 -3.812 1.412) 4.090 17.787 ( -2.923 0.483 -2.134) 3.651 17.820 ( -1.107 -2.395 -1.892) 3.247 20.238 ( 1.331 4.259 -2.633) 5.181 20.299 ( 3.190 -1.204 -0.173) 3.414 20.570 ( -4.265 5.005 -2.520) 7.042 20.656 ( -2.765 -3.186 1.322) 4.421 28.800 ( 2.104 1.529 -1.260) 2.890 28.840 ( 2.947 -2.157 -0.772) 3.733 29.136 ( -3.899 1.595 2.794) 5.055 29.171 ( -4.049 -1.619 3.688) 5.711 30.379 ( 15.946 5.522 4.475) 17.459 30.510 ( 17.955 -6.522 2.643) 19.285 31.814 ( -8.654 6.869 -4.945) 12.105 31.966 ( -7.874 -6.894 -6.131) 12.129 33.062 ( 2.404 2.338 15.534) 15.892 33.157 ( 6.370 -6.362 12.972) 15.790 33.528 ( -3.828 9.983 16.894) 19.993 33.836 ( -5.552 -17.525 16.032) 24.392 35.586 ( 5.171 4.386 -4.079) 7.913 35.626 ( 5.603 0.780 -5.764) 8.077 36.383 ( -6.507 4.636 -8.688) 11.804 36.444 ( -8.578 -0.530 -11.528) 14.379 ======================= Grid point 121 (47/96) ======================= q-point: ( 0.33 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 8.128 19.329 11.162) 23.754 2.876 ( 4.547 -9.462 5.027) 11.639 3.131 ( -1.047 15.950 15.927) 22.565 3.174 ( -11.110 7.717 11.003) 17.437 3.438 ( -10.874 -12.130 5.880) 17.319 3.457 ( -7.404 -1.272 13.701) 15.626 3.698 ( -4.252 -10.932 15.071) 19.098 3.829 ( -9.535 -12.578 14.636) 21.525 4.298 ( 9.583 13.469 5.880) 17.545 4.529 ( 4.938 -7.489 3.232) 9.535 4.615 ( -4.154 9.842 1.107) 10.740 4.791 ( -5.558 -5.499 -3.043) 8.390 5.066 ( 5.076 19.971 -2.456) 20.752 5.091 ( 1.710 10.229 -2.641) 10.702 5.266 ( 12.685 -3.923 4.111) 13.900 5.464 ( 7.230 -13.990 0.353) 15.752 5.781 ( 5.581 5.246 2.453) 8.043 6.010 ( 0.285 -13.255 0.163) 13.259 6.260 ( 12.409 8.486 -2.709) 15.275 6.396 ( -11.559 -0.095 4.028) 12.241 6.420 ( -9.759 1.706 -2.022) 10.111 6.466 ( -6.313 -3.237 -2.422) 7.497 6.515 ( 0.514 -0.689 -2.309) 2.464 6.606 ( 0.278 -4.675 -4.571) 6.544 7.203 ( 10.668 11.694 -7.377) 17.463 7.452 ( 8.800 10.299 -5.405) 14.585 7.513 ( 15.712 -9.907 -8.364) 20.371 7.649 ( 2.675 -7.448 -1.928) 8.145 9.132 ( 4.918 11.638 -0.115) 12.635 9.437 ( 1.338 -16.568 0.476) 16.628 9.671 ( -15.706 13.032 -5.448) 21.124 9.999 ( -16.789 -16.859 -9.555) 25.640 11.621 ( 5.661 0.911 -9.526) 11.119 11.657 ( 3.221 -2.428 -10.365) 11.122 11.875 ( -5.740 0.913 -7.637) 9.597 11.899 ( -6.004 -1.225 -7.873) 9.976 13.670 ( 2.544 12.392 0.771) 12.674 13.730 ( 0.420 11.828 0.600) 11.851 14.013 ( -0.499 -11.939 2.029) 12.120 14.058 ( -2.082 -11.238 0.915) 11.465 14.500 ( 4.774 2.194 4.178) 6.713 14.554 ( 5.143 -2.085 3.475) 6.548 14.656 ( -2.071 2.373 4.689) 5.649 14.737 ( -2.557 -4.573 4.258) 6.751 17.158 ( 0.928 0.705 0.398) 1.231 17.172 ( 0.787 -0.478 0.171) 0.937 17.214 ( -1.973 0.327 0.469) 2.054 17.233 ( -2.305 -1.555 0.586) 2.842 17.648 ( -0.152 3.702 0.389) 3.725 17.720 ( -3.369 2.174 -1.466) 4.270 17.746 ( 0.372 -4.915 0.343) 4.941 17.791 ( -1.700 -3.980 -1.261) 4.508 20.282 ( 3.225 6.129 -1.935) 7.191 20.375 ( 4.240 -1.610 0.095) 4.536 20.473 ( -5.044 5.216 -2.399) 7.642 20.582 ( -4.665 -4.197 0.670) 6.311 28.857 ( 3.759 2.478 -0.696) 4.556 28.913 ( 4.279 -2.587 -0.401) 5.016 29.043 ( -5.179 1.799 1.516) 5.688 29.089 ( -4.308 -2.405 1.963) 5.310 30.767 ( 22.553 7.187 2.107) 23.764 30.935 ( 24.013 -8.306 -1.214) 25.438 31.573 ( -16.018 7.356 -2.964) 17.873 31.742 ( -15.143 -8.009 -5.779) 18.079 33.145 ( 5.861 5.370 14.843) 16.837 33.299 ( 7.262 -6.056 12.836) 15.943 33.433 ( -4.933 4.638 16.485) 17.822 33.691 ( -8.994 -15.934 15.162) 23.763 35.732 ( 9.678 5.247 -4.675) 11.960 35.776 ( 9.562 1.056 -5.634) 11.149 36.210 ( -11.072 2.764 -6.629) 13.197 36.230 ( -12.389 1.339 -9.008) 15.376 ======================= Grid point 122 (48/96) ======================= q-point: (-0.50 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -18.796 12.673 9.614) 24.624 2.760 ( 18.796 12.673 9.614) 24.624 3.062 ( -9.116 -8.823 9.754) 16.003 3.062 ( 9.116 -8.823 9.754) 16.003 3.353 ( -4.290 8.402 12.967) 16.035 3.353 ( 4.290 8.402 12.967) 16.035 3.702 ( -4.013 -16.968 13.289) 21.923 3.702 ( 4.013 -16.968 13.289) 21.923 4.484 ( -8.854 8.816 -0.059) 12.495 4.484 ( 8.854 8.816 -0.059) 12.495 4.639 ( -6.620 -4.782 -1.000) 8.228 4.639 ( 6.620 -4.782 -1.000) 8.228 5.131 ( -0.869 18.360 -3.005) 18.625 5.131 ( 0.869 18.360 -3.005) 18.625 5.486 ( -6.010 -11.253 2.928) 13.089 5.486 ( 6.010 -11.253 2.928) 13.089 6.018 ( -16.178 2.872 3.907) 16.889 6.018 ( 16.178 2.872 3.907) 16.889 6.111 ( -10.088 -5.414 3.255) 11.903 6.111 ( 10.088 -5.414 3.255) 11.903 6.480 ( -6.230 1.629 -4.504) 7.859 6.480 ( 6.230 1.629 -4.504) 7.859 6.558 ( -3.594 -4.167 -5.711) 7.930 6.558 ( 3.594 -4.167 -5.711) 7.930 7.420 ( -10.320 16.447 -2.033) 19.523 7.420 ( 10.320 16.447 -2.033) 19.523 7.691 ( -2.091 -6.580 -3.843) 7.902 7.691 ( 2.091 -6.580 -3.843) 7.902 9.334 ( -13.446 9.242 -5.630) 17.260 9.334 ( 13.446 9.242 -5.630) 17.260 9.641 ( -16.116 -18.638 -6.145) 25.394 9.641 ( 16.116 -18.638 -6.145) 25.394 11.738 ( -1.732 1.412 -8.827) 9.105 11.738 ( 1.732 1.412 -8.827) 9.106 11.777 ( -2.496 -2.081 -7.374) 8.059 11.777 ( 2.496 -2.081 -7.374) 8.059 13.717 ( -1.845 14.274 1.552) 14.476 13.717 ( 1.845 14.274 1.552) 14.476 14.021 ( -1.391 -13.310 0.777) 13.405 14.021 ( 1.391 -13.310 0.777) 13.405 14.584 ( -3.273 3.048 4.286) 6.194 14.584 ( 3.273 3.048 4.286) 6.194 14.668 ( -4.125 -4.517 4.496) 7.591 14.668 ( 4.125 -4.517 4.496) 7.591 17.177 ( -0.893 0.822 0.064) 1.215 17.177 ( 0.893 0.822 0.064) 1.215 17.198 ( -1.057 -1.351 1.002) 1.987 17.198 ( 1.057 -1.351 1.002) 1.987 17.665 ( -1.990 3.594 -0.836) 4.192 17.665 ( 1.990 3.594 -0.836) 4.192 17.761 ( -1.198 -5.050 -0.395) 5.205 17.761 ( 1.198 -5.050 -0.395) 5.205 20.359 ( -4.544 7.379 -1.297) 8.762 20.359 ( 4.544 7.379 -1.297) 8.762 20.485 ( -4.992 -4.490 -0.410) 6.726 20.485 ( 4.992 -4.490 -0.410) 6.726 28.940 ( -4.457 2.822 0.032) 5.276 28.940 ( 4.457 2.822 0.032) 5.276 29.005 ( -4.164 -3.168 0.752) 5.286 29.005 ( 4.164 -3.168 0.752) 5.286 31.200 ( -20.580 8.269 -0.464) 22.184 31.200 ( 20.580 8.269 -0.464) 22.184 31.389 ( -20.431 -9.227 -4.471) 22.859 31.389 ( 20.431 -9.227 -4.471) 22.859 33.272 ( -6.772 7.828 14.634) 17.925 33.272 ( 6.772 7.828 14.634) 17.925 33.507 ( -9.433 -13.977 14.592) 22.300 33.507 ( 9.433 -13.977 14.592) 22.300 35.930 ( -5.008 6.960 -6.603) 10.823 35.930 ( 5.008 6.960 -6.603) 10.823 36.022 ( -3.842 -1.500 -5.396) 6.792 36.022 ( 3.842 -1.500 -5.396) 6.792 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 0.000 28.094) 28.094 2.193 ( 0.000 0.000 40.237) 40.237 3.003 ( 0.000 0.000 1.142) 1.142 3.199 ( 0.000 0.000 5.487) 5.487 3.327 ( 0.000 0.000 51.204) 51.204 3.660 ( 0.000 0.000 -5.164) 5.164 3.672 ( 0.000 0.000 10.278) 10.278 4.147 ( 0.000 0.000 34.402) 34.402 4.263 ( 0.000 0.000 5.144) 5.144 4.396 ( 0.000 0.000 -5.312) 5.312 4.675 ( 0.000 0.000 1.936) 1.936 5.015 ( 0.000 0.000 -3.812) 3.812 5.115 ( 0.000 0.000 4.508) 4.508 5.127 ( 0.000 0.000 5.916) 5.916 5.235 ( 0.000 0.000 15.049) 15.049 5.288 ( 0.000 0.000 -13.380) 13.380 5.660 ( 0.000 0.000 -6.839) 6.839 5.845 ( 0.000 0.000 10.559) 10.559 6.097 ( 0.000 0.000 6.095) 6.095 6.280 ( 0.000 0.000 -10.509) 10.509 6.405 ( 0.000 0.000 -13.630) 13.630 6.661 ( 0.000 0.000 -18.555) 18.555 6.839 ( 0.000 0.000 -13.554) 13.554 7.064 ( 0.000 0.000 -5.560) 5.560 7.148 ( 0.000 0.000 10.227) 10.227 7.150 ( 0.000 0.000 0.887) 0.887 7.669 ( 0.000 0.000 -22.764) 22.764 8.112 ( 0.000 0.000 -27.902) 27.902 8.686 ( 0.000 0.000 6.095) 6.095 8.980 ( 0.000 0.000 9.318) 9.318 9.646 ( 0.000 0.000 2.778) 2.778 10.335 ( 0.000 0.000 -7.485) 7.485 11.530 ( 0.000 0.000 -6.460) 6.460 11.639 ( 0.000 0.000 -16.087) 16.087 11.754 ( 0.000 0.000 -2.976) 2.976 11.840 ( 0.000 0.000 -9.234) 9.234 13.165 ( 0.000 0.000 4.361) 4.361 13.300 ( 0.000 0.000 -3.149) 3.149 14.338 ( 0.000 0.000 0.826) 0.826 14.460 ( 0.000 0.000 -1.464) 1.464 14.527 ( 0.000 0.000 4.862) 4.862 14.679 ( 0.000 0.000 1.019) 1.019 14.699 ( 0.000 0.000 6.680) 6.680 15.106 ( 0.000 0.000 -2.707) 2.707 17.162 ( 0.000 0.000 2.403) 2.403 17.206 ( 0.000 0.000 1.180) 1.180 17.310 ( 0.000 0.000 -0.101) 0.101 17.654 ( 0.000 0.000 -1.879) 1.879 17.733 ( 0.000 0.000 0.106) 0.106 17.842 ( 0.000 0.000 -0.669) 0.669 17.869 ( 0.000 0.000 0.376) 0.376 18.025 ( 0.000 0.000 -4.323) 4.323 19.720 ( 0.000 0.000 2.617) 2.617 19.988 ( 0.000 0.000 -3.115) 3.115 20.364 ( 0.000 0.000 7.506) 7.506 20.801 ( 0.000 0.000 0.606) 0.606 28.758 ( 0.000 0.000 -2.576) 2.576 28.891 ( 0.000 0.000 -1.945) 1.945 29.157 ( 0.000 0.000 5.123) 5.123 29.349 ( 0.000 0.000 3.321) 3.321 30.233 ( 0.000 0.000 8.829) 8.829 30.598 ( 0.000 0.000 3.081) 3.081 31.589 ( 0.000 0.000 -4.760) 4.760 32.119 ( 0.000 0.000 -10.685) 10.685 33.304 ( 0.000 0.000 18.046) 18.046 33.506 ( 0.000 0.000 6.494) 6.494 34.549 ( 0.000 0.000 6.626) 6.626 35.061 ( 0.000 0.000 -2.266) 2.266 35.167 ( 0.000 0.000 6.877) 6.877 35.266 ( 0.000 0.000 2.066) 2.066 35.760 ( 0.000 0.000 -4.110) 4.110 35.929 ( 0.000 0.000 -9.786) 9.786 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -0.051 0.000 32.774) 32.774 2.113 ( 10.827 0.000 24.564) 26.844 2.982 ( -2.359 0.000 1.657) 2.883 3.213 ( 1.410 0.000 5.447) 5.627 3.546 ( -5.735 0.000 4.036) 7.013 3.621 ( 18.047 0.000 43.892) 47.457 3.864 ( 12.782 0.000 -0.052) 12.782 4.042 ( -8.211 0.000 30.160) 31.258 4.343 ( 9.505 0.000 7.521) 12.121 4.424 ( 2.632 0.000 -5.484) 6.083 4.642 ( -2.811 0.000 1.603) 3.236 4.991 ( -2.570 0.000 -2.890) 3.868 5.053 ( -8.347 0.000 -2.926) 8.845 5.172 ( 4.355 0.000 2.441) 4.992 5.217 ( -2.297 0.000 10.111) 10.369 5.358 ( 7.847 0.000 -10.679) 13.252 5.611 ( 2.570 0.000 5.037) 5.655 5.918 ( -14.414 0.000 2.746) 14.673 6.056 ( 15.201 0.000 5.082) 16.028 6.256 ( -4.301 0.000 -10.622) 11.459 6.352 ( -0.639 0.000 -4.288) 4.335 6.547 ( -16.220 0.000 -17.411) 23.796 6.834 ( -6.626 0.000 -6.652) 9.389 6.927 ( -0.664 0.000 -2.074) 2.178 7.092 ( 1.058 0.000 2.179) 2.423 7.195 ( 0.100 0.000 0.945) 0.950 7.904 ( 4.891 0.000 -15.933) 16.667 7.914 ( -17.717 0.000 -20.771) 27.301 8.451 ( -4.514 0.000 7.131) 8.440 9.192 ( 10.759 0.000 1.969) 10.938 9.759 ( 11.642 0.000 -0.068) 11.643 10.441 ( 8.492 0.000 -11.758) 14.504 11.528 ( -0.329 0.000 -6.762) 6.770 11.619 ( -2.327 0.000 -15.594) 15.767 11.745 ( -0.598 0.000 -3.755) 3.803 11.839 ( -0.383 0.000 -7.149) 7.159 13.160 ( -0.380 0.000 3.769) 3.788 13.283 ( -1.742 0.000 -2.605) 3.133 14.287 ( -3.603 0.000 1.034) 3.749 14.405 ( -4.748 0.000 -1.338) 4.933 14.588 ( 4.847 0.000 4.232) 6.435 14.714 ( 2.582 0.000 1.347) 2.912 14.745 ( 4.702 0.000 6.134) 7.729 15.124 ( 1.231 0.000 -2.477) 2.766 17.152 ( -1.192 0.000 2.117) 2.429 17.177 ( -2.830 0.000 -0.047) 2.830 17.325 ( 1.117 0.000 1.136) 1.593 17.487 ( -10.990 0.000 2.554) 11.283 17.689 ( -2.895 0.000 -1.557) 3.287 17.883 ( -1.556 0.000 -3.320) 3.667 17.902 ( 3.864 0.000 0.176) 3.868 18.051 ( 2.494 0.000 -2.472) 3.512 19.734 ( 1.433 0.000 2.797) 3.143 19.967 ( -2.135 0.000 -1.347) 2.525 20.399 ( 3.472 0.000 5.647) 6.629 20.777 ( -2.488 0.000 0.514) 2.541 28.748 ( -0.442 0.000 -1.303) 1.376 28.922 ( 2.568 0.000 -2.489) 3.577 29.124 ( -3.047 0.000 4.157) 5.154 29.315 ( -2.790 0.000 3.040) 4.126 30.345 ( 11.116 0.000 8.010) 13.701 30.777 ( 16.517 0.000 -0.602) 16.528 31.512 ( -7.752 0.000 -3.871) 8.664 32.044 ( -7.611 0.000 -11.281) 13.608 33.331 ( 3.235 0.000 18.227) 18.512 33.546 ( 3.171 0.000 8.000) 8.605 34.569 ( 1.976 0.000 6.393) 6.691 34.969 ( -6.920 0.000 0.505) 6.938 35.164 ( -0.195 0.000 6.308) 6.311 35.366 ( 7.857 0.000 -0.888) 7.907 35.653 ( -9.992 0.000 -1.578) 10.116 35.898 ( -3.091 0.000 -9.339) 9.837 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 25.352 0.000 16.053) 30.007 2.387 ( 16.247 0.000 16.779) 23.356 2.895 ( -7.191 0.000 3.745) 8.107 3.253 ( 2.719 0.000 5.516) 6.149 3.429 ( -6.150 0.000 5.440) 8.211 3.553 ( -22.508 0.000 20.672) 30.561 4.030 ( 5.931 0.000 20.425) 21.269 4.120 ( 12.377 0.000 -3.140) 12.769 4.441 ( -3.259 0.000 -5.086) 6.041 4.506 ( -9.072 0.000 -3.843) 9.853 4.636 ( 4.680 0.000 0.434) 4.700 4.902 ( 8.908 0.000 9.435) 12.976 4.914 ( -5.422 0.000 -1.854) 5.730 5.235 ( 2.069 0.000 15.115) 15.256 5.301 ( 9.651 0.000 -3.779) 10.365 5.597 ( 16.200 0.000 -7.846) 18.000 5.691 ( -0.310 0.000 11.234) 11.238 5.813 ( 9.696 0.000 10.005) 13.933 5.982 ( -22.327 0.000 -9.777) 24.374 6.230 ( -0.745 0.000 3.410) 3.490 6.240 ( -12.814 0.000 -14.514) 19.362 6.455 ( 10.965 0.000 -1.323) 11.044 6.773 ( -10.576 0.000 4.598) 11.532 6.893 ( 9.554 0.000 -3.601) 10.210 7.130 ( -7.483 0.000 -6.441) 9.874 7.160 ( 4.677 0.000 1.523) 4.919 7.546 ( -17.708 0.000 -7.010) 19.046 7.605 ( -24.289 0.000 3.636) 24.559 8.732 ( 22.023 0.000 -9.530) 23.997 9.280 ( -2.246 0.000 -5.107) 5.579 10.072 ( 19.213 0.000 -6.304) 20.221 10.553 ( 0.722 0.000 -14.800) 14.818 11.513 ( -1.183 0.000 -7.537) 7.629 11.549 ( -4.130 0.000 -13.466) 14.085 11.746 ( 0.918 0.000 -3.656) 3.769 11.819 ( -1.703 0.000 -4.388) 4.707 13.160 ( 0.600 0.000 2.190) 2.271 13.238 ( -2.701 0.000 -1.330) 3.010 14.236 ( -1.321 0.000 0.515) 1.418 14.309 ( -4.548 0.000 -0.993) 4.655 14.679 ( 4.178 0.000 3.648) 5.546 14.750 ( 0.795 0.000 2.153) 2.295 14.871 ( 7.823 0.000 4.759) 9.157 15.120 ( -2.393 0.000 -0.604) 2.468 17.101 ( -3.329 0.000 0.533) 3.371 17.120 ( -2.583 0.000 -0.286) 2.599 17.329 ( -0.953 0.000 1.565) 1.833 17.360 ( -1.926 0.000 4.693) 5.073 17.657 ( 0.172 0.000 -2.516) 2.522 17.802 ( -5.437 0.000 -3.329) 6.375 17.984 ( 4.061 0.000 -0.348) 4.075 18.079 ( -0.051 0.000 -1.221) 1.222 19.776 ( 2.807 0.000 3.080) 4.167 19.911 ( -3.488 0.000 1.397) 3.758 20.490 ( 5.590 0.000 2.678) 6.199 20.707 ( -4.628 0.000 0.449) 4.650 28.762 ( 2.186 0.000 -0.121) 2.189 28.928 ( -3.505 0.000 -1.829) 3.954 29.100 ( 2.278 0.000 2.847) 3.646 29.255 ( -3.537 0.000 1.592) 3.879 30.628 ( 17.099 0.000 5.861) 18.075 31.139 ( 16.708 0.000 -3.921) 17.162 31.310 ( -10.395 0.000 -3.962) 11.124 31.837 ( -13.420 0.000 -11.746) 17.834 33.429 ( 6.256 0.000 17.839) 18.904 33.586 ( 0.210 0.000 11.638) 11.640 34.625 ( 3.841 0.000 5.693) 6.868 34.835 ( -6.710 0.000 2.863) 7.295 35.174 ( 1.765 0.000 4.980) 5.284 35.431 ( -11.434 0.000 2.024) 11.612 35.527 ( 8.396 0.000 -3.758) 9.199 35.812 ( -5.705 0.000 -8.067) 9.881 ======================= Grid point 150 (52/96) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -13.884 0.000 8.950) 16.519 2.690 ( 13.884 0.000 8.950) 16.519 2.975 ( -34.192 0.000 10.305) 35.711 2.975 ( 34.192 0.000 10.305) 35.711 3.322 ( -4.610 0.000 5.758) 7.376 3.322 ( 4.610 0.000 5.758) 7.376 4.209 ( -13.472 0.000 2.611) 13.723 4.209 ( 13.472 0.000 2.611) 13.723 4.319 ( -8.338 0.000 -4.101) 9.292 4.319 ( 8.338 0.000 -4.101) 9.292 4.781 ( -8.137 0.000 -0.994) 8.197 4.781 ( 8.137 0.000 -0.994) 8.197 5.155 ( -10.221 0.000 17.228) 20.032 5.155 ( 10.221 0.000 17.228) 20.032 5.567 ( -17.897 0.000 -8.568) 19.842 5.567 ( 17.897 0.000 -8.568) 19.842 5.847 ( -10.316 0.000 11.303) 15.303 5.847 ( 10.316 0.000 11.303) 15.303 5.947 ( -17.511 0.000 -10.208) 20.269 5.947 ( 17.511 0.000 -10.208) 20.269 6.327 ( -15.154 0.000 9.767) 18.029 6.327 ( 15.154 0.000 9.767) 18.029 6.891 ( -15.800 0.000 -11.160) 19.344 6.891 ( 15.800 0.000 -11.160) 19.344 7.171 ( -18.998 0.000 2.761) 19.197 7.171 ( 18.998 0.000 2.761) 19.197 7.289 ( -9.161 0.000 2.621) 9.528 7.289 ( 9.161 0.000 2.621) 9.528 9.107 ( -15.151 0.000 -9.819) 18.055 9.107 ( 15.151 0.000 -9.819) 18.055 10.419 ( -14.261 0.000 -12.032) 18.658 10.419 ( 14.261 0.000 -12.032) 18.658 11.500 ( -0.566 0.000 -10.033) 10.049 11.500 ( 0.566 0.000 -10.033) 10.049 11.778 ( -2.203 0.000 -3.251) 3.927 11.778 ( 2.203 0.000 -3.251) 3.927 13.188 ( -2.216 0.000 0.300) 2.236 13.188 ( 2.216 0.000 0.300) 2.236 14.243 ( -2.061 0.000 -0.321) 2.086 14.243 ( 2.061 0.000 -0.321) 2.086 14.739 ( -1.917 0.000 2.989) 3.551 14.739 ( 1.917 0.000 2.989) 3.551 15.023 ( -7.160 0.000 2.507) 7.587 15.023 ( 7.160 0.000 2.507) 7.587 17.079 ( -1.084 0.000 -0.554) 1.218 17.079 ( 1.084 0.000 -0.554) 1.218 17.333 ( -1.244 0.000 3.186) 3.420 17.333 ( 1.244 0.000 3.186) 3.420 17.703 ( -4.257 0.000 -2.863) 5.130 17.703 ( 4.257 0.000 -2.863) 5.130 18.051 ( -2.654 0.000 -0.632) 2.728 18.051 ( 2.654 0.000 -0.632) 2.728 19.839 ( -3.662 0.000 2.844) 4.637 19.839 ( 3.662 0.000 2.844) 4.637 20.603 ( -5.871 0.000 0.957) 5.948 20.603 ( 5.871 0.000 0.957) 5.948 28.833 ( -4.886 0.000 -0.117) 4.888 28.833 ( 4.886 0.000 -0.117) 4.888 29.176 ( -4.460 0.000 1.172) 4.611 29.176 ( 4.460 0.000 1.172) 4.611 30.971 ( -17.463 0.000 3.158) 17.746 30.971 ( 17.463 0.000 3.158) 17.746 31.537 ( -17.385 0.000 -11.132) 20.644 31.537 ( 17.385 0.000 -11.132) 20.644 33.542 ( -4.634 0.000 15.596) 16.270 33.542 ( 4.634 0.000 15.596) 16.270 34.716 ( -5.476 0.000 4.528) 7.106 34.716 ( 5.476 0.000 4.528) 7.106 35.252 ( -6.655 0.000 3.702) 7.615 35.252 ( 6.655 0.000 3.702) 7.615 35.683 ( -7.525 0.000 -6.147) 9.716 35.683 ( 7.525 0.000 -6.147) 9.716 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.000 12.774 27.629) 30.439 2.253 ( 0.000 7.005 32.506) 33.252 3.230 ( 0.000 18.025 5.001) 18.706 3.317 ( 0.000 6.773 14.391) 15.905 3.455 ( 0.000 12.876 27.483) 30.350 3.738 ( 0.000 6.114 -4.724) 7.726 3.758 ( 0.000 8.797 17.076) 19.209 4.119 ( 0.000 -1.016 26.043) 26.063 4.331 ( 0.000 5.589 3.810) 6.764 4.426 ( 0.000 1.778 -0.781) 1.942 4.664 ( 0.000 -0.957 5.869) 5.946 4.984 ( 0.000 -3.316 0.254) 3.326 5.007 ( 0.000 -6.292 4.720) 7.866 5.114 ( 0.000 -9.447 4.459) 10.446 5.158 ( 0.000 1.153 5.352) 5.475 5.377 ( 0.000 5.443 -7.952) 9.636 5.603 ( 0.000 -2.344 -8.132) 8.463 5.778 ( 0.000 -6.044 9.184) 10.994 6.108 ( 0.000 0.456 1.763) 1.821 6.287 ( 0.000 0.599 -6.751) 6.777 6.387 ( 0.000 -1.418 -12.552) 12.632 6.727 ( 0.000 4.177 -15.253) 15.814 6.732 ( 0.000 -9.085 -15.711) 18.149 6.918 ( 0.000 -9.553 -0.757) 9.583 7.092 ( 0.000 -2.893 1.057) 3.080 7.197 ( 0.000 1.257 7.573) 7.677 7.677 ( 0.000 -31.390 -18.534) 36.454 7.777 ( 0.000 5.632 -19.798) 20.584 8.731 ( 0.000 5.061 7.046) 8.675 9.251 ( 0.000 15.915 1.790) 16.015 9.672 ( 0.000 3.435 1.763) 3.861 10.314 ( 0.000 -1.913 -8.081) 8.304 11.473 ( 0.000 -4.046 -5.232) 6.615 11.586 ( 0.000 -4.540 -15.605) 16.252 11.796 ( 0.000 2.639 -5.316) 5.935 11.828 ( 0.000 -0.983 -9.379) 9.430 13.260 ( 0.000 8.331 3.416) 9.004 13.334 ( 0.000 3.280 -2.125) 3.909 14.338 ( 0.000 -0.207 0.568) 0.604 14.408 ( 0.000 -4.358 -0.327) 4.370 14.524 ( 0.000 -0.294 4.835) 4.844 14.650 ( 0.000 -3.321 1.675) 3.719 14.721 ( 0.000 1.634 5.347) 5.591 14.987 ( 0.000 -9.226 -0.009) 9.226 17.168 ( 0.000 0.556 2.320) 2.386 17.203 ( 0.000 -0.462 1.664) 1.727 17.296 ( 0.000 -1.303 -0.265) 1.330 17.514 ( 0.000 -9.589 0.113) 9.590 17.726 ( 0.000 -0.258 1.840) 1.858 17.832 ( 0.000 -0.876 -0.800) 1.186 17.853 ( 0.000 -1.460 0.379) 1.508 17.959 ( 0.000 -5.259 -3.876) 6.533 19.957 ( 0.000 17.483 -3.167) 17.767 20.015 ( 0.000 2.452 -2.950) 3.836 20.362 ( 0.000 -0.354 6.645) 6.654 20.788 ( 0.000 -1.226 0.297) 1.261 28.752 ( 0.000 -0.491 -1.995) 2.055 28.876 ( 0.000 -1.347 -1.778) 2.230 29.169 ( 0.000 1.084 4.758) 4.880 29.340 ( 0.000 -0.762 3.042) 3.136 30.239 ( 0.000 0.671 8.460) 8.487 30.572 ( 0.000 -2.348 3.253) 4.012 31.608 ( 0.000 1.828 -5.025) 5.347 32.086 ( 0.000 -2.977 -10.994) 11.390 33.334 ( 0.000 2.914 17.731) 17.968 33.455 ( 0.000 -4.024 8.158) 9.096 34.285 ( 0.000 -19.239 15.109) 24.462 34.931 ( 0.000 -13.342 10.485) 16.969 35.203 ( 0.000 5.511 -6.593) 8.593 35.295 ( 0.000 3.393 0.619) 3.449 35.970 ( 0.000 13.775 -9.917) 16.974 36.015 ( 0.000 6.561 -8.555) 10.781 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.17 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.714 7.209 28.716) 29.616 2.288 ( 9.959 13.904 23.751) 29.268 3.114 ( -5.689 10.058 6.772) 13.394 3.358 ( 1.095 11.722 4.266) 12.522 3.543 ( -3.879 2.072 6.385) 7.753 3.766 ( 8.823 11.401 30.226) 33.487 3.892 ( 7.772 2.690 1.994) 8.463 4.062 ( -3.919 1.943 27.463) 27.809 4.403 ( 6.709 3.403 -0.821) 7.567 4.470 ( 5.464 4.164 2.932) 7.470 4.612 ( -4.645 -2.879 3.407) 6.440 4.870 ( -6.106 -7.648 -3.165) 10.286 4.979 ( -5.006 -7.985 7.815) 12.244 5.098 ( 3.720 -3.336 -0.628) 5.036 5.315 ( -2.374 7.714 -1.583) 8.224 5.437 ( 6.799 2.767 -5.285) 9.045 5.517 ( 6.316 -4.091 3.131) 8.150 5.892 ( -13.075 -2.676 0.012) 13.346 5.998 ( 14.429 -4.749 3.444) 15.576 6.261 ( -1.898 0.093 -8.690) 8.895 6.351 ( -0.647 0.380 -2.740) 2.841 6.642 ( -15.447 5.847 -11.463) 20.105 6.753 ( 0.776 -3.947 -7.440) 8.458 6.946 ( -3.404 0.326 -1.296) 3.656 7.040 ( 4.847 -5.233 2.400) 7.526 7.229 ( -1.599 1.027 -2.918) 3.482 7.532 ( -8.153 -23.120 -12.714) 27.616 7.912 ( 4.663 -4.746 -16.516) 17.805 8.629 ( -5.528 12.060 5.757) 14.462 9.303 ( 3.649 9.042 -0.058) 9.750 9.748 ( 8.547 -0.870 -0.127) 8.592 10.384 ( 5.131 -5.034 -11.484) 13.549 11.473 ( 0.136 -3.964 -5.917) 7.123 11.572 ( -1.461 -3.703 -14.497) 15.034 11.776 ( -1.630 1.362 -6.130) 6.488 11.831 ( -0.322 -0.392 -7.439) 7.457 13.250 ( -0.789 7.843 2.975) 8.425 13.326 ( -0.925 4.222 -1.514) 4.580 14.292 ( -3.271 0.175 0.667) 3.343 14.375 ( -3.283 -2.854 -0.925) 4.448 14.580 ( 4.485 -0.720 4.264) 6.230 14.661 ( 1.672 -3.504 3.095) 4.965 14.764 ( 3.799 -0.028 4.784) 6.109 15.018 ( 2.471 -8.234 -0.262) 8.601 17.158 ( -1.113 0.536 2.118) 2.452 17.182 ( -2.162 0.330 0.146) 2.192 17.308 ( 1.101 -1.626 1.294) 2.352 17.426 ( -6.915 -4.934 2.381) 8.822 17.671 ( -3.349 -0.975 -0.036) 3.488 17.834 ( -2.021 -3.505 -2.292) 4.650 17.880 ( 2.163 -1.805 0.236) 2.827 17.980 ( 2.070 -5.393 -1.921) 6.088 19.944 ( -0.991 15.645 -2.116) 15.819 20.003 ( -1.208 3.438 -1.330) 3.879 20.396 ( 3.372 -0.459 4.966) 6.020 20.765 ( -2.413 -1.169 0.209) 2.689 28.749 ( 0.109 0.095 -1.089) 1.099 28.909 ( 2.821 -1.265 -2.208) 3.799 29.131 ( -3.567 0.627 3.804) 5.253 29.302 ( -3.254 -1.210 2.851) 4.493 30.358 ( 11.640 1.210 7.621) 13.966 30.746 ( 16.215 -2.716 0.019) 16.441 31.534 ( -7.527 2.068 -4.070) 8.803 32.013 ( -7.502 -2.866 -11.301) 13.864 33.342 ( 1.744 1.085 17.650) 17.769 33.501 ( 3.304 -3.242 9.271) 10.362 34.308 ( 2.563 -19.085 14.532) 24.125 34.853 ( -7.063 -12.515 10.179) 17.610 35.195 ( 0.694 5.655 -4.557) 7.296 35.379 ( 6.184 2.864 -1.987) 7.099 35.878 ( -8.167 14.155 -7.770) 18.095 35.988 ( -3.012 6.782 -7.625) 10.640 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.33 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 18.849 2.765 18.335) 26.441 2.564 ( 17.314 12.676 14.435) 25.862 2.990 ( -8.198 7.093 5.613) 12.208 3.373 ( -12.467 1.443 10.730) 16.512 3.390 ( 1.217 8.316 3.985) 9.301 3.678 ( -13.855 8.548 11.729) 20.065 4.045 ( 7.614 -5.430 -0.962) 9.401 4.104 ( 6.529 6.882 17.471) 19.880 4.372 ( -7.880 -7.451 -2.401) 11.108 4.579 ( -8.687 -1.223 -9.489) 12.923 4.596 ( 2.462 2.418 4.492) 5.664 4.826 ( -6.820 -4.770 1.167) 8.404 4.833 ( 8.538 -5.496 5.521) 11.558 5.146 ( -0.503 -7.441 13.575) 15.489 5.329 ( 11.423 2.729 -1.806) 11.882 5.665 ( 10.415 2.354 1.455) 10.776 5.728 ( 11.888 4.878 4.554) 13.633 5.800 ( 5.875 2.680 1.812) 6.707 6.100 ( -11.361 6.221 -6.209) 14.364 6.244 ( -3.107 1.413 -2.144) 4.031 6.318 ( -6.860 5.782 -1.415) 9.083 6.422 ( 9.157 -2.803 -4.497) 10.579 6.746 ( -9.764 -3.478 4.251) 11.204 6.872 ( 4.329 -0.729 -4.503) 6.289 7.085 ( -2.915 -7.488 0.084) 8.035 7.102 ( -6.605 -3.208 -7.777) 10.695 7.420 ( -4.137 -0.361 -1.156) 4.311 7.767 ( -17.426 4.573 -3.220) 18.302 8.752 ( 16.962 2.938 -6.017) 18.235 9.308 ( -4.692 2.431 -5.312) 7.493 9.997 ( 15.768 -6.964 -4.949) 17.934 10.428 ( -2.030 -11.010 -13.466) 17.512 11.481 ( 0.674 -2.290 -7.597) 7.963 11.534 ( -2.179 -1.127 -12.534) 12.772 11.746 ( -0.988 -0.657 -5.065) 5.203 11.805 ( -2.276 -1.038 -5.301) 5.861 13.242 ( 0.214 7.301 1.994) 7.571 13.298 ( -1.868 5.709 -0.431) 6.022 14.244 ( -1.309 0.485 0.095) 1.399 14.302 ( -3.752 -1.046 -1.140) 4.058 14.663 ( 3.653 -1.386 3.944) 5.552 14.703 ( 1.793 -3.683 3.400) 5.323 14.860 ( 5.997 -1.729 4.532) 7.713 15.043 ( -0.754 -6.368 0.663) 6.446 17.119 ( -2.598 1.521 0.709) 3.093 17.133 ( -2.224 1.137 -0.295) 2.515 17.322 ( -0.364 -0.807 1.622) 1.848 17.336 ( -1.275 -2.129 4.498) 5.137 17.629 ( -0.515 -1.937 -1.560) 2.540 17.752 ( -5.283 -4.101 -2.650) 7.194 17.936 ( 3.038 -3.682 0.104) 4.775 18.006 ( 0.169 -5.618 -0.758) 5.671 19.931 ( -0.133 12.075 -0.121) 12.077 19.972 ( -1.781 5.459 0.722) 5.788 20.484 ( 5.454 -0.673 2.293) 5.955 20.696 ( -4.530 -1.051 0.183) 4.654 28.772 ( 2.492 0.875 -0.149) 2.645 28.931 ( -2.434 0.275 -1.922) 3.114 29.086 ( 1.112 -1.205 2.755) 3.206 29.233 ( -3.814 -1.931 1.491) 4.527 30.651 ( 17.556 2.089 5.475) 18.508 31.111 ( 18.744 -2.599 -4.176) 19.379 31.330 ( -12.252 2.053 -2.883) 12.753 31.807 ( -13.440 -2.733 -11.246) 17.736 33.410 ( 4.777 -1.278 17.145) 17.844 33.540 ( 0.107 -3.258 11.866) 12.306 34.387 ( 5.642 -17.975 12.926) 22.848 34.692 ( -8.978 -13.265 10.383) 19.088 35.242 ( 4.234 7.536 -4.079) 9.558 35.459 ( -0.410 4.731 -5.337) 7.144 35.736 ( -3.187 12.707 -3.104) 13.463 35.903 ( -5.516 6.576 -5.972) 10.456 ======================= Grid point 157 (56/96) ======================= q-point: (-0.50 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -16.509 3.476 10.470) 19.856 2.755 ( 16.509 3.476 10.470) 19.856 2.973 ( -24.572 3.313 9.677) 26.616 2.973 ( 24.572 3.313 9.677) 26.616 3.469 ( -6.634 11.002 4.889) 13.746 3.469 ( 6.634 11.002 4.889) 13.746 4.184 ( -6.030 -5.827 -0.436) 8.397 4.184 ( 6.030 -5.827 -0.436) 8.397 4.309 ( -10.329 2.058 -1.860) 10.695 4.309 ( 10.329 2.058 -1.860) 10.695 4.704 ( -5.922 -3.885 2.711) 7.584 4.704 ( 5.922 -3.885 2.711) 7.584 5.041 ( -9.190 -9.338 11.793) 17.628 5.041 ( 9.190 -9.338 11.793) 17.628 5.629 ( -16.544 4.882 -4.117) 17.733 5.629 ( 16.544 4.882 -4.117) 17.733 5.886 ( -6.686 3.639 7.690) 10.821 5.886 ( 6.686 3.639 7.690) 10.821 6.073 ( -9.564 8.307 -7.342) 14.641 6.073 ( 9.564 8.307 -7.342) 14.641 6.365 ( -13.483 2.740 7.619) 15.728 6.365 ( 13.483 2.740 7.619) 15.728 6.804 ( -14.555 -7.417 -8.554) 18.440 6.804 ( 14.555 -7.417 -8.554) 18.440 7.053 ( -5.352 -4.524 0.839) 7.058 7.053 ( 5.352 -4.524 0.839) 7.058 7.452 ( -10.402 9.363 1.400) 14.065 7.452 ( 10.402 9.363 1.400) 14.065 9.102 ( -16.038 -0.292 -9.217) 18.500 9.102 ( 16.038 -0.292 -9.217) 18.500 10.286 ( -12.323 -11.948 -9.916) 19.823 10.286 ( 12.323 -11.948 -9.916) 19.823 11.499 ( -1.303 0.106 -10.308) 10.391 11.499 ( 1.303 0.106 -10.308) 10.391 11.757 ( -2.079 -1.967 -4.148) 5.039 11.757 ( 2.079 -1.967 -4.148) 5.039 13.261 ( -1.666 6.746 0.748) 6.989 13.261 ( 1.666 6.746 0.748) 6.989 14.247 ( -1.613 0.036 -0.663) 1.745 14.247 ( 1.613 0.036 -0.663) 1.745 14.711 ( -1.080 -2.421 3.637) 4.500 14.711 ( 1.080 -2.421 3.637) 4.500 14.979 ( -5.494 -4.047 2.973) 7.444 14.979 ( 5.494 -4.047 2.973) 7.444 17.100 ( -0.792 1.825 -0.361) 2.022 17.100 ( 0.792 1.825 -0.361) 2.022 17.323 ( -0.726 -1.023 3.162) 3.402 17.323 ( 0.726 -1.023 3.162) 3.402 17.660 ( -3.586 -3.322 -2.117) 5.327 17.660 ( 3.586 -3.322 -2.117) 5.327 17.986 ( -1.998 -5.046 -0.236) 5.432 17.986 ( 1.998 -5.046 -0.236) 5.432 19.942 ( -1.194 8.418 1.085) 8.571 19.942 ( 1.194 8.418 1.085) 8.571 20.595 ( -5.748 -0.889 0.708) 5.859 20.595 ( 5.748 -0.889 0.708) 5.859 28.845 ( -4.835 1.107 -0.159) 4.963 28.845 ( 4.835 1.107 -0.159) 4.963 29.153 ( -4.367 -2.126 0.998) 4.958 29.153 ( 4.367 -2.126 0.998) 4.958 31.000 ( -17.602 2.624 2.777) 18.012 31.000 ( 17.602 2.624 2.777) 18.012 31.504 ( -17.561 -2.925 -10.158) 20.497 31.504 ( 17.561 -2.925 -10.158) 20.497 33.500 ( -3.899 -2.933 15.073) 15.843 33.500 ( 3.899 -2.933 15.073) 15.843 34.523 ( -8.171 -15.624 11.286) 20.934 34.523 ( 8.171 -15.624 11.286) 20.934 35.357 ( -7.200 9.090 -4.833) 12.563 35.357 ( 7.200 9.090 -4.833) 12.563 35.787 ( -5.843 7.336 -3.793) 10.117 35.787 ( 5.843 7.336 -3.793) 10.117 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 16.961 25.167) 30.349 2.517 ( 0.000 16.872 20.590) 26.620 3.421 ( 0.000 3.675 11.471) 12.045 3.534 ( 0.000 3.952 10.672) 11.380 3.781 ( 0.000 14.222 10.842) 17.883 3.885 ( 0.000 6.169 -1.429) 6.333 4.045 ( 0.000 15.875 23.134) 28.057 4.167 ( 0.000 7.619 14.335) 16.234 4.419 ( 0.000 -1.027 4.233) 4.356 4.482 ( 0.000 5.038 1.315) 5.207 4.629 ( 0.000 -2.370 15.202) 15.385 4.831 ( 0.000 -10.246 -2.306) 10.502 4.912 ( 0.000 -1.923 1.574) 2.485 4.926 ( 0.000 -2.251 7.012) 7.364 5.231 ( 0.000 7.426 3.470) 8.197 5.519 ( 0.000 6.110 -8.898) 10.794 5.605 ( 0.000 -9.442 5.241) 10.799 5.650 ( 0.000 7.475 -10.516) 12.902 6.093 ( 0.000 -2.034 -4.370) 4.820 6.288 ( 0.000 -1.657 -2.078) 2.658 6.295 ( 0.000 -9.378 -10.327) 13.949 6.535 ( 0.000 -7.105 -15.316) 16.884 6.687 ( 0.000 -8.094 -3.572) 8.847 6.744 ( 0.000 -15.067 -6.788) 16.525 7.025 ( 0.000 -15.935 -5.777) 16.950 7.047 ( 0.000 -1.791 0.144) 1.797 7.232 ( 0.000 1.125 2.695) 2.920 7.778 ( 0.000 -5.991 -11.214) 12.714 8.927 ( 0.000 12.685 5.013) 13.640 9.452 ( 0.000 2.669 0.921) 2.824 9.835 ( 0.000 10.538 -2.523) 10.836 10.257 ( 0.000 -3.354 -9.295) 9.882 11.396 ( 0.000 -2.761 -4.705) 5.455 11.473 ( 0.000 -5.295 -13.230) 14.250 11.808 ( 0.000 -0.666 -10.133) 10.155 11.833 ( 0.000 0.561 -8.387) 8.406 13.444 ( 0.000 6.992 0.018) 6.992 13.484 ( 0.000 11.554 1.738) 11.684 14.289 ( 0.000 -6.584 1.226) 6.697 14.293 ( 0.000 -5.865 0.475) 5.884 14.514 ( 0.000 -0.743 4.638) 4.697 14.524 ( 0.000 -6.081 5.642) 8.295 14.753 ( 0.000 1.222 3.326) 3.543 14.834 ( 0.000 -3.805 0.483) 3.836 17.180 ( 0.000 0.355 2.175) 2.204 17.181 ( 0.000 -1.347 2.837) 3.141 17.264 ( 0.000 -1.227 -0.560) 1.348 17.363 ( 0.000 -4.163 0.270) 4.172 17.720 ( 0.000 -0.373 2.076) 2.109 17.800 ( 0.000 -2.303 -0.544) 2.367 17.818 ( 0.000 -1.354 -0.076) 1.357 17.843 ( 0.000 -4.585 -2.765) 5.354 20.088 ( 0.000 4.168 -2.324) 4.772 20.300 ( 0.000 10.264 -8.414) 13.272 20.350 ( 0.000 1.793 6.096) 6.354 20.748 ( 0.000 -2.581 -0.677) 2.668 28.745 ( 0.000 -0.005 -1.168) 1.168 28.837 ( 0.000 -2.151 -1.438) 2.588 29.201 ( 0.000 1.842 3.926) 4.337 29.318 ( 0.000 -1.302 2.584) 2.894 30.266 ( 0.000 1.955 7.417) 7.670 30.502 ( 0.000 -3.995 3.777) 5.497 31.666 ( 0.000 3.586 -6.014) 7.002 31.998 ( 0.000 -5.103 -11.111) 12.227 33.374 ( 0.000 -2.735 12.250) 12.552 33.425 ( 0.000 4.758 18.080) 18.696 33.914 ( 0.000 -12.585 19.194) 22.951 34.573 ( 0.000 -18.653 11.969) 22.163 35.347 ( 0.000 6.733 -7.128) 9.805 35.391 ( 0.000 4.690 -1.210) 4.844 36.157 ( 0.000 6.069 -8.355) 10.326 36.206 ( 0.000 7.493 -12.930) 14.944 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.17 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -2.522 13.434 22.813) 26.594 2.653 ( 9.950 18.751 18.869) 28.401 3.294 ( -8.778 6.030 8.576) 13.674 3.507 ( -4.172 -1.154 7.594) 8.741 3.738 ( -3.584 13.996 7.804) 16.421 3.917 ( -0.796 -2.762 3.995) 4.921 4.033 ( -6.745 9.876 11.186) 16.375 4.174 ( 5.426 10.169 24.565) 27.135 4.412 ( -7.626 -1.410 1.965) 8.000 4.504 ( 3.920 -1.865 0.414) 4.361 4.629 ( 2.049 6.376 8.334) 10.692 4.709 ( -2.799 -4.062 -2.000) 5.323 4.867 ( -1.109 -1.601 11.116) 11.285 5.068 ( 7.050 0.175 -0.736) 7.090 5.278 ( -8.324 -9.491 -2.117) 12.800 5.472 ( 5.536 2.035 -0.163) 5.900 5.654 ( 7.660 9.533 -4.935) 13.187 5.833 ( -1.301 0.040 -2.507) 2.825 5.916 ( 14.233 0.032 -0.621) 14.247 6.237 ( 0.065 -3.072 -7.000) 7.644 6.374 ( -0.005 1.635 -1.348) 2.119 6.638 ( -5.288 -5.957 -3.904) 8.871 6.730 ( 0.794 -10.691 -6.978) 12.791 6.832 ( -12.575 -6.352 0.251) 14.091 6.908 ( 14.961 -6.165 -11.980) 20.134 7.087 ( 2.298 -7.080 -8.237) 11.102 7.257 ( 5.749 -1.898 3.310) 6.900 7.773 ( -1.264 -7.700 -8.578) 11.596 8.902 ( -2.213 13.443 4.986) 14.507 9.487 ( 1.463 5.085 -1.971) 5.646 9.744 ( -5.584 2.140 -1.429) 6.148 10.245 ( -2.512 -7.546 -11.258) 13.784 11.399 ( 0.906 -2.485 -6.071) 6.622 11.483 ( 0.913 -4.122 -11.418) 12.173 11.778 ( -2.624 -0.472 -8.998) 9.385 11.827 ( -1.215 -0.458 -8.613) 8.710 13.438 ( -0.299 8.699 0.856) 8.746 13.491 ( 0.304 11.168 1.322) 11.250 14.264 ( -2.219 -4.128 0.220) 4.692 14.276 ( -1.501 -6.680 0.636) 6.877 14.545 ( 2.699 -3.589 5.134) 6.821 14.573 ( 4.390 -2.834 4.501) 6.897 14.742 ( 0.253 -0.803 4.321) 4.402 14.874 ( 2.715 -4.240 0.626) 5.074 17.170 ( -0.644 0.396 2.402) 2.518 17.183 ( -0.432 -0.264 1.037) 1.154 17.264 ( 0.118 -1.869 1.029) 2.136 17.336 ( -2.357 -2.964 0.943) 3.902 17.664 ( -3.766 0.366 1.135) 3.950 17.767 ( -4.004 -2.326 -1.970) 5.033 17.828 ( 1.200 -2.964 -0.041) 3.198 17.865 ( 1.402 -4.670 -0.973) 4.973 20.091 ( 0.392 4.961 -1.771) 5.282 20.275 ( -2.808 12.994 -6.053) 14.607 20.373 ( 2.836 -1.564 4.206) 5.308 20.724 ( -2.402 -2.661 -0.707) 3.654 28.756 ( 1.302 0.660 -0.801) 1.665 28.871 ( 3.148 -2.173 -1.639) 4.162 29.152 ( -4.564 1.333 3.031) 5.638 29.268 ( -4.290 -1.813 2.426) 5.251 30.399 ( 12.831 2.663 6.538) 14.645 30.668 ( 15.580 -4.403 1.472) 16.257 31.598 ( -7.019 3.862 -4.955) 9.420 31.928 ( -7.185 -4.897 -10.761) 13.835 33.360 ( 0.257 -0.041 15.765) 15.768 33.478 ( 3.308 2.230 13.652) 14.223 33.925 ( 1.509 -14.297 18.987) 23.816 34.504 ( -6.694 -18.398 12.110) 23.020 35.360 ( 2.566 8.138 -5.982) 10.421 35.467 ( 6.181 4.337 -2.950) 8.107 36.109 ( -5.460 6.778 -9.683) 13.019 36.141 ( -5.539 6.828 -9.069) 12.632 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.33 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 11.722 8.361 17.436) 22.612 2.882 ( 12.960 15.795 12.034) 23.712 3.104 ( -11.534 2.771 5.391) 13.030 3.398 ( -8.128 3.400 11.075) 14.152 3.639 ( -6.170 6.373 8.457) 12.256 3.763 ( -12.992 -5.031 3.711) 14.418 3.946 ( 1.839 -0.668 2.670) 3.310 4.212 ( -10.320 -3.193 3.207) 11.268 4.301 ( 5.747 7.256 14.077) 16.847 4.527 ( 0.578 4.458 -3.093) 5.456 4.685 ( -2.473 1.540 3.839) 4.819 4.731 ( 5.486 -0.232 -1.192) 5.619 4.818 ( -9.622 3.668 -1.395) 10.391 4.931 ( -5.148 -10.731 12.026) 16.920 5.406 ( 17.190 2.669 3.813) 17.809 5.687 ( 9.034 -3.772 0.445) 9.800 5.772 ( 9.385 1.407 3.757) 10.206 5.958 ( 10.306 8.587 -3.772) 13.935 6.197 ( -1.493 2.001 -7.978) 8.360 6.275 ( 3.293 2.905 1.325) 4.587 6.350 ( 7.020 -1.325 -0.596) 7.168 6.452 ( -10.515 3.876 -1.154) 11.265 6.587 ( -11.903 -11.311 -4.936) 17.146 6.735 ( 0.010 -8.916 -2.131) 9.167 6.996 ( 2.078 -2.111 -4.488) 5.377 7.143 ( 0.398 9.859 -0.236) 9.870 7.471 ( 8.563 1.199 -3.063) 9.173 7.731 ( -2.566 -6.647 -7.084) 10.047 8.899 ( 4.545 10.563 0.295) 11.503 9.384 ( -11.175 4.983 -5.912) 13.589 9.775 ( 7.421 -13.515 -1.729) 15.515 10.134 ( -8.599 -15.165 -11.082) 20.657 11.444 ( 3.589 -0.798 -8.268) 9.049 11.508 ( 1.693 -1.226 -9.946) 10.163 11.715 ( -3.365 -1.577 -7.753) 8.598 11.776 ( -3.902 -1.772 -7.396) 8.548 13.442 ( 0.791 10.829 1.536) 10.966 13.487 ( -0.728 11.686 1.318) 11.782 14.225 ( -1.530 -3.443 -0.354) 3.784 14.238 ( -1.995 -5.624 -0.467) 5.985 14.610 ( 3.544 -3.082 5.089) 6.925 14.646 ( 2.433 -0.892 4.270) 4.995 14.785 ( 3.916 -4.442 4.830) 7.642 14.904 ( -0.087 -5.716 1.663) 5.953 17.155 ( -0.921 1.588 1.320) 2.260 17.163 ( -1.342 1.369 -0.145) 1.922 17.272 ( 0.645 -2.898 3.067) 4.269 17.297 ( -1.269 -1.963 1.851) 2.981 17.608 ( -1.663 0.432 -0.143) 1.724 17.677 ( -4.661 -1.723 -1.761) 5.272 17.849 ( 1.079 -4.316 -0.269) 4.457 17.880 ( 0.019 -5.732 -0.484) 5.752 20.106 ( 1.312 7.010 -0.978) 7.199 20.207 ( -3.690 11.964 -2.525) 12.772 20.453 ( 5.096 -2.411 1.404) 5.810 20.657 ( -4.463 -2.788 -0.570) 5.293 28.800 ( 3.306 1.756 -0.263) 3.752 28.931 ( 1.495 -0.573 -1.856) 2.451 29.061 ( -2.995 -0.682 2.296) 3.835 29.179 ( -4.652 -2.885 1.213) 5.607 30.715 ( 18.619 3.840 4.323) 19.496 31.031 ( 20.194 -4.665 -2.842) 20.919 31.398 ( -13.354 4.183 -2.565) 14.227 31.726 ( -13.406 -4.611 -9.542) 17.089 33.396 ( 3.216 0.362 15.954) 16.279 33.511 ( -0.435 1.710 12.670) 12.793 33.993 ( 5.838 -17.205 17.161) 24.992 34.338 ( -9.851 -18.184 12.758) 24.300 35.451 ( 6.558 10.366 -6.368) 13.820 35.589 ( 5.210 6.175 -5.226) 9.622 35.959 ( -7.796 7.469 -7.279) 13.021 36.028 ( -6.403 4.343 -5.231) 9.339 ======================= Grid point 164 (60/96) ======================= q-point: (-0.50 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -18.581 3.157 10.983) 21.814 2.805 ( 18.581 3.157 10.983) 21.814 3.152 ( -14.554 10.772 8.019) 19.803 3.152 ( 14.554 10.772 8.019) 19.803 3.601 ( -3.322 -3.860 5.029) 7.157 3.601 ( 3.322 -3.860 5.029) 7.157 4.039 ( -7.114 -2.294 1.948) 7.724 4.039 ( 7.114 -2.294 1.948) 7.724 4.435 ( -8.194 7.109 3.141) 11.294 4.435 ( 8.194 7.109 3.141) 11.294 4.686 ( -3.855 2.527 2.220) 5.116 4.686 ( 3.855 2.527 2.220) 5.116 4.844 ( -5.466 -5.711 5.871) 9.847 4.844 ( 5.466 -5.711 5.871) 9.847 5.710 ( -10.292 -0.029 2.958) 10.709 5.710 ( 10.292 -0.029 2.958) 10.709 5.965 ( -7.415 3.768 0.622) 8.341 5.965 ( 7.415 3.768 0.622) 8.341 6.202 ( -1.445 2.332 -1.859) 3.314 6.202 ( 1.445 2.332 -1.859) 3.314 6.365 ( -8.995 -3.119 -5.648) 11.069 6.365 ( 8.995 -3.119 -5.648) 11.069 6.647 ( -11.019 -6.023 1.812) 12.688 6.647 ( 11.019 -6.023 1.812) 12.688 7.079 ( -6.310 8.216 -2.165) 10.583 7.079 ( 6.310 8.216 -2.165) 10.583 7.616 ( -8.952 4.724 -2.434) 10.411 7.616 ( 8.952 4.724 -2.434) 10.411 9.114 ( -15.302 2.324 -6.662) 16.850 9.114 ( 15.302 2.324 -6.662) 16.850 9.948 ( -9.750 -18.369 -5.725) 21.569 9.948 ( 9.750 -18.369 -5.725) 21.569 11.513 ( -2.420 1.313 -10.404) 10.762 11.513 ( 2.420 1.313 -10.404) 10.762 11.699 ( -2.729 -3.238 -6.149) 7.465 11.699 ( 2.729 -3.238 -6.149) 7.465 13.465 ( -1.383 11.918 1.559) 12.099 13.465 ( 1.383 11.918 1.559) 12.099 14.213 ( -0.395 -4.296 -0.739) 4.377 14.213 ( 0.395 -4.296 -0.739) 4.377 14.659 ( -1.079 -1.581 4.771) 5.140 14.659 ( 1.079 -1.581 4.771) 5.140 14.866 ( -3.630 -5.951 3.469) 7.786 14.866 ( 3.630 -5.951 3.469) 7.786 17.145 ( -0.263 2.160 0.187) 2.184 17.145 ( 0.263 2.160 0.187) 2.184 17.283 ( -0.481 -2.626 2.828) 3.889 17.283 ( 0.481 -2.626 2.828) 3.889 17.610 ( -1.912 -0.416 -1.079) 2.234 17.610 ( 1.912 -0.416 -1.079) 2.234 17.870 ( -0.939 -5.576 -0.357) 5.666 17.870 ( 0.939 -5.576 -0.357) 5.666 20.144 ( -2.656 9.610 -1.015) 10.022 20.144 ( 2.656 9.610 -1.015) 10.022 20.558 ( -5.527 -2.735 0.025) 6.166 20.558 ( 5.527 -2.735 0.025) 6.166 28.881 ( -4.685 2.205 -0.227) 5.183 28.881 ( 4.685 2.205 -0.227) 5.183 29.091 ( -4.226 -3.445 0.563) 5.481 29.091 ( 4.226 -3.445 0.563) 5.481 31.078 ( -17.908 4.561 1.540) 18.544 31.078 ( 17.908 4.561 1.540) 18.544 31.419 ( -17.908 -4.798 -7.476) 19.990 31.419 ( 17.908 -4.798 -7.476) 19.990 33.467 ( -3.554 0.735 14.389) 14.840 33.467 ( 3.554 0.735 14.389) 14.840 34.146 ( -9.461 -18.121 14.399) 25.004 34.146 ( 9.461 -18.121 14.399) 25.004 35.587 ( -5.865 11.239 -7.622) 14.792 35.587 ( 5.865 11.239 -7.622) 14.792 35.913 ( -3.878 3.503 -3.601) 6.346 35.913 ( 3.878 3.503 -3.601) 6.346 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 0.000 12.742 18.292) 22.293 2.870 ( 0.000 11.264 12.203) 16.606 3.484 ( 0.000 1.401 6.908) 7.048 3.486 ( 0.000 -2.753 11.350) 11.679 3.845 ( 0.000 -4.456 9.475) 10.470 3.894 ( 0.000 -6.552 10.346) 12.246 4.276 ( 0.000 7.058 18.601) 19.895 4.406 ( 0.000 6.314 10.439) 12.200 4.420 ( 0.000 5.967 6.238) 8.632 4.466 ( 0.000 -6.295 20.099) 21.062 4.704 ( 0.000 5.889 4.003) 7.121 4.749 ( 0.000 -0.847 4.332) 4.414 4.957 ( 0.000 7.456 -2.924) 8.009 4.977 ( 0.000 5.366 -0.129) 5.368 5.418 ( 0.000 -1.862 -1.510) 2.398 5.531 ( 0.000 17.078 -0.757) 17.095 5.542 ( 0.000 -5.771 -11.011) 12.432 5.897 ( 0.000 12.850 -10.352) 16.501 5.966 ( 0.000 -19.713 -7.907) 21.239 6.038 ( 0.000 -1.872 -3.887) 4.315 6.164 ( 0.000 -9.439 -8.803) 12.907 6.193 ( 0.000 -19.996 0.731) 20.009 6.489 ( 0.000 2.047 -6.571) 6.883 6.570 ( 0.000 -4.761 -4.702) 6.691 6.966 ( 0.000 1.323 -4.256) 4.457 7.006 ( 0.000 -2.086 -1.620) 2.641 7.339 ( 0.000 8.535 2.871) 9.005 7.569 ( 0.000 -11.831 -2.302) 12.053 9.213 ( 0.000 12.478 2.237) 12.677 9.414 ( 0.000 -5.795 1.227) 5.923 10.038 ( 0.000 7.752 -6.744) 10.275 10.170 ( 0.000 -4.888 -9.333) 10.536 11.362 ( 0.000 -0.348 -5.790) 5.801 11.385 ( 0.000 -2.626 -9.106) 9.477 11.806 ( 0.000 0.505 -10.883) 10.894 11.825 ( 0.000 -0.983 -10.415) 10.461 13.620 ( 0.000 8.530 1.252) 8.621 13.690 ( 0.000 5.066 0.581) 5.099 14.109 ( 0.000 -6.668 3.918) 7.734 14.138 ( 0.000 -6.745 2.770) 7.292 14.476 ( 0.000 0.241 4.769) 4.775 14.493 ( 0.000 -1.061 4.426) 4.551 14.774 ( 0.000 0.761 1.383) 1.579 14.791 ( 0.000 -1.008 0.149) 1.019 17.163 ( 0.000 -0.103 2.534) 2.536 17.174 ( 0.000 -0.798 1.961) 2.117 17.262 ( 0.000 1.121 -0.313) 1.164 17.301 ( 0.000 -2.287 -0.191) 2.295 17.716 ( 0.000 0.419 0.984) 1.070 17.747 ( 0.000 -2.306 0.005) 2.306 17.789 ( 0.000 -0.635 -1.389) 1.527 17.795 ( 0.000 -0.832 -0.614) 1.033 20.184 ( 0.000 4.638 -1.080) 4.762 20.276 ( 0.000 -3.656 0.515) 3.692 20.544 ( 0.000 7.950 -4.110) 8.950 20.674 ( 0.000 -4.495 -2.330) 5.063 28.756 ( 0.000 1.112 -0.933) 1.452 28.791 ( 0.000 -2.036 -1.117) 2.322 29.243 ( 0.000 2.045 3.073) 3.692 29.285 ( 0.000 -1.770 2.551) 3.105 30.325 ( 0.000 3.472 6.014) 6.944 30.410 ( 0.000 -4.370 4.704) 6.421 31.760 ( 0.000 5.093 -7.856) 9.362 31.878 ( 0.000 -5.797 -9.940) 11.507 33.362 ( 0.000 1.866 17.001) 17.103 33.440 ( 0.000 -3.970 20.493) 20.874 33.871 ( 0.000 9.008 14.165) 16.787 34.177 ( 0.000 -17.539 12.653) 21.627 35.456 ( 0.000 2.944 -5.300) 6.063 35.466 ( 0.000 1.850 -3.148) 3.652 36.261 ( 0.000 3.423 -9.715) 10.300 36.292 ( 0.000 0.866 -11.751) 11.783 ======================= Grid point 169 (62/96) ======================= q-point: ( 0.17 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -5.135 15.622 15.800) 22.805 2.946 ( 3.344 1.427 11.366) 11.933 3.385 ( -6.480 4.940 5.999) 10.118 3.465 ( -0.912 1.372 12.570) 12.677 3.778 ( -6.856 -6.378 8.760) 12.823 3.832 ( -6.898 -8.939 8.950) 14.408 4.147 ( -10.323 7.859 12.422) 17.962 4.305 ( -10.010 -3.414 7.712) 13.090 4.464 ( 0.136 8.205 18.112) 19.884 4.589 ( 7.285 -0.895 11.397) 13.556 4.693 ( -1.151 9.420 -0.297) 9.495 4.831 ( 4.202 1.266 7.658) 8.826 4.933 ( -0.519 11.391 -1.551) 11.508 5.049 ( 9.163 -2.792 -0.129) 9.580 5.120 ( -14.105 -0.699 -8.793) 16.636 5.349 ( 0.024 -11.168 -2.058) 11.356 5.777 ( -2.737 3.690 -0.868) 4.676 5.918 ( 10.761 2.174 -2.846) 11.341 6.077 ( -1.132 -5.640 -1.330) 5.904 6.119 ( 16.969 6.719 -8.147) 19.986 6.274 ( 9.191 -4.718 -7.591) 12.820 6.450 ( 8.080 -0.896 0.597) 8.151 6.553 ( 0.473 -4.838 -5.590) 7.408 6.671 ( 18.640 -12.512 -13.048) 25.966 6.878 ( -4.979 3.455 -2.773) 6.665 6.968 ( -2.521 -4.920 -2.492) 6.064 7.351 ( 2.347 9.261 2.666) 9.919 7.577 ( 1.493 -10.621 -1.521) 10.833 9.194 ( -2.055 13.242 3.088) 13.752 9.435 ( 1.548 -8.383 0.887) 8.571 9.883 ( -14.617 8.969 -6.901) 18.486 10.073 ( -9.883 -8.490 -10.169) 16.528 11.376 ( 2.004 0.335 -6.709) 7.010 11.409 ( 2.343 -2.648 -8.282) 9.005 11.779 ( -2.740 0.680 -10.372) 10.749 11.804 ( -2.291 -1.446 -10.155) 10.510 13.641 ( 2.105 9.581 1.442) 9.915 13.711 ( 1.882 6.393 0.699) 6.700 14.093 ( -1.606 -7.159 3.301) 8.045 14.125 ( -1.511 -7.304 2.182) 7.771 14.507 ( 3.215 0.498 4.943) 5.918 14.534 ( 3.932 -1.618 4.285) 6.037 14.755 ( -1.112 1.739 2.006) 2.878 14.805 ( 0.530 -2.752 0.855) 2.930 17.170 ( 0.631 0.011 2.395) 2.477 17.177 ( 0.286 -0.446 1.750) 1.828 17.251 ( -1.048 0.723 0.088) 1.276 17.284 ( -1.596 -2.107 0.245) 2.655 17.689 ( -2.097 2.059 0.836) 3.056 17.742 ( -1.459 -1.300 -1.449) 2.433 17.764 ( -1.392 -1.558 0.245) 2.104 17.790 ( -0.828 -2.502 -1.057) 2.840 20.202 ( 1.811 5.186 -0.988) 5.581 20.302 ( 2.684 -3.960 0.157) 4.786 20.510 ( -3.342 8.181 -3.380) 9.461 20.646 ( -2.782 -4.803 -2.115) 5.940 28.780 ( 2.399 1.572 -0.831) 2.987 28.822 ( 3.042 -2.260 -1.146) 3.959 29.186 ( -5.215 1.818 2.379) 6.013 29.227 ( -5.118 -1.965 2.171) 5.896 30.471 ( 14.023 4.045 4.979) 15.421 30.567 ( 14.896 -4.784 3.211) 15.972 31.696 ( -6.673 5.156 -6.780) 10.820 31.813 ( -6.791 -5.624 -9.060) 12.642 33.381 ( 2.139 2.937 17.022) 17.406 33.480 ( 3.951 -4.659 18.442) 19.427 33.831 ( -3.949 7.406 14.250) 16.538 34.116 ( -5.938 -16.944 12.624) 21.948 35.499 ( 4.798 4.227 -4.743) 7.961 35.531 ( 6.016 1.109 -3.667) 7.132 36.209 ( -5.248 2.901 -9.252) 11.025 36.229 ( -6.154 1.290 -10.320) 12.085 ======================= Grid point 170 (63/96) ======================= q-point: ( 0.33 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 5.840 13.076 12.580) 19.061 2.986 ( 2.395 -9.204 6.216) 11.362 3.273 ( -8.717 12.763 3.366) 15.818 3.481 ( 0.946 8.748 15.927) 18.196 3.531 ( -16.122 -12.374 3.283) 20.586 3.695 ( -4.428 -2.447 10.671) 11.810 3.944 ( -8.134 -0.405 9.919) 12.834 4.075 ( -11.015 -7.849 6.495) 15.004 4.482 ( 2.058 9.356 12.114) 15.444 4.647 ( 0.219 -4.007 8.681) 9.564 4.661 ( -2.185 1.378 4.512) 5.199 4.729 ( -7.950 -4.692 -0.600) 9.251 4.979 ( 3.500 21.189 -4.921) 22.033 5.059 ( 3.447 16.398 -0.389) 16.761 5.352 ( 15.034 -9.941 3.043) 18.278 5.445 ( 6.202 -16.635 -2.749) 17.965 5.823 ( 8.667 4.076 2.074) 9.799 6.007 ( 0.271 -13.033 -0.328) 13.040 6.146 ( 8.371 7.532 -8.227) 13.946 6.294 ( 1.339 -5.373 -8.564) 10.199 6.414 ( -0.628 4.139 -1.772) 4.546 6.489 ( -6.045 5.264 3.430) 8.719 6.501 ( -6.161 -0.607 -2.084) 6.533 6.607 ( -6.534 -3.571 5.923) 9.515 7.025 ( 15.473 6.895 -9.137) 19.247 7.269 ( 22.626 -10.351 -12.348) 27.777 7.449 ( 6.523 8.210 0.388) 10.493 7.615 ( 1.111 -4.866 -1.760) 5.292 9.157 ( -0.202 12.835 2.486) 13.075 9.455 ( 0.368 -15.194 1.077) 15.237 9.545 ( -17.701 10.442 -7.064) 21.732 9.816 ( -15.337 -14.208 -8.769) 22.672 11.449 ( 5.360 1.063 -8.200) 9.854 11.479 ( 5.039 -1.535 -8.130) 9.688 11.701 ( -5.195 0.480 -9.749) 11.057 11.732 ( -5.120 -2.107 -9.284) 10.810 13.696 ( 3.288 12.114 1.795) 12.679 13.749 ( 1.608 10.678 1.218) 10.867 14.053 ( -2.098 -9.782 1.946) 10.192 14.081 ( -2.774 -9.105 1.247) 9.599 14.589 ( 4.753 1.076 4.828) 6.860 14.628 ( 5.067 -1.694 4.010) 6.680 14.735 ( -1.062 0.776 3.474) 3.714 14.798 ( -1.505 -4.293 2.157) 5.035 17.182 ( 0.331 0.786 1.818) 2.008 17.184 ( 0.440 0.609 1.184) 1.403 17.230 ( -0.852 -0.680 1.161) 1.593 17.250 ( -1.675 -2.073 1.182) 2.915 17.653 ( -1.252 3.619 0.156) 3.833 17.690 ( -2.893 2.472 -1.439) 4.069 17.751 ( -0.339 -4.850 -0.050) 4.862 17.769 ( -1.153 -4.470 -0.908) 4.705 20.253 ( 3.452 6.481 -0.970) 7.407 20.374 ( 4.400 -4.274 -0.894) 6.199 20.428 ( -4.674 7.942 -1.667) 9.365 20.572 ( -4.703 -5.276 -1.564) 7.238 28.846 ( 4.314 2.452 -0.511) 4.988 28.899 ( 4.647 -2.299 -1.038) 5.287 29.070 ( -6.218 1.531 1.273) 6.529 29.118 ( -5.794 -2.718 0.974) 6.473 30.811 ( 19.663 4.971 2.399) 20.423 30.922 ( 20.251 -5.327 -0.185) 20.941 31.502 ( -13.322 5.280 -4.155) 14.921 31.617 ( -13.305 -5.400 -6.841) 15.906 33.448 ( 4.767 5.000 15.866) 17.304 33.576 ( 4.740 -1.685 14.747) 15.582 33.740 ( -4.016 -0.226 15.115) 15.641 33.966 ( -9.018 -15.660 12.959) 22.237 35.634 ( 8.785 5.854 -5.074) 11.713 35.680 ( 8.900 1.524 -4.194) 9.956 36.060 ( -9.705 2.452 -8.315) 13.013 36.079 ( -8.737 0.601 -6.752) 11.058 ======================= Grid point 171 (64/96) ======================= q-point: (-0.50 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -14.309 9.627 8.163) 19.080 2.939 ( 14.309 9.627 8.163) 19.080 3.188 ( -11.484 -10.935 2.942) 16.128 3.188 ( 11.484 -10.935 2.942) 16.128 3.606 ( -6.745 12.264 12.459) 18.739 3.606 ( 6.745 12.264 12.459) 18.739 3.914 ( -4.959 -12.523 7.515) 15.424 3.914 ( 4.959 -12.523 7.515) 15.424 4.552 ( -5.242 5.631 7.482) 10.732 4.552 ( 5.242 5.631 7.482) 10.732 4.669 ( -1.065 -4.527 4.443) 6.432 4.669 ( 1.065 -4.527 4.443) 6.432 5.053 ( -3.351 21.424 -3.866) 22.027 5.053 ( 3.351 21.424 -3.866) 22.027 5.512 ( -1.337 -18.108 -1.157) 18.194 5.512 ( 1.337 -18.108 -1.157) 18.194 6.063 ( -11.834 4.731 -0.442) 12.752 6.063 ( 11.834 4.731 -0.442) 12.752 6.153 ( -10.844 -4.090 0.256) 11.593 6.153 ( 10.844 -4.090 0.256) 11.593 6.384 ( -4.373 4.711 -3.548) 7.342 6.384 ( 4.373 4.711 -3.548) 7.342 6.515 ( -4.714 -6.691 2.098) 8.449 6.515 ( 4.714 -6.691 2.098) 8.449 7.352 ( -12.887 14.515 -4.871) 20.012 7.352 ( 12.887 14.515 -4.871) 20.012 7.599 ( -5.195 -6.905 -5.794) 10.404 7.599 ( 5.195 -6.905 -5.794) 10.404 9.245 ( -10.105 10.481 -3.134) 14.893 9.245 ( 10.105 10.481 -3.134) 14.893 9.553 ( -9.779 -17.480 -2.738) 20.216 9.553 ( 9.779 -17.480 -2.738) 20.216 11.557 ( -3.104 2.761 -9.697) 10.549 11.557 ( 3.104 2.761 -9.697) 10.549 11.625 ( -3.247 -3.504 -8.200) 9.489 11.625 ( 3.247 -3.504 -8.200) 9.489 13.751 ( -1.732 14.189 1.882) 14.418 13.751 ( 1.732 14.189 1.882) 14.418 14.038 ( -1.002 -11.700 0.941) 11.780 14.038 ( 1.002 -11.700 0.941) 11.780 14.667 ( -2.490 2.316 4.225) 5.423 14.667 ( 2.490 2.316 4.225) 5.423 14.747 ( -3.228 -4.848 3.536) 6.814 14.747 ( 3.228 -4.848 3.536) 6.814 17.186 ( -0.135 1.714 0.957) 1.967 17.186 ( 0.135 1.714 0.957) 1.967 17.227 ( -0.585 -2.301 1.899) 3.040 17.227 ( 0.585 -2.301 1.899) 3.040 17.650 ( -1.038 3.778 -0.723) 3.984 17.650 ( 1.038 3.778 -0.723) 3.984 17.752 ( -0.505 -5.366 -0.592) 5.422 17.752 ( 0.505 -5.366 -0.592) 5.422 20.333 ( -4.617 7.781 -1.432) 9.160 20.333 ( 4.617 7.781 -1.432) 9.160 20.473 ( -5.284 -5.291 -0.836) 7.524 20.473 ( 5.284 -5.291 -0.836) 7.524 28.938 ( -4.460 3.171 -0.178) 5.475 28.938 ( 4.460 3.171 -0.178) 5.475 29.013 ( -4.256 -3.713 0.099) 5.649 29.013 ( 4.256 -3.713 0.099) 5.649 31.188 ( -18.146 5.495 -0.729) 18.974 31.188 ( 18.146 5.495 -0.729) 18.974 31.307 ( -18.148 -5.549 -3.958) 19.386 31.307 ( 18.148 -5.549 -3.958) 19.386 33.555 ( -5.536 7.658 14.118) 16.988 33.555 ( 5.536 7.658 14.118) 16.988 33.792 ( -8.111 -14.279 14.382) 21.829 33.792 ( 8.111 -14.279 14.382) 21.829 35.801 ( -4.136 8.214 -6.442) 11.228 35.801 ( 4.136 8.214 -6.442) 11.228 35.921 ( -3.312 -2.773 -4.860) 6.502 35.921 ( 3.312 -2.773 -4.860) 6.502 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.000 0.000 19.971) 19.971 2.971 ( 0.000 0.000 40.736) 40.736 2.998 ( 0.000 0.000 -1.802) 1.802 3.309 ( 0.000 0.000 5.927) 5.927 3.577 ( 0.000 0.000 -3.740) 3.740 3.894 ( 0.000 0.000 12.765) 12.765 4.123 ( 0.000 0.000 25.188) 25.188 4.319 ( 0.000 0.000 -2.333) 2.333 4.421 ( 0.000 0.000 16.344) 16.344 4.659 ( 0.000 0.000 17.896) 17.896 4.695 ( 0.000 0.000 -0.033) 0.033 4.951 ( 0.000 0.000 -2.617) 2.617 5.018 ( 0.000 0.000 -14.307) 14.307 5.145 ( 0.000 0.000 -4.458) 4.458 5.186 ( 0.000 0.000 2.166) 2.166 5.371 ( 0.000 0.000 -10.173) 10.173 5.611 ( 0.000 0.000 9.169) 9.169 6.032 ( 0.000 0.000 8.314) 8.314 6.142 ( 0.000 0.000 -2.957) 2.957 6.191 ( 0.000 0.000 3.790) 3.790 6.197 ( 0.000 0.000 -5.533) 5.533 6.372 ( 0.000 0.000 -11.277) 11.277 6.580 ( 0.000 0.000 -12.009) 12.009 6.957 ( 0.000 0.000 -5.246) 5.246 7.099 ( 0.000 0.000 -15.935) 15.935 7.221 ( 0.000 0.000 6.580) 6.580 7.253 ( 0.000 0.000 -19.400) 19.400 7.750 ( 0.000 0.000 -9.050) 9.050 8.831 ( 0.000 0.000 8.569) 8.569 9.104 ( 0.000 0.000 3.341) 3.341 9.722 ( 0.000 0.000 5.150) 5.150 10.172 ( 0.000 0.000 -9.198) 9.198 11.382 ( 0.000 0.000 -10.187) 10.187 11.402 ( 0.000 0.000 -6.706) 6.706 11.692 ( 0.000 0.000 -5.847) 5.847 11.694 ( 0.000 0.000 -3.172) 3.172 13.226 ( 0.000 0.000 2.012) 2.012 13.257 ( 0.000 0.000 -1.294) 1.294 14.356 ( 0.000 0.000 1.058) 1.058 14.431 ( 0.000 0.000 -1.512) 1.512 14.608 ( 0.000 0.000 3.530) 3.530 14.692 ( 0.000 0.000 0.290) 0.290 14.820 ( 0.000 0.000 5.786) 5.786 15.052 ( 0.000 0.000 -2.959) 2.959 17.211 ( 0.000 0.000 2.520) 2.520 17.235 ( 0.000 0.000 1.606) 1.606 17.325 ( 0.000 0.000 1.763) 1.763 17.573 ( 0.000 0.000 -5.289) 5.289 17.759 ( 0.000 0.000 1.533) 1.533 17.831 ( 0.000 0.000 -0.684) 0.684 17.871 ( 0.000 0.000 0.032) 0.032 17.951 ( 0.000 0.000 -3.164) 3.164 19.774 ( 0.000 0.000 2.932) 2.932 19.933 ( 0.000 0.000 -2.686) 2.686 20.506 ( 0.000 0.000 7.177) 7.177 20.789 ( 0.000 0.000 -1.873) 1.873 28.729 ( 0.000 0.000 -0.452) 0.452 28.838 ( 0.000 0.000 -3.162) 3.162 29.262 ( 0.000 0.000 5.397) 5.397 29.395 ( 0.000 0.000 1.364) 1.364 30.400 ( 0.000 0.000 8.447) 8.447 30.642 ( 0.000 0.000 1.207) 1.207 31.519 ( 0.000 0.000 -2.213) 2.213 31.873 ( 0.000 0.000 -13.705) 13.705 33.606 ( 0.000 0.000 12.862) 12.862 33.662 ( 0.000 0.000 8.475) 8.475 34.685 ( 0.000 0.000 7.296) 7.296 35.008 ( 0.000 0.000 -3.348) 3.348 35.302 ( 0.000 0.000 7.107) 7.107 35.320 ( 0.000 0.000 3.681) 3.681 35.670 ( 0.000 0.000 -5.274) 5.274 35.736 ( 0.000 0.000 -10.106) 10.106 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 5.612 0.000 17.807) 18.670 2.762 ( -13.036 0.000 34.882) 37.238 2.990 ( -1.089 0.000 -1.095) 1.544 3.321 ( 1.193 0.000 5.689) 5.813 3.561 ( -1.936 0.000 -1.832) 2.665 3.959 ( 6.414 0.000 9.051) 11.093 4.186 ( -8.196 0.000 5.350) 9.787 4.344 ( 2.086 0.000 -2.689) 3.404 4.355 ( -6.473 0.000 15.202) 16.523 4.663 ( -2.369 0.000 0.632) 2.452 4.692 ( -6.391 0.000 11.670) 13.305 4.936 ( 3.007 0.000 5.633) 6.385 4.943 ( -1.214 0.000 -1.630) 2.033 5.052 ( 3.526 0.000 -12.484) 12.973 5.208 ( 6.668 0.000 -7.256) 9.855 5.467 ( 4.451 0.000 12.873) 13.621 5.718 ( 9.793 0.000 5.488) 11.226 5.971 ( -6.746 0.000 3.365) 7.539 6.078 ( -6.891 0.000 -7.142) 9.925 6.208 ( 9.536 0.000 10.577) 14.241 6.248 ( -15.215 0.000 -12.950) 19.980 6.310 ( 3.046 0.000 -1.036) 3.217 6.725 ( 9.204 0.000 -16.782) 19.141 6.796 ( -0.541 0.000 3.049) 3.097 7.059 ( -3.046 0.000 -14.388) 14.707 7.178 ( -3.333 0.000 6.548) 7.347 7.563 ( 16.703 0.000 -18.482) 24.911 7.664 ( -8.003 0.000 -5.964) 9.981 8.641 ( -11.812 0.000 11.661) 16.598 9.185 ( 2.762 0.000 -3.077) 4.135 9.791 ( 6.978 0.000 3.500) 7.807 10.235 ( 5.276 0.000 -10.165) 11.452 11.368 ( -1.511 0.000 -9.837) 9.953 11.397 ( -0.448 0.000 -6.986) 7.000 11.670 ( -0.041 0.000 -3.288) 3.288 11.735 ( 1.911 0.000 -4.051) 4.479 13.211 ( -1.303 0.000 1.587) 2.054 13.248 ( -1.052 0.000 -1.031) 1.473 14.307 ( -3.797 0.000 1.047) 3.939 14.378 ( -4.508 0.000 -1.405) 4.722 14.660 ( 4.280 0.000 3.223) 5.358 14.733 ( 3.144 0.000 0.521) 3.187 14.856 ( 3.709 0.000 5.331) 6.494 15.073 ( 1.794 0.000 -2.805) 3.330 17.188 ( -3.633 0.000 1.062) 3.785 17.194 ( -2.182 0.000 1.928) 2.912 17.356 ( 1.840 0.000 2.160) 2.837 17.509 ( -4.831 0.000 -0.685) 4.879 17.672 ( -5.472 0.000 0.107) 5.473 17.811 ( -2.918 0.000 -3.859) 4.838 17.911 ( 3.255 0.000 0.694) 3.328 18.007 ( 3.670 0.000 -2.158) 4.257 19.790 ( 1.608 0.000 2.970) 3.377 19.934 ( -0.030 0.000 -1.943) 1.944 20.515 ( 1.016 0.000 6.170) 6.253 20.766 ( -2.354 0.000 -1.681) 2.892 28.737 ( 0.925 0.000 0.205) 0.948 28.863 ( 2.152 0.000 -3.344) 3.977 29.215 ( -4.030 0.000 4.809) 6.275 29.353 ( -3.837 0.000 0.834) 3.927 30.499 ( 9.683 0.000 7.898) 12.496 30.770 ( 12.069 0.000 -0.662) 12.087 31.457 ( -6.228 0.000 -1.525) 6.412 31.801 ( -7.104 0.000 -13.027) 14.838 33.637 ( 3.433 0.000 13.084) 13.527 33.715 ( 4.440 0.000 8.525) 9.612 34.699 ( 1.441 0.000 6.983) 7.130 34.966 ( -3.705 0.000 -1.073) 3.857 35.286 ( -1.391 0.000 6.416) 6.565 35.367 ( 4.269 0.000 1.206) 4.436 35.600 ( -6.758 0.000 -3.821) 7.763 35.715 ( -2.136 0.000 -9.572) 9.807 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 8.822 0.000 12.198) 15.055 2.695 ( 8.422 0.000 19.017) 20.798 2.945 ( -3.888 0.000 1.196) 4.068 3.356 ( 2.497 0.000 5.109) 5.686 3.500 ( -4.066 0.000 1.624) 4.379 3.721 ( -33.815 0.000 -4.191) 34.073 4.110 ( 8.267 0.000 2.238) 8.565 4.235 ( -3.836 0.000 5.314) 6.553 4.353 ( -2.477 0.000 -3.827) 4.559 4.406 ( -12.576 0.000 -3.623) 13.087 4.667 ( 4.264 0.000 3.013) 5.221 4.897 ( -3.679 0.000 0.446) 3.706 5.155 ( 7.545 0.000 -10.374) 12.827 5.331 ( 18.672 0.000 27.613) 33.333 5.390 ( 10.551 0.000 -13.918) 17.465 5.565 ( 4.668 0.000 16.994) 17.623 5.809 ( -18.872 0.000 -7.251) 20.217 5.867 ( 4.030 0.000 7.056) 8.126 5.960 ( -11.775 0.000 -13.207) 17.694 5.970 ( 10.625 0.000 5.755) 12.084 6.271 ( -2.434 0.000 0.143) 2.438 6.481 ( 13.131 0.000 6.998) 14.880 6.698 ( -10.350 0.000 -16.095) 19.136 6.961 ( 14.716 0.000 9.780) 17.669 7.012 ( -6.258 0.000 0.657) 6.293 7.175 ( 5.430 0.000 -0.051) 5.431 7.487 ( -9.373 0.000 -1.972) 9.578 7.635 ( -10.760 0.000 -2.382) 11.021 8.610 ( 10.412 0.000 -1.511) 10.521 9.136 ( -7.963 0.000 -9.890) 12.697 9.978 ( 11.778 0.000 -2.865) 12.121 10.304 ( 0.063 0.000 -11.640) 11.640 11.336 ( -0.973 0.000 -7.944) 8.004 11.382 ( -1.316 0.000 -6.506) 6.638 11.692 ( 2.067 0.000 -1.608) 2.619 11.755 ( 0.023 0.000 -2.569) 2.569 13.187 ( -0.768 0.000 0.813) 1.118 13.218 ( -1.787 0.000 -0.711) 1.923 14.245 ( -2.077 0.000 0.522) 2.142 14.290 ( -4.025 0.000 -1.015) 4.151 14.741 ( 3.592 0.000 2.704) 4.496 14.783 ( 1.628 0.000 1.194) 2.019 14.953 ( 5.836 0.000 3.807) 6.968 15.097 ( 0.044 0.000 -1.578) 1.579 17.114 ( -3.414 0.000 0.833) 3.514 17.130 ( -3.734 0.000 0.842) 3.828 17.373 ( 0.623 0.000 3.040) 3.103 17.449 ( -1.933 0.000 4.383) 4.791 17.604 ( -0.770 0.000 -2.869) 2.971 17.729 ( -4.868 0.000 -4.165) 6.406 17.980 ( 3.458 0.000 0.043) 3.458 18.050 ( 0.585 0.000 -1.733) 1.829 19.833 ( 2.670 0.000 2.819) 3.882 19.924 ( -1.237 0.000 0.000) 1.237 20.551 ( 2.796 0.000 3.551) 4.520 20.703 ( -3.988 0.000 -0.926) 4.094 28.771 ( 2.634 0.000 0.994) 2.815 28.888 ( -0.622 0.000 -2.283) 2.366 29.154 ( -0.963 0.000 2.844) 3.002 29.268 ( -4.513 0.000 -0.182) 4.517 30.741 ( 14.435 0.000 5.926) 15.604 31.052 ( 15.857 0.000 -4.713) 16.543 31.285 ( -11.324 0.000 0.594) 11.339 31.614 ( -11.841 0.000 -11.032) 16.184 33.728 ( 5.208 0.000 12.857) 13.871 33.795 ( 2.938 0.000 9.470) 9.915 34.740 ( 2.767 0.000 6.038) 6.642 34.885 ( -4.395 0.000 2.078) 4.862 35.266 ( -0.068 0.000 4.560) 4.561 35.441 ( -8.535 0.000 -0.791) 8.572 35.464 ( 5.419 0.000 -2.499) 5.968 35.655 ( -3.922 0.000 -8.030) 8.937 ======================= Grid point 199 (68/96) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -7.574 0.000 5.751) 9.510 2.833 ( 7.574 0.000 5.751) 9.510 3.079 ( -29.230 0.000 2.163) 29.310 3.079 ( 29.230 0.000 2.163) 29.310 3.419 ( -3.944 0.000 4.008) 5.623 3.419 ( 3.944 0.000 4.008) 5.623 4.239 ( -4.517 0.000 0.542) 4.549 4.239 ( 4.517 0.000 0.542) 4.549 4.256 ( -6.664 0.000 -2.159) 7.005 4.256 ( 6.664 0.000 -2.159) 7.005 4.794 ( -6.897 0.000 2.625) 7.380 4.794 ( 6.897 0.000 2.625) 7.380 5.362 ( -13.193 0.000 -12.700) 18.313 5.362 ( 13.193 0.000 -12.700) 18.313 5.540 ( -6.040 0.000 19.633) 20.542 5.540 ( 6.040 0.000 19.633) 20.542 5.729 ( -11.135 0.000 -10.614) 15.383 5.729 ( 11.135 0.000 -10.614) 15.383 6.041 ( -8.100 0.000 8.544) 11.773 6.041 ( 8.100 0.000 8.544) 11.773 6.374 ( -15.881 0.000 -6.072) 17.002 6.374 ( 15.881 0.000 -6.072) 17.002 6.799 ( -14.229 0.000 4.715) 14.989 6.799 ( 14.229 0.000 4.715) 14.989 7.304 ( -19.523 0.000 9.582) 21.748 7.304 ( 19.523 0.000 9.582) 21.748 7.316 ( -8.196 0.000 -0.520) 8.213 7.316 ( 8.196 0.000 -0.520) 8.213 8.898 ( -15.625 0.000 -11.288) 19.275 8.898 ( 15.625 0.000 -11.288) 19.275 10.204 ( -9.920 0.000 -9.954) 14.053 10.204 ( 9.920 0.000 -9.954) 14.053 11.347 ( -1.825 0.000 -5.983) 6.255 11.347 ( 1.825 0.000 -5.983) 6.255 11.735 ( -1.950 0.000 -1.355) 2.374 11.735 ( 1.950 0.000 -1.355) 2.374 13.189 ( -0.962 0.000 -0.104) 0.967 13.189 ( 0.962 0.000 -0.104) 0.967 14.237 ( -1.253 0.000 -0.305) 1.290 14.237 ( 1.253 0.000 -0.305) 1.290 14.788 ( -1.147 0.000 2.006) 2.311 14.788 ( 1.147 0.000 2.006) 2.311 15.057 ( -4.190 0.000 1.153) 4.346 15.057 ( 4.190 0.000 1.153) 4.346 17.083 ( -0.583 0.000 0.674) 0.891 17.083 ( 0.583 0.000 0.674) 0.891 17.403 ( -2.388 0.000 4.093) 4.738 17.403 ( 2.388 0.000 4.093) 4.738 17.641 ( -3.840 0.000 -3.590) 5.257 17.641 ( 3.840 0.000 -3.590) 5.257 18.034 ( -2.013 0.000 -0.914) 2.211 18.034 ( 2.013 0.000 -0.914) 2.211 19.886 ( -2.561 0.000 1.907) 3.193 19.886 ( 2.561 0.000 1.907) 3.193 20.621 ( -4.191 0.000 0.798) 4.267 20.621 ( 4.191 0.000 0.798) 4.267 28.836 ( -3.794 0.000 0.360) 3.811 28.836 ( 3.794 0.000 0.360) 3.811 29.187 ( -3.579 0.000 0.075) 3.580 29.187 ( 3.579 0.000 0.075) 3.580 31.027 ( -14.543 0.000 2.829) 14.816 31.027 ( 14.543 0.000 2.829) 14.816 31.355 ( -14.699 0.000 -7.877) 16.676 31.355 ( 14.699 0.000 -7.877) 16.676 33.805 ( -2.052 0.000 11.405) 11.589 33.805 ( 2.052 0.000 11.405) 11.589 34.804 ( -3.836 0.000 4.430) 5.860 34.804 ( 3.836 0.000 4.430) 5.860 35.307 ( -4.683 0.000 2.080) 5.124 35.307 ( 4.683 0.000 2.080) 5.124 35.567 ( -5.093 0.000 -5.626) 7.589 35.567 ( 5.093 0.000 -5.626) 7.589 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.000 12.916 20.550) 24.272 2.823 ( 0.000 -1.096 23.471) 23.496 3.370 ( 0.000 20.807 12.428) 24.236 3.428 ( 0.000 9.565 4.218) 10.454 3.656 ( 0.000 6.622 -3.724) 7.597 3.888 ( 0.000 -0.103 15.127) 15.127 4.174 ( 0.000 5.184 15.899) 16.722 4.297 ( 0.000 -2.141 -0.559) 2.213 4.479 ( 0.000 5.116 15.211) 16.048 4.561 ( 0.000 -2.749 7.849) 8.316 4.808 ( 0.000 4.374 7.723) 8.876 4.933 ( 0.000 -3.999 -4.461) 5.991 5.005 ( 0.000 -1.359 -11.551) 11.631 5.061 ( 0.000 -5.840 0.672) 5.878 5.207 ( 0.000 1.236 -0.703) 1.421 5.392 ( 0.000 1.580 -9.655) 9.783 5.476 ( 0.000 -6.807 8.474) 10.870 5.904 ( 0.000 -9.315 0.575) 9.332 6.091 ( 0.000 -3.923 3.404) 5.194 6.191 ( 0.000 -1.200 -6.613) 6.721 6.275 ( 0.000 4.212 2.087) 4.701 6.462 ( 0.000 -8.510 -11.011) 13.916 6.488 ( 0.000 7.520 -8.900) 11.652 6.845 ( 0.000 -7.793 -6.258) 9.995 7.096 ( 0.000 -3.778 -15.910) 16.352 7.134 ( 0.000 -3.115 2.446) 3.961 7.434 ( 0.000 9.330 -13.989) 16.815 7.533 ( 0.000 -15.115 2.051) 15.253 8.884 ( 0.000 5.003 8.626) 9.972 9.258 ( 0.000 11.241 -1.573) 11.351 9.722 ( 0.000 0.237 3.603) 3.611 10.140 ( 0.000 -2.896 -9.618) 10.045 11.350 ( 0.000 -2.545 -8.713) 9.077 11.374 ( 0.000 -2.180 -5.208) 5.646 11.678 ( 0.000 -1.199 -5.972) 6.091 11.695 ( 0.000 -0.236 -4.867) 4.873 13.309 ( 0.000 7.365 1.591) 7.534 13.311 ( 0.000 4.921 -0.370) 4.935 14.350 ( 0.000 -0.715 0.726) 1.019 14.397 ( 0.000 -3.024 -0.756) 3.117 14.605 ( 0.000 -0.321 3.483) 3.497 14.674 ( 0.000 -1.761 0.803) 1.936 14.818 ( 0.000 -0.268 4.603) 4.611 14.974 ( 0.000 -6.495 -1.157) 6.597 17.216 ( 0.000 0.428 2.391) 2.429 17.236 ( 0.000 0.003 1.613) 1.613 17.306 ( 0.000 -1.640 1.526) 2.240 17.490 ( 0.000 -6.402 -2.488) 6.869 17.758 ( 0.000 -0.114 1.461) 1.466 17.821 ( 0.000 -0.909 -0.509) 1.042 17.852 ( 0.000 -1.652 -0.345) 1.688 17.895 ( 0.000 -4.471 -2.600) 5.172 19.915 ( 0.000 11.279 -1.089) 11.331 19.967 ( 0.000 3.096 -2.107) 3.745 20.494 ( 0.000 -1.174 6.755) 6.856 20.769 ( 0.000 -1.851 -2.192) 2.869 28.729 ( 0.000 0.006 -0.320) 0.320 28.829 ( 0.000 -0.885 -2.851) 2.985 29.264 ( 0.000 0.232 4.843) 4.848 29.382 ( 0.000 -1.133 1.219) 1.664 30.399 ( 0.000 -0.019 8.025) 8.025 30.620 ( 0.000 -1.996 1.427) 2.453 31.531 ( 0.000 1.152 -2.673) 2.910 31.844 ( 0.000 -2.512 -13.063) 13.303 33.626 ( 0.000 2.143 12.201) 12.387 33.637 ( 0.000 -1.785 9.504) 9.670 34.537 ( 0.000 -12.392 11.753) 17.079 35.068 ( 0.000 -2.242 -7.114) 7.459 35.120 ( 0.000 -6.368 8.639) 10.732 35.312 ( 0.000 1.278 0.988) 1.616 35.815 ( 0.000 9.965 -6.513) 11.905 35.856 ( 0.000 7.923 -7.680) 11.034 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.17 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 3.401 10.492 19.196) 22.139 2.740 ( -5.189 2.989 24.001) 24.737 3.228 ( -8.995 16.185 7.165) 19.855 3.438 ( 0.883 9.927 4.039) 10.754 3.599 ( -3.564 4.136 -0.047) 5.460 3.966 ( 4.514 0.465 7.196) 8.508 4.141 ( -7.892 -1.906 4.772) 9.418 4.320 ( -5.750 2.060 -3.099) 6.849 4.479 ( -3.319 4.614 11.033) 12.411 4.607 ( 1.244 -4.737 4.426) 6.601 4.745 ( -7.578 3.402 5.687) 10.066 4.754 ( -3.642 -8.542 -1.683) 9.437 4.990 ( 1.267 0.766 -0.177) 1.492 5.134 ( 8.986 -5.097 -2.243) 10.571 5.193 ( 2.820 8.693 -3.492) 9.784 5.482 ( 6.391 0.470 8.255) 10.450 5.601 ( 11.003 -5.309 3.450) 12.695 5.877 ( -3.832 -6.612 -2.089) 7.922 6.069 ( 0.251 -5.776 2.927) 6.480 6.159 ( 0.849 1.069 -0.626) 1.502 6.335 ( 0.834 1.770 -0.194) 1.966 6.434 ( -6.471 9.573 -7.411) 13.727 6.665 ( 12.949 -2.569 -7.429) 15.149 6.759 ( -3.294 -4.936 -9.558) 11.250 7.046 ( -2.096 -2.961 -10.594) 11.198 7.125 ( -0.828 -5.097 4.898) 7.117 7.481 ( -2.462 -9.448 1.285) 9.848 7.600 ( 9.090 0.060 -14.600) 17.198 8.771 ( -8.872 10.072 8.727) 16.010 9.257 ( -1.304 6.205 -4.773) 7.936 9.773 ( 5.362 -1.685 2.857) 6.305 10.178 ( 2.883 -5.168 -10.153) 11.752 11.343 ( -0.374 -2.377 -8.205) 8.551 11.368 ( -0.824 -1.722 -6.056) 6.349 11.666 ( -0.411 -0.823 -4.507) 4.600 11.714 ( 0.983 -1.700 -4.968) 5.342 13.288 ( -1.258 6.549 1.062) 6.753 13.314 ( -0.428 6.387 0.098) 6.402 14.305 ( -3.515 -0.393 0.718) 3.609 14.357 ( -3.701 -2.079 -1.033) 4.369 14.653 ( 4.089 -0.630 3.263) 5.269 14.707 ( 2.764 -2.173 1.557) 3.845 14.851 ( 3.220 -0.832 4.170) 5.333 15.001 ( 2.353 -5.997 -1.334) 6.579 17.193 ( -3.115 0.453 1.018) 3.309 17.199 ( -1.987 0.529 1.849) 2.766 17.339 ( 2.082 -1.580 2.031) 3.310 17.453 ( -2.848 -4.541 0.195) 5.364 17.673 ( -5.563 0.165 0.465) 5.585 17.781 ( -3.756 -2.353 -2.959) 5.329 17.885 ( 2.540 -2.282 0.389) 3.436 17.950 ( 3.225 -4.475 -1.388) 5.688 19.919 ( 0.464 10.112 -0.464) 10.133 19.975 ( 0.540 3.894 -1.584) 4.239 20.503 ( 1.009 -1.203 5.776) 5.986 20.747 ( -2.255 -1.770 -1.991) 3.490 28.740 ( 1.181 0.256 0.215) 1.227 28.855 ( 2.381 -0.750 -3.058) 3.947 29.213 ( -4.497 -0.161 4.321) 6.239 29.336 ( -4.162 -1.456 0.756) 4.474 30.503 ( 10.177 0.470 7.435) 12.612 30.749 ( 12.153 -1.921 -0.277) 12.307 31.473 ( -5.940 1.437 -1.977) 6.423 31.777 ( -6.731 -2.141 -12.335) 14.214 33.634 ( 1.977 -0.204 12.310) 12.470 33.689 ( 3.595 -1.351 9.248) 10.014 34.556 ( 1.989 -12.385 11.655) 17.123 35.038 ( -6.913 -6.298 8.971) 12.959 35.084 ( 1.763 -1.597 -6.775) 7.181 35.355 ( 2.643 1.042 -1.170) 3.073 35.755 ( -4.750 10.203 -5.037) 12.330 35.849 ( -1.451 8.390 -6.637) 10.795 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.33 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 7.676 2.256 17.150) 18.924 2.807 ( 7.850 10.567 10.966) 17.133 3.082 ( -6.801 9.749 4.104) 12.575 3.464 ( 1.006 7.273 3.603) 8.179 3.504 ( -8.331 3.990 3.471) 9.868 3.749 ( -24.636 2.629 -5.439) 25.366 4.065 ( 4.785 -3.347 2.763) 6.460 4.240 ( -1.290 -0.410 -0.848) 1.597 4.308 ( -9.173 -2.322 -2.114) 9.696 4.435 ( -10.692 0.516 -3.298) 11.201 4.678 ( 2.829 1.508 3.903) 5.051 4.834 ( -2.141 -4.900 2.511) 5.908 5.093 ( 9.188 -7.604 5.845) 13.282 5.229 ( 5.428 2.017 -4.230) 7.171 5.471 ( 8.694 -3.115 16.853) 19.217 5.610 ( 11.824 5.928 1.242) 13.285 5.776 ( 3.201 2.460 -2.109) 4.555 5.870 ( 4.227 0.183 3.706) 5.624 6.028 ( -0.485 0.845 -2.893) 3.052 6.079 ( -8.069 6.880 -6.254) 12.311 6.311 ( -3.968 3.124 -2.252) 5.530 6.477 ( 11.286 0.953 8.956) 14.439 6.618 ( -10.016 -7.578 -17.044) 21.171 6.885 ( 9.167 -4.551 6.953) 12.373 7.026 ( -1.434 0.241 2.404) 2.809 7.153 ( 1.849 -3.507 3.174) 5.079 7.426 ( -1.649 -0.874 0.743) 2.008 7.659 ( -5.405 -1.064 -8.317) 9.976 8.700 ( 4.785 8.283 1.048) 9.623 9.162 ( -9.109 2.424 -9.577) 13.437 9.924 ( 9.730 -5.148 -2.190) 11.224 10.206 ( -1.049 -8.828 -10.063) 13.427 11.335 ( -0.528 -0.056 -7.927) 7.944 11.351 ( -0.597 -2.251 -6.002) 6.438 11.668 ( 0.689 -2.441 -2.721) 3.720 11.718 ( -0.655 -3.076 -3.784) 4.920 13.269 ( -0.525 7.203 0.934) 7.283 13.295 ( -1.296 7.108 0.017) 7.225 14.247 ( -2.016 -0.057 0.229) 2.029 14.281 ( -3.491 -0.997 -0.972) 3.758 14.731 ( 3.390 -0.928 2.982) 4.609 14.758 ( 2.041 -2.022 2.230) 3.637 14.932 ( 4.832 -2.133 3.147) 6.148 15.039 ( 0.839 -5.035 -0.801) 5.167 17.132 ( -2.785 1.525 0.756) 3.264 17.145 ( -3.107 1.337 0.967) 3.518 17.365 ( 0.881 -0.943 2.807) 3.090 17.419 ( -0.904 -2.815 3.814) 4.826 17.595 ( -1.773 -0.422 -1.793) 2.557 17.694 ( -4.807 -2.844 -3.317) 6.496 17.936 ( 2.587 -3.636 0.134) 4.464 17.987 ( 0.603 -5.040 -1.138) 5.201 19.935 ( 1.208 8.198 0.581) 8.307 19.978 ( -0.345 5.057 -0.176) 5.072 20.539 ( 2.763 -1.264 3.209) 4.419 20.686 ( -3.851 -1.578 -1.217) 4.336 28.779 ( 2.872 0.737 0.874) 3.091 28.890 ( 0.120 0.169 -2.324) 2.333 29.138 ( -1.852 -1.424 2.695) 3.567 29.245 ( -4.812 -2.061 -0.214) 5.239 30.755 ( 14.917 1.344 5.464) 15.943 31.034 ( 16.061 -1.673 -3.996) 16.635 31.306 ( -11.187 1.873 0.085) 11.343 31.596 ( -11.608 -1.562 -10.276) 15.581 33.694 ( 3.667 -2.379 12.073) 12.840 33.748 ( 1.953 -3.093 9.305) 9.999 34.618 ( 4.555 -11.995 11.262) 17.072 34.886 ( -8.312 -8.628 9.846) 15.507 35.142 ( 4.278 1.670 -6.477) 7.940 35.356 ( -3.369 2.154 -5.816) 7.058 35.690 ( -0.583 10.256 -1.464) 10.376 35.799 ( -3.421 8.490 -4.715) 10.296 ======================= Grid point 206 (72/96) ======================= q-point: (-0.50 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -7.639 5.418 6.764) 11.553 2.924 ( 7.639 5.418 6.764) 11.553 3.086 ( -22.638 2.639 3.090) 23.000 3.086 ( 22.638 2.639 3.090) 23.000 3.526 ( -4.176 9.208 1.686) 10.250 3.526 ( 4.176 9.208 1.686) 10.250 4.167 ( -5.871 -6.248 -0.743) 8.606 4.167 ( 5.871 -6.248 -0.743) 8.606 4.275 ( -5.220 2.100 -1.805) 5.910 4.275 ( 5.220 2.100 -1.805) 5.910 4.757 ( -4.624 -2.092 3.808) 6.345 4.757 ( 4.624 -2.092 3.808) 6.345 5.251 ( -5.289 -8.424 0.093) 9.947 5.251 ( 5.289 -8.424 0.093) 9.947 5.582 ( -9.965 6.130 6.048) 13.170 5.582 ( 9.965 6.130 6.048) 13.170 5.909 ( -9.136 10.798 -6.206) 15.446 5.909 ( 9.136 10.798 -6.206) 15.446 6.041 ( -6.863 -0.789 5.761) 8.996 6.041 ( 6.863 -0.789 5.761) 8.996 6.337 ( -11.046 -3.527 -9.269) 14.845 6.337 ( 11.046 -3.527 -9.269) 14.845 6.795 ( -13.980 0.156 7.522) 15.875 6.795 ( 13.980 0.156 7.522) 15.875 7.128 ( -5.450 -7.385 5.603) 10.753 7.128 ( 5.450 -7.385 5.603) 10.753 7.477 ( -8.499 6.264 0.584) 10.574 7.477 ( 8.499 6.264 0.584) 10.574 8.920 ( -14.520 2.266 -9.065) 17.267 8.920 ( 14.520 2.266 -9.065) 17.267 10.112 ( -8.394 -8.406 -7.954) 14.296 10.112 ( 8.394 -8.406 -7.954) 14.296 11.337 ( -0.744 -0.615 -6.499) 6.570 11.337 ( 0.744 -0.615 -6.499) 6.570 11.693 ( -1.651 -3.718 -2.511) 4.781 11.693 ( 1.651 -3.718 -2.511) 4.781 13.272 ( -0.839 7.518 0.397) 7.575 13.272 ( 0.839 7.518 0.397) 7.575 14.236 ( -0.958 -0.294 -0.462) 1.104 14.236 ( 0.958 -0.294 -0.462) 1.104 14.772 ( -0.720 -1.353 2.638) 3.051 14.772 ( 0.720 -1.353 2.638) 3.051 15.016 ( -3.199 -3.711 1.177) 5.039 15.016 ( 3.199 -3.711 1.177) 5.039 17.106 ( -0.458 2.029 0.732) 2.205 17.106 ( 0.458 2.029 0.732) 2.205 17.391 ( -1.806 -1.316 3.817) 4.423 17.391 ( 1.806 -1.316 3.817) 4.423 17.613 ( -3.124 -2.124 -2.835) 4.723 17.613 ( 3.124 -2.124 -2.835) 4.723 17.977 ( -1.471 -4.725 -0.578) 4.982 17.977 ( 1.471 -4.725 -0.578) 4.982 19.961 ( -1.293 6.437 0.846) 6.620 19.961 ( 1.293 6.437 0.846) 6.620 20.607 ( -4.090 -1.382 0.501) 4.346 20.607 ( 4.090 -1.382 0.501) 4.346 28.846 ( -3.738 0.965 0.249) 3.869 28.846 ( 3.738 0.965 0.249) 3.869 29.161 ( -3.507 -2.343 -0.008) 4.218 29.161 ( 3.507 -2.343 -0.008) 4.218 31.049 ( -14.720 1.922 2.430) 15.043 31.049 ( 14.720 1.922 2.430) 15.043 31.339 ( -14.771 -1.449 -7.148) 16.474 31.339 ( 14.771 -1.449 -7.148) 16.474 33.751 ( -1.686 -3.755 10.683) 11.448 33.751 ( 1.686 -3.755 10.683) 11.448 34.733 ( -7.208 -10.684 10.591) 16.682 34.733 ( 7.208 -10.684 10.591) 16.682 35.248 ( -6.406 3.531 -6.614) 9.862 35.248 ( 6.406 3.531 -6.614) 9.862 35.728 ( -3.526 8.842 -2.315) 9.797 35.728 ( 3.526 8.842 -2.315) 9.797 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 0.000 9.594 21.089) 23.169 2.940 ( 0.000 15.320 21.509) 26.407 3.599 ( 0.000 3.903 7.224) 8.211 3.692 ( 0.000 3.365 4.826) 5.883 3.883 ( 0.000 15.540 2.165) 15.690 3.953 ( 0.000 7.283 7.500) 10.454 4.277 ( 0.000 1.917 -1.000) 2.162 4.341 ( 0.000 9.671 4.118) 10.511 4.542 ( 0.000 0.811 5.876) 5.932 4.602 ( 0.000 0.848 14.585) 14.609 4.693 ( 0.000 -10.068 -8.118) 12.933 4.878 ( 0.000 3.211 3.413) 4.685 4.944 ( 0.000 -4.735 4.354) 6.432 5.001 ( 0.000 0.827 -1.693) 1.884 5.262 ( 0.000 4.823 -0.430) 4.843 5.418 ( 0.000 0.105 -6.801) 6.802 5.497 ( 0.000 7.525 0.467) 7.540 5.664 ( 0.000 -12.291 0.877) 12.322 6.019 ( 0.000 -2.344 -1.574) 2.823 6.093 ( 0.000 -9.080 -9.843) 13.391 6.204 ( 0.000 -10.368 -5.539) 11.755 6.405 ( 0.000 3.256 0.863) 3.369 6.534 ( 0.000 -7.742 -9.435) 12.205 6.700 ( 0.000 -7.060 -1.641) 7.248 6.883 ( 0.000 -7.156 -3.877) 8.139 7.072 ( 0.000 -2.999 2.479) 3.891 7.352 ( 0.000 -1.517 6.257) 6.439 7.566 ( 0.000 1.941 -10.401) 10.580 9.045 ( 0.000 9.811 7.173) 12.154 9.458 ( 0.000 5.377 -1.409) 5.559 9.747 ( 0.000 2.594 -4.650) 5.324 10.055 ( 0.000 -4.800 -10.979) 11.982 11.299 ( 0.000 -1.638 -5.177) 5.430 11.330 ( 0.000 -1.667 -2.801) 3.260 11.646 ( 0.000 -1.578 -6.592) 6.778 11.676 ( 0.000 -1.532 -7.298) 7.457 13.459 ( 0.000 8.647 1.392) 8.758 13.511 ( 0.000 10.652 0.840) 10.685 14.303 ( 0.000 -4.462 0.509) 4.491 14.307 ( 0.000 -5.274 0.618) 5.310 14.594 ( 0.000 -0.705 3.613) 3.681 14.614 ( 0.000 -3.448 3.609) 4.992 14.804 ( 0.000 -1.048 1.926) 2.192 14.836 ( 0.000 -4.916 -0.108) 4.917 17.227 ( 0.000 0.532 2.361) 2.420 17.231 ( 0.000 -0.583 2.066) 2.147 17.265 ( 0.000 -1.784 0.849) 1.975 17.364 ( 0.000 -4.505 -0.334) 4.518 17.752 ( 0.000 -0.790 1.357) 1.571 17.787 ( 0.000 -2.315 -0.507) 2.370 17.799 ( 0.000 -3.377 -1.587) 3.732 17.815 ( 0.000 -1.372 -0.527) 1.470 20.059 ( 0.000 5.272 -0.745) 5.325 20.166 ( 0.000 10.483 -5.497) 11.837 20.458 ( 0.000 -1.844 5.253) 5.567 20.709 ( 0.000 -3.774 -3.113) 4.892 28.731 ( 0.000 0.261 -0.170) 0.311 28.802 ( 0.000 -1.503 -2.048) 2.541 29.273 ( 0.000 0.638 3.469) 3.527 29.351 ( 0.000 -1.554 0.965) 1.829 30.405 ( 0.000 0.722 6.833) 6.871 30.562 ( 0.000 -3.231 2.149) 3.880 31.567 ( 0.000 2.170 -3.975) 4.529 31.775 ( 0.000 -3.690 -11.205) 11.797 33.616 ( 0.000 0.496 11.940) 11.950 33.709 ( 0.000 5.517 11.088) 12.385 34.242 ( 0.000 -13.235 15.157) 20.122 34.728 ( 0.000 -18.230 3.044) 18.482 35.255 ( 0.000 7.658 -1.490) 7.801 35.373 ( 0.000 3.460 -0.740) 3.538 36.004 ( 0.000 6.866 -8.243) 10.728 36.006 ( 0.000 5.716 -7.002) 9.039 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.17 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -6.067 8.276 20.517) 22.940 2.999 ( 3.202 15.166 16.647) 22.746 3.440 ( -13.443 2.110 6.794) 15.210 3.649 ( -3.236 5.955 7.088) 9.807 3.827 ( -0.280 16.250 1.712) 16.343 3.999 ( 0.044 2.545 4.169) 4.884 4.133 ( -14.740 -0.655 -0.601) 14.767 4.327 ( -11.179 -3.712 -9.960) 15.426 4.509 ( 2.201 -0.819 0.483) 2.398 4.555 ( -7.555 5.782 10.274) 14.002 4.623 ( 0.050 -1.762 2.654) 3.186 4.827 ( -4.423 4.306 3.024) 6.874 4.995 ( -1.105 -0.073 4.004) 4.155 5.109 ( 17.808 2.307 3.481) 18.291 5.328 ( -7.763 -4.257 4.636) 9.994 5.380 ( 11.360 -1.660 -2.065) 11.665 5.655 ( 7.879 3.895 1.839) 8.979 5.751 ( 13.515 -0.350 -6.524) 15.011 5.933 ( -0.567 -5.351 2.479) 5.924 6.133 ( 5.540 -4.037 -2.420) 7.269 6.381 ( -2.135 2.587 0.130) 3.356 6.455 ( 1.697 -10.636 -15.783) 19.108 6.622 ( -0.261 -3.269 -1.886) 3.783 6.677 ( 11.105 -2.642 -8.312) 14.120 6.856 ( 2.379 -7.768 3.310) 8.772 7.041 ( -2.103 -3.074 1.063) 3.873 7.356 ( 0.563 -1.348 5.273) 5.471 7.610 ( 2.640 -0.406 -8.214) 8.637 9.010 ( -3.593 11.742 6.092) 13.707 9.413 ( -5.517 7.085 -6.066) 10.837 9.719 ( -0.753 -3.105 -0.132) 3.198 10.032 ( -2.662 -7.886 -10.445) 13.356 11.293 ( 0.062 -1.546 -4.769) 5.013 11.338 ( 0.356 -1.198 -4.695) 4.858 11.629 ( -1.685 -2.179 -6.103) 6.695 11.672 ( -0.660 -2.272 -7.140) 7.522 13.462 ( 0.283 9.577 1.554) 9.706 13.513 ( 0.052 11.087 0.718) 11.110 14.271 ( -2.648 -3.489 0.385) 4.397 14.283 ( -2.440 -5.035 0.123) 5.596 14.631 ( 3.082 -1.654 3.746) 5.125 14.652 ( 3.594 -2.511 3.384) 5.539 14.809 ( 1.342 -2.778 2.653) 4.069 14.874 ( 2.815 -4.514 -0.431) 5.337 17.203 ( -1.889 0.403 1.123) 2.234 17.215 ( -1.302 0.861 1.881) 2.445 17.292 ( 1.829 -2.556 1.817) 3.630 17.355 ( -0.748 -3.909 0.796) 4.059 17.681 ( -4.793 0.596 0.666) 4.876 17.731 ( -4.246 -1.812 -1.658) 4.905 17.824 ( 1.244 -3.130 -0.135) 3.370 17.853 ( 1.711 -4.121 -0.592) 4.501 20.069 ( 0.968 5.748 -0.540) 5.853 20.167 ( -0.084 10.486 -4.697) 11.490 20.463 ( 0.664 -2.353 4.631) 5.237 20.689 ( -2.104 -3.731 -2.842) 5.141 28.749 ( 1.833 0.631 0.111) 1.942 28.832 ( 2.822 -1.406 -2.245) 3.870 29.212 ( -5.475 0.218 3.056) 6.274 29.297 ( -4.988 -2.041 0.627) 5.425 30.522 ( 11.287 1.351 6.158) 12.928 30.693 ( 12.404 -3.101 0.808) 12.811 31.516 ( -5.316 2.492 -3.255) 6.713 31.718 ( -5.875 -3.211 -10.402) 12.371 33.627 ( 1.161 0.409 11.976) 12.039 33.718 ( 0.695 4.174 10.074) 10.927 34.249 ( 0.963 -14.277 14.944) 20.690 34.674 ( -5.330 -18.585 4.667) 19.890 35.269 ( 2.085 9.433 -2.386) 9.951 35.424 ( 4.137 4.083 -2.132) 6.191 35.943 ( -4.583 6.877 -6.654) 10.610 35.998 ( -2.061 5.154 -6.452) 8.511 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.33 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 4.509 5.335 14.086) 15.722 3.058 ( 2.572 11.595 6.838) 13.705 3.198 ( -10.034 0.015 4.589) 11.034 3.557 ( -12.938 5.219 3.991) 14.510 3.742 ( -12.054 2.173 -0.496) 12.258 3.811 ( -5.151 7.952 4.237) 10.379 3.994 ( 0.807 -2.574 2.230) 3.500 4.150 ( -7.282 -3.652 -5.250) 9.692 4.404 ( -3.275 11.417 -1.846) 12.020 4.480 ( -3.215 5.823 -2.971) 7.285 4.707 ( 2.978 -1.098 3.758) 4.919 4.764 ( -2.878 1.739 4.938) 5.974 4.987 ( 2.341 -1.998 11.175) 11.591 5.206 ( -5.190 -6.046 6.591) 10.341 5.470 ( 15.397 3.022 7.781) 17.514 5.606 ( 10.863 -6.870 -4.157) 13.509 5.831 ( 11.350 -1.158 0.894) 11.444 5.935 ( 4.216 0.807 0.196) 4.297 6.008 ( 5.195 4.652 -10.542) 12.640 6.225 ( -2.554 7.429 -4.147) 8.883 6.317 ( -5.473 -5.032 -4.759) 8.828 6.403 ( -6.695 -7.377 -8.268) 12.946 6.541 ( 8.251 2.385 7.709) 11.541 6.800 ( 1.921 -3.302 7.157) 8.113 6.977 ( 0.882 -4.153 1.344) 4.454 7.143 ( 8.000 2.572 -1.824) 8.599 7.422 ( 7.960 -1.971 -0.991) 8.260 7.599 ( -3.439 -1.830 -6.051) 7.197 8.937 ( -1.938 12.903 3.159) 13.425 9.243 ( -11.527 5.425 -8.157) 15.127 9.753 ( 4.122 -10.804 -0.257) 11.566 9.962 ( -4.264 -12.889 -7.020) 15.284 11.309 ( 1.360 -0.930 -5.783) 6.013 11.344 ( 0.374 0.582 -7.174) 7.207 11.590 ( -1.743 -4.250 -4.981) 6.776 11.642 ( -2.426 -3.869 -6.269) 7.756 13.472 ( 0.856 11.407 1.584) 11.548 13.509 ( -0.539 12.132 0.772) 12.168 14.221 ( -2.054 -3.089 -0.080) 3.711 14.230 ( -2.477 -4.345 -0.386) 5.016 14.697 ( 3.381 -1.959 3.886) 5.511 14.721 ( 2.742 -1.126 3.273) 4.416 14.856 ( 3.137 -4.654 2.656) 6.209 14.917 ( 1.194 -5.392 -0.041) 5.522 17.170 ( -1.379 1.818 0.803) 2.419 17.182 ( -1.823 1.927 1.216) 2.918 17.323 ( 1.246 -3.115 2.358) 4.101 17.344 ( -0.281 -3.501 2.554) 4.342 17.603 ( -2.741 1.354 -0.318) 3.073 17.644 ( -4.215 -0.888 -1.640) 4.609 17.844 ( 0.960 -4.669 -0.135) 4.769 17.869 ( 0.064 -5.553 -0.649) 5.591 20.094 ( 1.626 6.978 -0.232) 7.168 20.157 ( -1.032 9.937 -2.495) 10.297 20.492 ( 2.500 -3.139 2.426) 4.689 20.632 ( -3.632 -3.621 -1.940) 5.484 28.802 ( 3.594 1.449 0.509) 3.908 28.892 ( 2.457 -0.167 -2.181) 3.290 29.103 ( -4.492 -1.445 2.147) 5.184 29.188 ( -5.691 -3.022 -0.244) 6.448 30.796 ( 15.981 2.441 4.181) 16.698 30.985 ( 16.548 -2.715 -2.216) 16.915 31.360 ( -10.805 3.030 -1.241) 11.291 31.552 ( -11.067 -2.441 -8.256) 14.022 33.661 ( 2.198 0.017 11.333) 11.544 33.725 ( -0.224 1.884 9.106) 9.302 34.290 ( 3.541 -16.504 13.638) 21.701 34.540 ( -7.923 -18.711 7.701) 21.730 35.343 ( 5.347 11.786 -4.201) 13.607 35.490 ( 1.517 7.929 -5.411) 9.719 35.856 ( -3.166 5.208 -3.252) 6.908 35.935 ( -4.161 3.777 -4.362) 7.114 ======================= Grid point 213 (76/96) ======================= q-point: (-0.50 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -11.568 1.588 6.881) 13.553 2.980 ( 11.568 1.588 6.881) 13.553 3.200 ( -12.561 4.540 -1.603) 13.452 3.200 ( 12.561 4.540 -1.603) 13.452 3.720 ( -3.645 5.170 7.130) 9.531 3.720 ( 3.645 5.170 7.130) 9.531 4.044 ( -4.011 -1.814 -0.537) 4.435 4.044 ( 4.011 -1.814 -0.537) 4.435 4.411 ( -2.972 11.585 -4.265) 12.698 4.411 ( 2.972 11.585 -4.265) 12.698 4.733 ( -0.884 -0.396 4.893) 4.988 4.733 ( 0.884 -0.396 4.893) 4.988 5.085 ( -6.690 -6.022 10.782) 14.046 5.085 ( 6.690 -6.022 10.782) 14.046 5.686 ( -5.639 -1.106 -1.733) 6.002 5.686 ( 5.639 -1.106 -1.733) 6.002 5.978 ( -0.419 -3.091 -1.089) 3.304 5.978 ( 0.419 -3.091 -1.089) 3.304 6.110 ( -5.209 6.713 -5.075) 9.897 6.110 ( 5.209 6.713 -5.075) 9.897 6.255 ( -4.465 -1.685 -5.145) 7.018 6.255 ( 4.465 -1.685 -5.145) 7.018 6.776 ( -6.548 -4.024 9.304) 12.068 6.776 ( 6.548 -4.024 9.304) 12.068 7.071 ( -10.145 4.138 1.855) 11.113 7.071 ( 10.145 4.138 1.855) 11.113 7.552 ( -2.725 0.150 -4.942) 5.646 7.552 ( 2.725 0.150 -4.942) 5.646 9.012 ( -9.915 6.875 -3.534) 12.573 9.012 ( 9.915 6.875 -3.534) 12.573 9.861 ( -6.102 -14.387 -3.587) 16.034 9.861 ( 6.102 -14.387 -3.587) 16.034 11.338 ( -1.260 0.954 -7.514) 7.679 11.338 ( 1.260 0.954 -7.514) 7.679 11.591 ( -2.028 -5.395 -4.912) 7.573 11.591 ( 2.028 -5.395 -4.912) 7.573 13.492 ( -1.062 12.528 1.199) 12.630 13.492 ( 1.062 12.528 1.199) 12.630 14.202 ( -0.231 -3.655 -0.420) 3.686 14.202 ( 0.231 -3.655 -0.420) 3.686 14.741 ( -0.737 -1.165 3.622) 3.876 14.741 ( 0.737 -1.165 3.622) 3.876 14.910 ( -1.909 -5.692 1.339) 6.152 14.910 ( 1.909 -5.692 1.339) 6.152 17.158 ( -0.345 2.567 0.925) 2.750 17.158 ( 0.345 2.567 0.925) 2.750 17.339 ( -0.463 -3.422 2.823) 4.460 17.339 ( 0.463 -3.422 2.823) 4.460 17.588 ( -1.253 0.504 -1.184) 1.796 17.588 ( 1.253 0.504 -1.184) 1.796 17.861 ( -0.761 -5.708 -0.440) 5.775 17.861 ( 0.761 -5.708 -0.440) 5.775 20.128 ( -1.762 8.544 -0.652) 8.748 20.128 ( 1.762 8.544 -0.652) 8.748 20.556 ( -3.886 -3.468 -0.188) 5.212 20.556 ( 3.886 -3.468 -0.188) 5.212 28.878 ( -3.606 2.041 -0.010) 4.143 28.878 ( 3.606 2.041 -0.010) 4.143 29.094 ( -3.389 -3.740 -0.191) 5.051 29.094 ( 3.389 -3.740 -0.191) 5.051 31.104 ( -15.083 3.125 1.285) 15.457 31.104 ( 15.083 3.125 1.285) 15.457 31.298 ( -14.991 -2.325 -5.237) 16.049 31.298 ( 14.991 -2.325 -5.237) 16.049 33.704 ( -1.917 0.298 9.939) 10.127 33.704 ( 1.917 0.298 9.939) 10.127 34.392 ( -6.854 -18.128 10.865) 22.218 34.392 ( 6.854 -18.128 10.865) 22.218 35.452 ( -4.934 12.231 -6.227) 14.585 35.452 ( 4.934 12.231 -6.227) 14.585 35.858 ( -2.996 2.843 -2.182) 4.672 35.858 ( 2.996 2.843 -2.182) 4.672 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 0.000 9.718 17.965) 20.425 3.200 ( 0.000 6.954 20.511) 21.658 3.633 ( 0.000 1.089 8.365) 8.436 3.670 ( 0.000 -2.417 7.479) 7.860 4.004 ( 0.000 -1.823 6.654) 6.899 4.041 ( 0.000 -3.440 5.255) 6.280 4.430 ( 0.000 0.724 -10.284) 10.310 4.443 ( 0.000 7.790 -9.308) 12.138 4.534 ( 0.000 5.957 3.296) 6.808 4.573 ( 0.000 0.221 0.696) 0.730 4.790 ( 0.000 5.766 10.074) 11.608 4.866 ( 0.000 -2.383 9.931) 10.213 4.961 ( 0.000 5.172 -0.161) 5.174 5.030 ( 0.000 0.973 0.826) 1.276 5.369 ( 0.000 -4.173 -5.341) 6.778 5.386 ( 0.000 -3.435 0.591) 3.485 5.498 ( 0.000 8.605 -2.139) 8.867 5.703 ( 0.000 10.471 -7.900) 13.117 5.815 ( 0.000 -15.314 -7.942) 17.251 5.940 ( 0.000 -10.134 -11.487) 15.319 6.032 ( 0.000 0.904 3.075) 3.205 6.204 ( 0.000 -15.222 -0.227) 15.224 6.488 ( 0.000 4.165 2.583) 4.901 6.576 ( 0.000 -4.126 2.886) 5.035 6.911 ( 0.000 4.246 0.034) 4.246 7.000 ( 0.000 -3.826 1.457) 4.094 7.394 ( 0.000 4.763 2.505) 5.381 7.518 ( 0.000 -5.446 -2.974) 6.206 9.275 ( 0.000 10.654 4.354) 11.509 9.455 ( 0.000 -5.146 2.973) 5.943 9.835 ( 0.000 4.997 -12.887) 13.822 9.945 ( 0.000 -5.250 -12.756) 13.794 11.289 ( 0.000 0.442 -1.868) 1.920 11.304 ( 0.000 -0.875 -1.161) 1.454 11.623 ( 0.000 -0.317 -7.876) 7.882 11.638 ( 0.000 -1.606 -8.462) 8.614 13.654 ( 0.000 8.280 2.027) 8.525 13.705 ( 0.000 5.226 0.675) 5.269 14.172 ( 0.000 -5.305 2.539) 5.881 14.185 ( 0.000 -5.294 1.907) 5.627 14.568 ( 0.000 -0.558 4.618) 4.652 14.576 ( 0.000 -0.878 4.009) 4.104 14.779 ( 0.000 -0.880 -1.179) 1.472 14.781 ( 0.000 -0.813 -0.505) 0.957 17.217 ( 0.000 -0.425 2.634) 2.668 17.221 ( 0.000 -0.783 2.632) 2.746 17.260 ( 0.000 1.185 0.096) 1.189 17.297 ( 0.000 -2.211 -0.262) 2.226 17.722 ( 0.000 -0.731 -0.063) 0.734 17.737 ( 0.000 -1.914 -0.603) 2.007 17.778 ( 0.000 0.316 0.015) 0.316 17.792 ( 0.000 -0.894 -0.075) 0.897 20.181 ( 0.000 5.718 0.571) 5.747 20.275 ( 0.000 -1.631 -0.830) 1.830 20.480 ( 0.000 5.209 -2.079) 5.608 20.608 ( 0.000 -5.665 -4.152) 7.024 28.743 ( 0.000 0.876 -0.406) 0.966 28.769 ( 0.000 -1.481 -1.109) 1.850 29.292 ( 0.000 1.084 2.000) 2.275 29.319 ( 0.000 -1.421 1.104) 1.799 30.434 ( 0.000 2.051 5.160) 5.553 30.491 ( 0.000 -3.168 3.453) 4.686 31.623 ( 0.000 3.035 -6.020) 6.742 31.695 ( 0.000 -3.660 -8.607) 9.353 33.674 ( 0.000 4.888 14.677) 15.470 33.785 ( 0.000 -2.330 14.564) 14.750 34.096 ( 0.000 3.979 9.433) 10.238 34.350 ( 0.000 -16.298 4.946) 17.032 35.387 ( 0.000 4.157 -1.598) 4.453 35.424 ( 0.000 0.655 -1.280) 1.438 36.093 ( 0.000 2.251 -7.501) 7.832 36.098 ( 0.000 1.949 -8.278) 8.505 ======================= Grid point 218 (78/96) ======================= q-point: ( 0.17 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -8.576 10.765 16.460) 21.456 3.207 ( -3.293 -1.358 15.444) 15.849 3.489 ( -9.440 8.382 4.912) 13.547 3.681 ( 0.135 -3.345 9.312) 9.896 3.913 ( -11.085 -4.337 4.356) 12.676 3.973 ( -6.633 -6.881 5.590) 11.072 4.190 ( -10.392 8.188 -7.529) 15.222 4.292 ( -12.991 -1.420 -9.201) 15.982 4.648 ( 3.629 12.188 -1.529) 12.808 4.723 ( -2.379 7.146 12.352) 14.468 4.738 ( 5.031 7.871 0.418) 9.351 4.945 ( 1.117 8.088 3.199) 8.769 4.971 ( -2.210 -5.883 -0.254) 6.289 5.098 ( 2.294 -2.985 9.112) 9.859 5.137 ( 7.042 -4.606 10.017) 13.082 5.262 ( -3.741 -12.107 -5.064) 13.646 5.746 ( 3.367 6.589 -3.992) 8.408 5.853 ( 12.035 -0.036 -6.980) 13.913 5.901 ( 5.565 3.436 -8.243) 10.522 6.020 ( 10.775 -5.423 -5.877) 13.418 6.189 ( 7.052 -3.221 -0.663) 7.781 6.399 ( 22.152 -13.725 -8.099) 27.289 6.485 ( 1.187 2.729 2.058) 3.618 6.571 ( 1.604 -3.253 0.543) 3.667 6.878 ( -3.693 3.875 2.830) 6.055 6.964 ( -3.723 -4.017 1.636) 5.716 7.413 ( 2.573 5.935 3.452) 7.332 7.549 ( 2.874 -5.355 -1.529) 6.267 9.260 ( -1.769 11.208 3.793) 11.964 9.455 ( -0.413 -5.328 0.940) 5.426 9.715 ( -11.109 4.789 -9.278) 15.245 9.862 ( -7.991 -7.746 -10.890) 15.571 11.287 ( 0.355 0.795 -2.793) 2.926 11.313 ( 0.841 -1.265 -2.667) 3.069 11.598 ( -2.552 -0.268 -8.021) 8.422 11.621 ( -1.886 -2.115 -8.392) 8.857 13.676 ( 2.190 9.146 1.981) 9.611 13.726 ( 1.939 6.390 0.619) 6.706 14.146 ( -2.566 -5.681 2.111) 6.581 14.161 ( -2.395 -5.690 1.439) 6.339 14.600 ( 3.122 -0.343 4.510) 5.496 14.614 ( 3.666 -1.304 3.824) 5.455 14.776 ( 0.413 0.078 0.329) 0.533 14.805 ( 1.428 -2.350 -0.706) 2.839 17.211 ( -0.279 0.508 1.901) 1.987 17.227 ( 0.268 -0.460 2.899) 2.948 17.255 ( -0.348 0.240 0.281) 0.508 17.290 ( -0.646 -2.384 0.346) 2.494 17.697 ( -2.170 1.113 0.183) 2.446 17.717 ( -2.085 0.023 -0.906) 2.273 17.765 ( -1.084 -1.753 -0.043) 2.062 17.780 ( -1.060 -2.517 -0.227) 2.741 20.198 ( 1.740 5.978 0.473) 6.244 20.294 ( 1.816 -1.090 -1.301) 2.485 20.460 ( -1.853 4.535 -1.302) 5.069 20.587 ( -2.119 -5.720 -3.722) 7.145 28.768 ( 2.555 1.180 -0.343) 2.835 28.799 ( 2.955 -1.585 -1.201) 3.562 29.225 ( -6.077 1.018 1.664) 6.382 29.255 ( -5.830 -1.760 0.813) 6.144 30.562 ( 12.258 2.437 4.364) 13.238 30.624 ( 12.591 -3.195 2.447) 13.219 31.576 ( -4.900 3.105 -5.256) 7.828 31.646 ( -5.106 -3.378 -7.797) 9.913 33.683 ( 1.076 4.965 13.908) 14.807 33.794 ( 0.984 -1.534 13.141) 13.267 34.062 ( -3.256 1.703 9.979) 10.634 34.295 ( -5.333 -16.014 5.596) 17.782 35.433 ( 4.702 5.283 -1.751) 7.286 35.482 ( 5.535 0.616 -1.665) 5.813 36.045 ( -4.563 2.752 -7.214) 8.969 36.064 ( -3.637 1.020 -7.071) 8.016 ======================= Grid point 219 (79/96) ======================= q-point: ( 0.33 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -0.052 7.939 9.719) 12.550 3.102 ( -4.099 -7.113 5.911) 10.116 3.302 ( -11.310 10.361 -0.370) 15.343 3.526 ( -21.638 -9.795 -4.418) 24.159 3.740 ( 2.938 5.891 11.006) 12.824 3.869 ( -2.817 -2.933 7.386) 8.432 4.050 ( -6.018 2.322 1.595) 6.645 4.086 ( -6.733 -1.982 -1.713) 7.225 4.670 ( 0.563 9.568 5.267) 10.936 4.714 ( 0.484 9.176 1.957) 9.395 4.769 ( -0.586 6.474 3.181) 7.238 4.813 ( -6.374 0.260 4.514) 7.815 4.985 ( 2.372 5.600 7.945) 10.006 5.144 ( -0.770 5.310 8.689) 10.212 5.312 ( 7.696 -17.901 -6.314) 20.483 5.399 ( 9.043 -11.632 -1.530) 14.813 5.853 ( 8.233 3.546 0.789) 8.999 5.955 ( 2.894 -0.829 -6.599) 7.254 6.005 ( 6.553 -1.730 -5.108) 8.487 6.119 ( 1.056 -6.616 -9.184) 11.368 6.408 ( 0.546 4.374 1.237) 4.578 6.478 ( -3.648 6.340 0.288) 7.320 6.550 ( 8.435 4.718 3.238) 10.193 6.739 ( -4.253 -4.005 6.685) 8.878 6.920 ( 7.255 -0.127 -1.506) 7.411 7.041 ( 25.570 -10.584 -10.629) 29.645 7.470 ( 0.135 6.648 1.337) 6.783 7.578 ( -1.245 -2.326 -2.197) 3.433 9.209 ( -2.653 12.023 2.534) 12.571 9.403 ( -8.169 6.561 -5.932) 12.040 9.497 ( -5.694 -8.921 2.046) 10.779 9.686 ( -9.055 -12.770 -4.806) 16.376 11.317 ( 2.824 1.445 -5.420) 6.280 11.348 ( 3.047 -0.731 -5.573) 6.394 11.526 ( -4.623 -0.792 -7.956) 9.236 11.561 ( -4.278 -3.334 -8.099) 9.748 13.732 ( 3.294 11.601 1.822) 12.196 13.770 ( 2.142 10.245 0.753) 10.493 14.084 ( -3.207 -7.970 1.291) 8.688 14.101 ( -3.435 -7.586 0.731) 8.359 14.676 ( 4.225 0.244 4.037) 5.849 14.699 ( 4.440 -1.300 3.220) 5.637 14.786 ( 0.267 -0.742 1.864) 2.024 14.822 ( -0.024 -3.450 0.472) 3.482 17.207 ( -0.121 1.742 1.357) 2.212 17.222 ( -0.711 1.801 1.715) 2.586 17.256 ( 0.396 -2.487 1.578) 2.971 17.276 ( -0.670 -2.827 1.438) 3.242 17.654 ( -1.865 3.361 0.004) 3.844 17.668 ( -2.465 2.757 -0.835) 3.791 17.746 ( -0.739 -4.350 -0.284) 4.421 17.757 ( -1.184 -4.760 -0.443) 4.925 20.245 ( 3.001 6.762 0.055) 7.398 20.333 ( 1.322 3.362 -2.742) 4.535 20.422 ( -1.114 -0.452 0.641) 1.362 20.530 ( -3.628 -5.835 -2.592) 7.344 28.839 ( 4.627 1.895 -0.165) 5.003 28.876 ( 4.811 -1.371 -1.262) 5.160 29.091 ( -7.057 0.568 0.974) 7.147 29.126 ( -6.873 -2.500 0.012) 7.314 30.856 ( 16.839 3.029 2.293) 17.262 30.922 ( 16.978 -3.101 0.042) 17.259 31.428 ( -10.484 3.247 -3.198) 11.432 31.495 ( -10.580 -2.922 -5.661) 12.350 33.720 ( 2.827 5.719 12.025) 13.613 33.818 ( 0.805 3.574 9.752) 10.417 33.996 ( -2.192 -6.899 11.495) 13.585 34.164 ( -7.543 -15.410 7.324) 18.655 35.558 ( 7.769 7.205 -2.544) 10.897 35.615 ( 7.502 2.278 -2.804) 8.327 35.928 ( -7.073 2.153 -5.235) 9.059 35.963 ( -6.471 -0.746 -5.210) 8.341 ======================= Grid point 220 (80/96) ======================= q-point: (-0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -9.422 5.045 2.913) 11.078 3.046 ( 9.422 5.045 2.913) 11.078 3.179 ( -9.351 -5.842 -2.977) 11.421 3.179 ( 9.351 -5.842 -2.977) 11.421 3.823 ( -4.049 7.810 10.078) 13.378 3.823 ( 4.049 7.810 10.078) 13.378 3.999 ( -1.938 -5.989 2.596) 6.809 3.999 ( 1.938 -5.989 2.596) 6.809 4.700 ( -2.433 9.065 3.382) 9.977 4.700 ( 2.433 9.065 3.382) 9.977 4.752 ( -0.683 2.065 5.113) 5.557 4.752 ( 0.683 2.065 5.113) 5.557 5.071 ( -5.466 8.880 6.443) 12.258 5.071 ( 5.466 8.880 6.443) 12.258 5.435 ( -4.148 -18.817 -6.015) 20.185 5.435 ( 4.148 -18.817 -6.015) 20.185 6.000 ( -3.634 3.634 -4.765) 7.008 6.000 ( 3.634 3.634 -4.765) 7.008 6.093 ( -3.636 -4.573 -5.779) 8.218 6.093 ( 3.636 -4.573 -5.779) 8.218 6.399 ( -2.443 11.040 4.075) 12.019 6.399 ( 2.443 11.040 4.075) 12.019 6.624 ( -5.128 -9.299 7.991) 13.290 6.624 ( 5.128 -9.299 7.991) 13.290 7.257 ( -17.267 10.915 -4.284) 20.872 7.257 ( 17.267 10.915 -4.284) 20.872 7.469 ( -11.831 -7.714 -7.686) 16.080 7.469 ( 11.831 -7.714 -7.686) 16.080 9.223 ( -5.676 12.606 0.583) 13.837 9.223 ( 5.676 12.606 0.583) 13.837 9.531 ( -6.260 -15.651 0.084) 16.857 9.531 ( 6.260 -15.651 0.084) 16.857 11.384 ( -2.492 3.359 -7.887) 8.928 11.384 ( 2.492 3.359 -7.887) 8.928 11.476 ( -2.655 -5.087 -6.983) 9.038 11.476 ( 2.655 -5.087 -6.983) 9.038 13.783 ( -1.246 13.968 1.395) 14.093 13.783 ( 1.246 13.968 1.395) 14.093 14.053 ( -0.665 -10.365 0.603) 10.404 14.053 ( 0.665 -10.365 0.603) 10.404 14.740 ( -1.503 1.296 3.187) 3.755 14.740 ( 1.503 1.296 3.187) 3.755 14.799 ( -1.862 -4.212 1.944) 4.998 14.799 ( 1.862 -4.212 1.944) 4.998 17.209 ( -0.420 2.301 1.303) 2.677 17.209 ( 0.420 2.301 1.303) 2.677 17.265 ( -0.508 -3.095 1.900) 3.667 17.265 ( 0.508 -3.095 1.900) 3.667 17.638 ( -0.400 3.934 -0.471) 3.982 17.638 ( 0.400 3.934 -0.471) 3.982 17.741 ( -0.340 -5.398 -0.451) 5.427 17.741 ( 0.340 -5.398 -0.451) 5.427 20.307 ( -3.107 7.863 -1.164) 8.534 20.307 ( 3.107 7.863 -1.164) 8.534 20.456 ( -3.650 -5.914 -0.867) 7.003 20.456 ( 3.650 -5.914 -0.867) 7.003 28.934 ( -3.462 3.141 -0.247) 4.681 28.934 ( 3.462 3.141 -0.247) 4.681 29.010 ( -3.368 -3.891 -0.314) 5.156 29.010 ( 3.368 -3.891 -0.314) 5.156 31.175 ( -15.312 3.316 -0.507) 15.675 31.175 ( 15.312 3.316 -0.507) 15.675 31.242 ( -15.248 -2.886 -2.805) 15.770 31.242 ( 15.248 -2.886 -2.805) 15.770 33.787 ( -3.535 7.704 9.734) 12.907 33.787 ( 3.535 7.704 9.734) 12.907 34.030 ( -5.423 -14.724 10.054) 18.636 34.030 ( 5.423 -14.724 10.054) 18.636 35.696 ( -3.606 9.695 -4.383) 11.234 35.696 ( 3.606 9.695 -4.383) 11.234 35.845 ( -2.992 -3.964 -3.040) 5.823 35.845 ( 2.992 -3.964 -3.040) 5.823 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 0.000 0.000 11.620) 11.620 2.927 ( 0.000 0.000 -5.806) 5.806 3.418 ( 0.000 0.000 5.247) 5.247 3.506 ( 0.000 0.000 -3.974) 3.974 3.715 ( 0.000 0.000 35.416) 35.416 4.143 ( 0.000 0.000 12.185) 12.185 4.201 ( 0.000 0.000 -11.852) 11.852 4.290 ( 0.000 0.000 -2.591) 2.591 4.679 ( 0.000 0.000 -0.306) 0.306 4.769 ( 0.000 0.000 -10.121) 10.121 4.861 ( 0.000 0.000 6.129) 6.129 4.867 ( 0.000 0.000 21.230) 21.230 4.936 ( 0.000 0.000 1.129) 1.129 5.012 ( 0.000 0.000 -6.880) 6.880 5.046 ( 0.000 0.000 -16.188) 16.188 5.145 ( 0.000 0.000 -7.790) 7.790 5.845 ( 0.000 0.000 11.872) 11.872 6.034 ( 0.000 0.000 -7.294) 7.294 6.153 ( 0.000 0.000 2.804) 2.804 6.224 ( 0.000 0.000 -4.940) 4.940 6.227 ( 0.000 0.000 7.237) 7.237 6.369 ( 0.000 0.000 14.761) 14.761 6.394 ( 0.000 0.000 -8.254) 8.254 6.717 ( 0.000 0.000 -20.417) 20.417 6.891 ( 0.000 0.000 -0.683) 0.683 6.969 ( 0.000 0.000 -9.557) 9.557 7.399 ( 0.000 0.000 11.318) 11.318 7.605 ( 0.000 0.000 -9.034) 9.034 8.992 ( 0.000 0.000 7.699) 7.699 9.103 ( 0.000 0.000 -3.310) 3.310 9.841 ( 0.000 0.000 7.290) 7.290 9.997 ( 0.000 0.000 -8.838) 8.838 11.264 ( 0.000 0.000 -2.084) 2.084 11.291 ( 0.000 0.000 -4.312) 4.312 11.626 ( 0.000 0.000 -1.076) 1.076 11.640 ( 0.000 0.000 -2.185) 2.185 13.246 ( 0.000 0.000 0.326) 0.326 13.247 ( 0.000 0.000 -0.016) 0.016 14.378 ( 0.000 0.000 1.235) 1.235 14.403 ( 0.000 0.000 -1.399) 1.399 14.662 ( 0.000 0.000 2.061) 2.061 14.688 ( 0.000 0.000 -0.762) 0.762 14.917 ( 0.000 0.000 4.442) 4.442 14.992 ( 0.000 0.000 -3.424) 3.424 17.249 ( 0.000 0.000 1.289) 1.289 17.257 ( 0.000 0.000 0.455) 0.455 17.380 ( 0.000 0.000 3.981) 3.981 17.470 ( 0.000 0.000 -5.228) 5.228 17.784 ( 0.000 0.000 1.245) 1.245 17.810 ( 0.000 0.000 -1.374) 1.374 17.879 ( 0.000 0.000 0.909) 0.909 17.905 ( 0.000 0.000 -1.798) 1.798 19.830 ( 0.000 0.000 2.859) 2.859 19.883 ( 0.000 0.000 -2.664) 2.664 20.633 ( 0.000 0.000 5.974) 5.974 20.731 ( 0.000 0.000 -4.159) 4.159 28.739 ( 0.000 0.000 1.423) 1.423 28.780 ( 0.000 0.000 -2.730) 2.730 29.351 ( 0.000 0.000 3.660) 3.660 29.397 ( 0.000 0.000 -1.145) 1.145 30.546 ( 0.000 0.000 6.454) 6.454 30.632 ( 0.000 0.000 -2.429) 2.429 31.520 ( 0.000 0.000 2.867) 2.867 31.641 ( 0.000 0.000 -9.698) 9.698 33.777 ( 0.000 0.000 4.690) 4.690 33.785 ( 0.000 0.000 3.554) 3.554 34.819 ( 0.000 0.000 6.575) 6.575 34.930 ( 0.000 0.000 -4.906) 4.906 35.412 ( 0.000 0.000 6.094) 6.094 35.435 ( 0.000 0.000 6.795) 6.795 35.554 ( 0.000 0.000 -8.667) 8.667 35.560 ( 0.000 0.000 -6.182) 6.182 ======================= Grid point 246 (82/96) ======================= q-point: ( 0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 2.393 0.000 10.416) 10.688 2.933 ( 0.435 0.000 -5.000) 5.019 3.421 ( -22.104 0.000 33.224) 39.905 3.424 ( 0.582 0.000 4.902) 4.937 3.505 ( -0.160 0.000 -3.647) 3.651 3.980 ( -22.635 0.000 -22.960) 32.242 4.158 ( 1.394 0.000 10.404) 10.497 4.299 ( 0.414 0.000 -3.668) 3.691 4.566 ( -14.877 0.000 5.477) 15.853 4.632 ( -17.517 0.000 -3.496) 17.863 4.685 ( 1.447 0.000 2.827) 3.175 4.815 ( 4.781 0.000 -10.684) 11.705 4.944 ( 0.604 0.000 2.170) 2.253 5.043 ( 3.068 0.000 -8.159) 8.717 5.344 ( 27.996 0.000 20.982) 34.986 5.586 ( 19.472 0.000 -3.115) 19.719 5.852 ( 2.017 0.000 9.371) 9.586 6.004 ( -12.137 0.000 -0.395) 12.143 6.011 ( -1.288 0.000 -2.994) 3.260 6.063 ( -15.243 0.000 -6.430) 16.544 6.269 ( 1.288 0.000 0.522) 1.390 6.406 ( 0.961 0.000 -12.202) 12.239 6.470 ( 9.794 0.000 14.421) 17.432 6.766 ( 6.201 0.000 -15.615) 16.801 6.945 ( 10.305 0.000 11.934) 15.767 7.224 ( 16.684 0.000 -16.611) 23.544 7.346 ( -4.748 0.000 10.624) 11.637 7.542 ( -6.001 0.000 -8.574) 10.465 8.871 ( -10.007 0.000 11.823) 15.490 9.071 ( -4.706 0.000 -8.643) 9.841 9.892 ( 4.476 0.000 6.976) 8.289 10.049 ( 4.276 0.000 -9.194) 10.140 11.254 ( -0.780 0.000 -1.938) 2.089 11.283 ( -0.539 0.000 -4.399) 4.431 11.640 ( 1.768 0.000 0.211) 1.780 11.671 ( 2.410 0.000 -2.682) 3.606 13.228 ( -1.481 0.000 0.566) 1.585 13.237 ( -1.178 0.000 -0.362) 1.232 14.328 ( -4.041 0.000 1.167) 4.207 14.352 ( -4.277 0.000 -1.314) 4.474 14.709 ( 3.898 0.000 1.885) 4.329 14.732 ( 3.560 0.000 -0.596) 3.609 14.947 ( 2.886 0.000 4.119) 5.030 15.016 ( 2.277 0.000 -3.208) 3.934 17.209 ( -3.933 0.000 1.005) 4.059 17.217 ( -3.293 0.000 0.383) 3.315 17.407 ( 1.871 0.000 3.099) 3.620 17.468 ( 0.295 0.000 -3.043) 3.058 17.694 ( -6.415 0.000 2.003) 6.721 17.743 ( -4.846 0.000 -3.098) 5.752 17.932 ( 3.413 0.000 1.520) 3.736 17.967 ( 3.672 0.000 -2.059) 4.210 19.845 ( 1.474 0.000 2.732) 3.104 19.894 ( 0.992 0.000 -2.334) 2.536 20.626 ( -0.588 0.000 5.314) 5.347 20.714 ( -1.694 0.000 -3.721) 4.088 28.757 ( 1.697 0.000 1.770) 2.452 28.802 ( 2.042 0.000 -2.909) 3.554 29.297 ( -4.745 0.000 3.577) 5.942 29.346 ( -4.626 0.000 -1.508) 4.865 30.639 ( 8.934 0.000 6.485) 11.040 30.735 ( 9.637 0.000 -3.335) 10.198 31.467 ( -5.322 0.000 2.997) 6.108 31.583 ( -5.729 0.000 -9.114) 10.765 33.814 ( 3.813 0.000 5.203) 6.451 33.833 ( 4.278 0.000 3.058) 5.258 34.826 ( 0.664 0.000 6.061) 6.098 34.921 ( -0.850 0.000 -3.737) 3.833 35.405 ( -2.841 0.000 5.984) 6.624 35.422 ( 1.011 0.000 4.709) 4.817 35.513 ( -4.555 0.000 -5.176) 6.895 35.545 ( -0.930 0.000 -7.930) 7.984 ======================= Grid point 247 (83/96) ======================= q-point: ( 0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 3.345 0.000 6.794) 7.572 2.934 ( -0.576 0.000 -2.394) 2.462 3.083 ( -9.792 0.000 21.120) 23.280 3.441 ( 1.215 0.000 3.681) 3.876 3.473 ( -25.627 0.000 -18.615) 31.674 3.495 ( -0.997 0.000 -1.823) 2.078 4.192 ( 2.027 0.000 5.413) 5.780 4.285 ( -1.967 0.000 -3.950) 4.413 4.318 ( -9.152 0.000 3.500) 9.799 4.367 ( -10.618 0.000 -1.674) 10.749 4.764 ( 6.510 0.000 7.353) 9.821 4.937 ( 2.424 0.000 -4.464) 5.080 4.953 ( 4.846 0.000 -1.163) 4.983 5.118 ( 3.973 0.000 -12.672) 13.280 5.726 ( -14.934 0.000 -1.186) 14.981 5.732 ( 6.724 0.000 11.500) 13.321 5.772 ( -12.877 0.000 -6.152) 14.271 5.797 ( 4.305 0.000 4.926) 6.542 5.978 ( 11.698 0.000 7.053) 13.659 6.063 ( 7.717 0.000 2.567) 8.132 6.253 ( -2.444 0.000 -0.473) 2.489 6.374 ( -4.426 0.000 -12.932) 13.668 6.710 ( 14.179 0.000 14.116) 20.008 6.952 ( 10.211 0.000 -9.327) 13.829 7.211 ( 15.213 0.000 14.962) 21.337 7.245 ( -4.939 0.000 7.910) 9.326 7.404 ( -7.663 0.000 -7.071) 10.426 7.485 ( 7.883 0.000 -12.469) 14.752 8.695 ( -5.642 0.000 9.472) 11.025 8.917 ( -10.496 0.000 -12.456) 16.289 9.981 ( 4.388 0.000 3.457) 5.586 10.105 ( 0.375 0.000 -8.966) 8.974 11.249 ( 0.614 0.000 -1.223) 1.368 11.279 ( 0.015 0.000 -3.910) 3.910 11.686 ( 2.501 0.000 0.761) 2.614 11.713 ( 1.554 0.000 -1.906) 2.459 13.198 ( -1.358 0.000 0.462) 1.434 13.208 ( -1.623 0.000 -0.519) 1.704 14.257 ( -2.794 0.000 0.684) 2.877 14.272 ( -3.445 0.000 -0.886) 3.557 14.780 ( 2.996 0.000 1.404) 3.309 14.794 ( 2.359 0.000 -0.054) 2.360 15.016 ( 3.806 0.000 2.819) 4.737 15.063 ( 1.957 0.000 -2.074) 2.852 17.131 ( -3.566 0.000 0.802) 3.655 17.139 ( -3.934 0.000 0.038) 3.934 17.439 ( 1.715 0.000 3.594) 3.982 17.495 ( 2.156 0.000 -1.159) 2.448 17.580 ( -4.921 0.000 1.959) 5.297 17.648 ( -4.725 0.000 -4.212) 6.330 17.989 ( 2.403 0.000 1.003) 2.604 18.016 ( 1.352 0.000 -1.704) 2.175 19.880 ( 1.949 0.000 2.108) 2.871 19.912 ( 0.652 0.000 -1.173) 1.342 20.618 ( -0.035 0.000 3.282) 3.282 20.672 ( -2.380 0.000 -2.267) 3.287 28.800 ( 2.546 0.000 1.958) 3.212 28.842 ( 1.527 0.000 -2.425) 2.866 29.207 ( -3.571 0.000 2.601) 4.418 29.249 ( -4.708 0.000 -1.711) 5.009 30.854 ( 12.317 0.000 5.814) 13.621 30.959 ( 12.398 0.000 -5.160) 13.429 31.325 ( -8.994 0.000 3.699) 9.725 31.432 ( -9.446 0.000 -7.662) 12.162 33.903 ( 4.560 0.000 5.187) 6.907 33.921 ( 3.991 0.000 3.186) 5.106 34.844 ( 1.200 0.000 4.531) 4.688 34.899 ( -1.378 0.000 -0.970) 1.686 35.346 ( -2.599 0.000 3.748) 4.561 35.407 ( -5.493 0.000 -2.626) 6.089 35.449 ( 1.696 0.000 1.349) 2.167 35.519 ( -1.621 0.000 -5.792) 6.014 ======================= Grid point 248 (84/96) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -2.361 0.000 1.878) 3.017 2.906 ( 2.361 0.000 1.878) 3.017 3.098 ( -11.240 0.000 0.307) 11.244 3.098 ( 11.240 0.000 0.307) 11.244 3.469 ( -1.540 0.000 1.237) 1.975 3.469 ( 1.540 0.000 1.237) 1.975 4.237 ( -2.610 0.000 -0.228) 2.620 4.237 ( 2.610 0.000 -0.228) 2.620 4.242 ( -1.540 0.000 0.006) 1.540 4.242 ( 1.540 0.000 0.006) 1.540 4.887 ( -4.906 0.000 6.850) 8.426 4.887 ( 4.906 0.000 6.850) 8.426 5.112 ( -6.533 0.000 -11.868) 13.548 5.112 ( 6.533 0.000 -11.868) 13.548 5.589 ( -3.360 0.000 -3.693) 4.993 5.589 ( 3.360 0.000 -3.693) 4.993 5.792 ( -2.069 0.000 5.734) 6.095 5.792 ( 2.069 0.000 5.734) 6.095 6.167 ( -5.506 0.000 4.779) 7.291 6.167 ( 5.506 0.000 4.779) 7.291 6.247 ( -8.250 0.000 -4.634) 9.462 6.247 ( 8.250 0.000 -4.634) 9.462 6.968 ( -9.956 0.000 9.074) 13.471 6.968 ( 9.956 0.000 9.074) 13.471 7.258 ( -6.793 0.000 -4.779) 8.306 7.258 ( 6.793 0.000 -4.779) 8.306 7.467 ( -9.180 0.000 5.585) 10.746 7.467 ( 9.180 0.000 5.585) 10.746 8.720 ( -7.752 0.000 -5.808) 9.686 8.720 ( 7.752 0.000 -5.808) 9.686 10.063 ( -3.881 0.000 -4.121) 5.661 10.063 ( 3.881 0.000 -4.121) 5.661 11.270 ( -1.047 0.000 -2.024) 2.279 11.270 ( 1.047 0.000 -2.024) 2.279 11.721 ( -0.823 0.000 -0.292) 0.873 11.721 ( 0.823 0.000 -0.292) 0.873 13.186 ( -0.309 0.000 -0.109) 0.328 13.186 ( 0.309 0.000 -0.109) 0.328 14.232 ( -0.422 0.000 -0.124) 0.440 14.232 ( 0.422 0.000 -0.124) 0.440 14.814 ( -0.379 0.000 0.696) 0.793 14.814 ( 0.379 0.000 0.696) 0.793 15.071 ( -1.347 0.000 0.352) 1.392 15.071 ( 1.347 0.000 0.352) 1.392 17.095 ( -0.225 0.000 0.407) 0.465 17.095 ( 0.225 0.000 0.407) 0.465 17.485 ( -2.996 0.000 4.268) 5.214 17.485 ( 2.996 0.000 4.268) 5.214 17.567 ( -3.393 0.000 -4.032) 5.270 17.567 ( 3.393 0.000 -4.032) 5.270 18.021 ( -0.776 0.000 -0.400) 0.874 18.021 ( 0.776 0.000 -0.400) 0.874 19.910 ( -0.913 0.000 0.648) 1.120 19.910 ( 0.913 0.000 0.648) 1.120 20.632 ( -1.511 0.000 0.317) 1.543 20.632 ( 1.511 0.000 0.317) 1.543 28.843 ( -1.495 0.000 0.240) 1.514 28.843 ( 1.495 0.000 0.240) 1.514 29.185 ( -1.440 0.000 -0.146) 1.447 29.185 ( 1.440 0.000 -0.146) 1.447 31.078 ( -8.452 0.000 2.121) 8.714 31.078 ( 8.452 0.000 2.121) 8.714 31.239 ( -8.385 0.000 -3.863) 9.233 31.239 ( 8.385 0.000 -3.863) 9.233 33.959 ( -0.574 0.000 4.240) 4.279 33.959 ( 0.574 0.000 4.240) 4.279 34.871 ( -1.477 0.000 2.074) 2.546 34.871 ( 1.477 0.000 2.074) 2.546 35.332 ( -1.671 0.000 0.613) 1.780 35.332 ( 1.671 0.000 0.613) 1.780 35.484 ( -1.903 0.000 -2.511) 3.150 35.484 ( 1.903 0.000 -2.511) 3.150 ======================= Grid point 252 (85/96) ======================= q-point: ( 0.00 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 0.000 13.526 11.046) 17.463 3.031 ( 0.000 8.821 0.389) 8.829 3.503 ( 0.000 7.298 3.795) 8.226 3.573 ( 0.000 5.898 -3.096) 6.661 3.791 ( 0.000 6.808 25.460) 26.354 4.119 ( 0.000 -1.277 5.657) 5.800 4.211 ( 0.000 0.093 -6.828) 6.829 4.272 ( 0.000 -2.049 -2.818) 3.484 4.651 ( 0.000 0.060 3.713) 3.713 4.754 ( 0.000 -1.506 -7.959) 8.101 4.831 ( 0.000 -0.698 14.947) 14.963 4.894 ( 0.000 -0.310 2.704) 2.722 4.946 ( 0.000 -1.445 2.738) 3.096 5.023 ( 0.000 0.456 -3.667) 3.695 5.111 ( 0.000 4.948 -13.569) 14.443 5.123 ( 0.000 -0.537 -8.325) 8.343 5.688 ( 0.000 -7.933 9.537) 12.405 5.828 ( 0.000 -9.851 -5.782) 11.423 6.164 ( 0.000 -5.829 3.318) 6.708 6.229 ( 0.000 -10.837 2.304) 11.079 6.311 ( 0.000 2.340 1.848) 2.982 6.366 ( 0.000 1.526 5.782) 5.980 6.375 ( 0.000 7.221 -4.133) 8.321 6.619 ( 0.000 -5.627 -15.880) 16.848 6.945 ( 0.000 2.573 1.462) 2.960 7.064 ( 0.000 5.547 -8.809) 10.410 7.381 ( 0.000 -0.602 6.929) 6.955 7.518 ( 0.000 -6.586 -4.884) 8.199 9.048 ( 0.000 5.072 8.221) 9.660 9.185 ( 0.000 6.965 -5.804) 9.066 9.817 ( 0.000 -2.369 6.337) 6.765 9.962 ( 0.000 -3.243 -8.692) 9.277 11.255 ( 0.000 -0.584 -1.395) 1.512 11.283 ( 0.000 -0.544 -3.762) 3.801 11.608 ( 0.000 -1.560 -1.302) 2.032 11.622 ( 0.000 -1.632 -2.490) 2.977 13.315 ( 0.000 6.101 0.545) 6.125 13.322 ( 0.000 6.797 -0.027) 6.797 14.365 ( 0.000 -1.314 0.816) 1.547 14.381 ( 0.000 -2.049 -0.873) 2.227 14.656 ( 0.000 -0.428 1.904) 1.951 14.678 ( 0.000 -0.844 -0.435) 0.950 14.894 ( 0.000 -2.218 3.262) 3.944 14.944 ( 0.000 -4.239 -2.065) 4.716 17.250 ( 0.000 0.122 1.116) 1.123 17.257 ( 0.000 -0.018 0.431) 0.431 17.355 ( 0.000 -2.156 3.453) 4.070 17.427 ( 0.000 -3.575 -3.797) 5.215 17.782 ( 0.000 -0.196 1.179) 1.195 17.805 ( 0.000 -0.448 -1.173) 1.256 17.850 ( 0.000 -2.521 0.282) 2.537 17.862 ( 0.000 -3.537 -1.045) 3.688 19.912 ( 0.000 6.962 0.597) 6.988 19.933 ( 0.000 4.458 -1.501) 4.704 20.613 ( 0.000 -1.879 5.646) 5.950 20.708 ( 0.000 -2.176 -4.163) 4.697 28.739 ( 0.000 -0.026 1.301) 1.301 28.776 ( 0.000 -0.376 -2.472) 2.501 29.343 ( 0.000 -0.632 3.235) 3.297 29.384 ( 0.000 -1.134 -0.996) 1.509 30.536 ( 0.000 -0.810 6.010) 6.065 30.615 ( 0.000 -1.513 -2.114) 2.599 31.522 ( 0.000 0.206 2.207) 2.217 31.628 ( 0.000 -1.111 -8.827) 8.896 33.777 ( 0.000 -0.342 4.321) 4.335 33.783 ( 0.000 0.937 3.928) 4.039 34.743 ( 0.000 -7.996 9.915) 12.737 34.918 ( 0.000 -4.306 -8.468) 9.500 35.260 ( 0.000 -5.546 5.537) 7.837 35.320 ( 0.000 -2.075 -0.781) 2.217 35.725 ( 0.000 9.428 -2.387) 9.725 35.740 ( 0.000 9.373 -3.870) 10.140 ======================= Grid point 253 (86/96) ======================= q-point: ( 0.17 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 0.929 11.831 9.468) 15.182 3.011 ( -2.032 6.278 2.530) 7.067 3.493 ( -6.910 5.448 10.078) 13.379 3.537 ( -12.031 10.873 16.552) 23.172 3.568 ( -1.566 5.902 -2.148) 6.474 3.979 ( -21.642 0.152 -19.988) 29.461 4.120 ( -0.315 -2.941 7.526) 8.086 4.232 ( -3.082 -4.226 -4.235) 6.730 4.604 ( -15.734 0.385 2.544) 15.943 4.630 ( -12.912 -2.305 -0.452) 13.124 4.702 ( 1.381 2.490 3.747) 4.706 4.837 ( 2.329 1.638 -8.086) 8.573 4.924 ( 3.019 0.414 4.535) 5.464 5.048 ( 5.307 0.998 -6.517) 8.463 5.369 ( 23.925 1.067 14.581) 28.038 5.564 ( 19.941 -2.995 -3.336) 20.439 5.677 ( -0.184 -5.955 5.276) 7.958 5.785 ( -3.010 -9.294 -6.578) 11.778 6.131 ( -7.384 -1.529 4.471) 8.767 6.212 ( -0.730 0.827 6.293) 6.389 6.259 ( -2.257 3.557 -7.161) 8.308 6.384 ( 0.533 -1.907 -10.017) 10.211 6.490 ( 7.202 3.223 6.809) 10.422 6.668 ( 9.814 -6.101 -8.243) 14.195 7.000 ( 6.644 2.316 7.066) 9.971 7.173 ( 5.578 -4.680 -5.149) 8.918 7.383 ( 2.432 3.376 -0.215) 4.166 7.478 ( -3.628 -4.398 -4.862) 7.492 8.950 ( -8.867 6.815 9.673) 14.786 9.127 ( -6.044 5.043 -8.458) 11.554 9.859 ( 3.665 -3.172 6.049) 7.751 9.999 ( 2.998 -4.629 -8.471) 10.108 11.246 ( -0.624 -0.566 -1.697) 1.895 11.271 ( -0.998 -0.770 -3.766) 3.972 11.618 ( 1.071 -2.037 -0.513) 2.358 11.640 ( 1.428 -2.630 -2.643) 3.993 13.304 ( -1.003 6.651 0.731) 6.766 13.314 ( -0.845 6.999 -0.279) 7.055 14.320 ( -3.709 -0.918 0.833) 3.911 14.337 ( -3.793 -1.466 -0.976) 4.181 14.702 ( 3.843 -0.624 1.771) 4.277 14.720 ( 3.493 -1.041 -0.131) 3.647 14.920 ( 2.612 -2.456 3.065) 4.717 14.969 ( 2.341 -4.162 -2.075) 5.206 17.214 ( -3.400 0.373 0.953) 3.551 17.221 ( -2.904 0.401 0.325) 2.950 17.385 ( 2.137 -1.994 2.674) 3.961 17.433 ( 0.754 -3.040 -2.085) 3.762 17.692 ( -6.232 -0.129 1.512) 6.414 17.729 ( -5.183 -1.126 -2.379) 5.813 17.898 ( 2.879 -2.840 1.066) 4.182 17.923 ( 3.179 -3.586 -1.400) 4.992 19.923 ( 1.133 6.604 0.816) 6.750 19.945 ( 1.156 4.681 -1.414) 5.024 20.607 ( -0.539 -1.835 5.018) 5.370 20.691 ( -1.599 -2.089 -3.738) 4.571 28.758 ( 1.841 0.101 1.611) 2.448 28.799 ( 2.187 -0.272 -2.662) 3.456 29.286 ( -5.077 -0.931 3.201) 6.074 29.330 ( -4.904 -1.398 -1.357) 5.277 30.634 ( 9.371 -0.397 5.982) 11.124 30.721 ( 9.944 -1.230 -2.917) 10.436 31.473 ( -5.025 0.508 2.358) 5.574 31.574 ( -5.373 -0.754 -8.280) 9.900 33.800 ( 2.422 -0.938 4.870) 5.519 33.815 ( 2.815 -0.809 3.235) 4.363 34.761 ( 1.937 -7.920 9.958) 12.870 34.937 ( 2.010 -3.936 -8.460) 9.545 35.196 ( -5.599 -4.988 7.298) 10.463 35.308 ( -2.134 -2.079 -4.150) 5.108 35.701 ( -1.476 9.797 -0.201) 9.910 35.743 ( -0.367 9.400 -4.185) 10.296 ======================= Grid point 254 (87/96) ======================= q-point: ( 0.33 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 1.513 6.420 6.464) 9.236 2.975 ( -0.020 4.323 5.515) 7.008 3.196 ( -11.635 8.544 10.958) 18.124 3.464 ( -20.749 -0.021 -11.434) 23.691 3.527 ( 0.937 8.643 2.453) 9.033 3.579 ( -4.792 8.060 -5.024) 10.637 4.129 ( 1.392 -4.367 3.332) 5.666 4.187 ( -1.549 -6.000 -3.001) 6.885 4.333 ( -10.326 0.467 3.208) 10.823 4.391 ( -10.753 0.060 -2.395) 11.016 4.775 ( 4.758 0.981 6.620) 8.212 4.914 ( 1.546 -1.521 0.511) 2.228 4.969 ( 3.980 1.451 -3.525) 5.511 5.118 ( 1.308 0.225 -9.681) 9.771 5.682 ( 0.705 0.539 1.935) 2.129 5.708 ( 1.892 3.392 -0.916) 3.990 5.787 ( 11.315 -2.093 9.231) 14.752 5.874 ( 8.214 -1.992 -1.084) 8.521 6.019 ( -1.420 1.743 5.188) 5.655 6.107 ( -4.753 4.893 2.493) 7.262 6.240 ( -2.181 -1.545 -4.933) 5.611 6.309 ( -6.240 -4.125 -10.180) 12.633 6.716 ( 14.517 0.708 13.104) 19.569 6.919 ( 11.174 -2.281 -6.027) 12.899 7.142 ( 5.021 -4.774 8.472) 10.944 7.209 ( 1.006 -5.249 2.515) 5.906 7.419 ( -0.494 1.883 -1.271) 2.324 7.480 ( 3.740 -0.160 -8.524) 9.310 8.785 ( -5.743 7.949 7.412) 12.292 8.963 ( -10.115 4.317 -10.555) 15.243 9.931 ( 3.514 -4.787 3.121) 6.709 10.037 ( 0.064 -6.250 -7.563) 9.812 11.241 ( 0.266 -0.533 -1.834) 1.928 11.259 ( -0.133 -1.504 -3.292) 3.622 11.643 ( 1.215 -3.870 -0.062) 4.057 11.662 ( 0.572 -4.366 -2.034) 4.851 13.283 ( -0.866 7.596 0.635) 7.671 13.293 ( -1.179 7.690 -0.331) 7.786 14.254 ( -2.621 -0.461 0.456) 2.700 14.265 ( -3.113 -0.782 -0.736) 3.293 14.774 ( 3.051 -0.619 1.434) 3.427 14.784 ( 2.564 -0.884 0.416) 2.744 14.983 ( 3.360 -3.104 2.168) 5.062 15.017 ( 2.066 -4.063 -1.480) 4.792 17.148 ( -2.918 1.475 0.779) 3.361 17.156 ( -3.255 1.445 0.073) 3.562 17.422 ( 1.839 -1.689 2.947) 3.862 17.460 ( 1.721 -3.160 -0.222) 3.605 17.582 ( -4.532 0.359 1.119) 4.682 17.630 ( -4.783 -1.326 -3.248) 5.931 17.945 ( 1.845 -3.827 0.759) 4.316 17.964 ( 1.098 -4.354 -1.200) 4.648 19.951 ( 1.499 5.977 0.948) 6.235 19.968 ( 0.904 5.019 -0.797) 5.162 20.600 ( -0.002 -1.761 3.059) 3.530 20.652 ( -2.269 -1.905 -2.329) 3.768 28.805 ( 2.797 0.480 1.804) 3.363 28.845 ( 1.945 0.241 -2.335) 3.048 29.187 ( -4.126 -1.736 2.422) 5.090 29.227 ( -5.068 -1.998 -1.613) 5.682 30.859 ( 12.856 0.468 5.278) 13.905 30.953 ( 12.935 -0.528 -4.556) 13.724 31.334 ( -8.993 0.878 3.082) 9.547 31.429 ( -9.304 -0.259 -6.938) 11.609 33.857 ( 2.920 -3.199 4.726) 6.410 33.871 ( 2.448 -3.314 3.110) 5.162 34.820 ( 4.252 -7.911 9.956) 13.409 34.997 ( 3.946 -6.713 -8.313) 11.390 35.068 ( -6.969 -0.930 8.848) 11.301 35.228 ( -5.842 -0.482 -7.634) 9.625 35.686 ( 0.029 9.824 1.018) 9.876 35.725 ( -1.305 9.508 -3.009) 10.058 ======================= Grid point 255 (88/96) ======================= q-point: (-0.50 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -1.549 6.447 2.167) 6.976 3.009 ( 1.549 6.447 2.167) 6.976 3.114 ( -9.155 1.590 0.371) 9.299 3.114 ( 9.155 1.590 0.371) 9.299 3.548 ( -1.093 8.668 0.636) 8.760 3.548 ( 1.093 8.668 0.636) 8.760 4.168 ( -1.867 -5.718 0.656) 6.051 4.168 ( 1.867 -5.718 0.656) 6.051 4.245 ( -2.958 0.846 -1.160) 3.288 4.245 ( 2.958 0.846 -1.159) 3.288 4.868 ( -4.381 -0.993 7.820) 9.019 4.868 ( 4.381 -0.993 7.820) 9.019 5.080 ( -5.007 -1.577 -11.643) 12.771 5.080 ( 5.007 -1.577 -11.643) 12.771 5.705 ( -1.824 9.882 1.387) 10.144 5.705 ( 1.824 9.882 1.387) 10.144 5.885 ( -3.382 5.628 2.523) 7.034 5.885 ( 3.382 5.628 2.523) 7.034 6.098 ( -1.884 -7.925 0.521) 8.163 6.098 ( 1.884 -7.925 0.521) 8.163 6.202 ( -1.637 -1.873 -2.685) 3.660 6.202 ( 1.637 -1.873 -2.685) 3.660 6.957 ( -7.532 -0.996 6.807) 10.201 6.957 ( 7.532 -0.996 6.807) 10.201 7.204 ( -2.380 -3.704 1.374) 4.612 7.204 ( 2.380 -3.704 1.374) 4.612 7.472 ( -3.700 -0.387 -0.548) 3.761 7.472 ( 3.700 -0.387 -0.548) 3.761 8.789 ( -6.038 6.315 -3.825) 9.538 8.789 ( 6.038 6.315 -3.825) 9.538 9.998 ( -3.370 -6.034 -3.391) 7.698 9.998 ( 3.370 -6.034 -3.391) 7.698 11.254 ( -0.639 -1.235 -2.204) 2.606 11.254 ( 0.639 -1.235 -2.204) 2.606 11.661 ( -0.609 -5.212 -0.843) 5.315 11.661 ( 0.609 -5.212 -0.843) 5.315 13.277 ( -0.303 8.089 0.109) 8.095 13.277 ( 0.303 8.089 0.109) 8.095 14.230 ( -0.318 -0.422 -0.171) 0.555 14.230 ( 0.318 -0.422 -0.171) 0.555 14.807 ( -0.268 -0.609 0.961) 1.169 14.807 ( 0.268 -0.609 0.961) 1.169 15.030 ( -1.032 -3.766 0.294) 3.916 15.030 ( 1.032 -3.766 0.294) 3.916 17.119 ( -0.210 2.088 0.421) 2.140 17.119 ( 0.210 2.088 0.421) 2.140 17.462 ( -1.947 -2.451 3.173) 4.457 17.462 ( 1.947 -2.451 3.173) 4.457 17.556 ( -2.289 -0.480 -2.770) 3.625 17.556 ( 2.289 -0.480 -2.770) 3.625 17.968 ( -0.568 -4.455 -0.267) 4.499 17.968 ( 0.568 -4.455 -0.267) 4.499 19.972 ( -0.537 5.422 0.308) 5.457 19.972 ( 0.537 5.422 0.308) 5.457 20.613 ( -1.466 -1.769 0.180) 2.305 20.613 ( 1.466 -1.769 0.180) 2.305 28.851 ( -1.466 0.806 0.181) 1.683 28.851 ( 1.466 0.806 0.181) 1.683 29.158 ( -1.406 -2.421 -0.165) 2.804 29.158 ( 1.406 -2.421 -0.165) 2.804 31.092 ( -8.613 1.277 1.838) 8.899 31.092 ( 8.613 1.277 1.838) 8.899 31.234 ( -8.511 -0.441 -3.474) 9.204 31.234 ( 8.511 -0.441 -3.474) 9.204 33.893 ( -0.459 -4.481 3.857) 5.930 33.893 ( 0.459 -4.481 3.857) 5.930 34.926 ( -6.530 -8.998 9.486) 14.615 34.926 ( 6.530 -8.998 9.486) 14.615 35.105 ( -6.246 1.877 -8.191) 10.470 35.105 ( 6.246 1.877 -8.191) 10.470 35.699 ( -1.195 9.589 -0.718) 9.690 35.699 ( 1.195 9.589 -0.718) 9.690 ======================= Grid point 259 (89/96) ======================= q-point: ( 0.00 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 0.000 12.413 11.823) 17.143 3.267 ( 0.000 16.800 11.000) 20.081 3.681 ( 0.000 7.881 1.327) 7.992 3.703 ( 0.000 4.536 -1.920) 4.925 3.988 ( 0.000 10.270 8.300) 13.205 4.083 ( 0.000 -2.328 5.612) 6.076 4.215 ( 0.000 -2.714 -4.652) 5.386 4.223 ( 0.000 0.790 -11.972) 11.998 4.623 ( 0.000 -9.277 2.693) 9.660 4.652 ( 0.000 -2.972 2.987) 4.214 4.874 ( 0.000 0.152 0.676) 0.693 4.897 ( 0.000 6.218 11.163) 12.778 4.927 ( 0.000 1.258 -3.822) 4.024 4.970 ( 0.000 -0.709 -0.829) 1.091 5.203 ( 0.000 6.016 -5.323) 8.032 5.212 ( 0.000 4.199 -9.903) 10.757 5.613 ( 0.000 -0.294 5.872) 5.879 5.669 ( 0.000 -6.170 -0.532) 6.193 5.970 ( 0.000 -11.725 -2.246) 11.939 5.984 ( 0.000 -10.851 -2.335) 11.099 6.221 ( 0.000 -6.499 5.958) 8.817 6.363 ( 0.000 -7.381 -8.346) 11.142 6.459 ( 0.000 3.752 4.674) 5.994 6.585 ( 0.000 0.723 -7.920) 7.953 6.970 ( 0.000 0.422 9.167) 9.177 7.101 ( 0.000 -1.846 -2.019) 2.736 7.413 ( 0.000 -1.926 0.102) 1.929 7.419 ( 0.000 3.348 -3.467) 4.820 9.196 ( 0.000 8.276 8.453) 11.830 9.360 ( 0.000 8.494 -8.108) 11.743 9.737 ( 0.000 -5.071 3.770) 6.319 9.862 ( 0.000 -5.878 -8.744) 10.536 11.253 ( 0.000 0.637 -0.167) 0.658 11.278 ( 0.000 0.276 -2.413) 2.429 11.564 ( 0.000 -2.408 -1.876) 3.053 11.575 ( 0.000 -2.634 -2.989) 3.984 13.490 ( 0.000 9.689 1.583) 9.818 13.513 ( 0.000 10.216 -0.656) 10.237 14.311 ( 0.000 -4.031 0.273) 4.040 14.313 ( 0.000 -4.342 0.049) 4.343 14.647 ( 0.000 -0.422 1.777) 1.827 14.657 ( 0.000 -1.021 0.807) 1.301 14.828 ( 0.000 -3.623 0.638) 3.678 14.833 ( 0.000 -5.240 -0.120) 5.242 17.254 ( 0.000 0.237 0.605) 0.650 17.255 ( 0.000 -0.130 0.538) 0.554 17.303 ( 0.000 -2.380 2.576) 3.507 17.345 ( 0.000 -3.500 -1.687) 3.886 17.772 ( 0.000 -2.033 0.710) 2.154 17.780 ( 0.000 -2.705 -0.290) 2.721 17.786 ( 0.000 -1.673 0.156) 1.680 17.799 ( 0.000 -0.918 -0.988) 1.348 20.058 ( 0.000 6.824 0.673) 6.857 20.089 ( 0.000 8.717 -2.698) 9.125 20.552 ( 0.000 -3.728 4.671) 5.976 20.638 ( 0.000 -4.345 -4.214) 6.053 28.739 ( 0.000 0.009 0.909) 0.909 28.765 ( 0.000 -0.654 -1.754) 1.872 29.328 ( 0.000 -0.652 2.174) 2.270 29.355 ( 0.000 -1.428 -0.608) 1.552 30.518 ( 0.000 -0.722 4.702) 4.757 30.574 ( 0.000 -2.146 -1.073) 2.399 31.530 ( 0.000 0.554 0.552) 0.782 31.599 ( 0.000 -1.438 -6.683) 6.836 33.796 ( 0.000 2.628 6.197) 6.731 33.837 ( 0.000 4.439 2.160) 4.937 34.497 ( 0.000 -13.352 11.636) 17.711 34.680 ( 0.000 -15.135 -7.015) 16.682 35.289 ( 0.000 5.147 3.740) 6.362 35.350 ( 0.000 3.373 -2.081) 3.963 35.897 ( 0.000 6.239 -2.698) 6.797 35.904 ( 0.000 5.841 -3.265) 6.691 ======================= Grid point 260 (90/96) ======================= q-point: ( 0.17 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -8.408 8.186 12.766) 17.340 3.233 ( -4.770 13.789 5.413) 15.563 3.575 ( -11.290 1.195 8.748) 14.332 3.732 ( -1.640 7.646 -2.272) 8.143 3.839 ( -5.916 13.252 2.758) 14.773 3.987 ( -19.201 -1.913 -11.991) 22.719 4.071 ( -1.924 0.336 3.698) 4.182 4.157 ( -4.697 -2.333 -5.629) 7.693 4.518 ( -4.813 -3.119 1.254) 5.871 4.556 ( -11.153 -2.854 -2.510) 11.783 4.799 ( -1.635 6.613 8.285) 10.726 4.923 ( -0.567 5.907 2.431) 6.413 4.975 ( 4.398 2.705 0.700) 5.211 5.104 ( 7.807 3.876 -4.359) 9.745 5.351 ( 12.351 -3.148 3.461) 13.207 5.444 ( 15.389 -6.802 -3.081) 17.105 5.641 ( 5.132 -3.523 -0.500) 6.245 5.672 ( 4.220 1.449 -0.585) 4.500 6.000 ( -0.384 -7.723 4.346) 8.871 6.094 ( 6.795 -8.497 -4.441) 11.751 6.291 ( 3.664 -4.313 1.017) 5.750 6.359 ( -0.399 0.784 -2.857) 2.989 6.555 ( 5.371 -0.611 -3.332) 6.350 6.565 ( 7.936 -2.215 -3.318) 8.882 6.991 ( 1.589 -2.219 8.099) 8.546 7.072 ( -2.665 -3.770 0.312) 4.628 7.420 ( 1.294 0.586 1.669) 2.192 7.474 ( 4.211 3.497 -5.240) 7.578 9.132 ( -6.186 9.599 6.745) 13.263 9.272 ( -7.995 8.010 -7.846) 13.771 9.755 ( 1.447 -6.418 3.836) 7.615 9.861 ( -0.122 -7.805 -7.246) 10.650 11.240 ( -0.927 0.304 -0.635) 1.164 11.265 ( -1.238 0.372 -2.920) 3.193 11.556 ( -0.880 -3.527 -1.475) 3.923 11.572 ( -0.478 -3.500 -3.081) 4.688 13.492 ( 0.256 10.425 1.509) 10.537 13.514 ( 0.066 10.848 -0.607) 10.866 14.277 ( -2.898 -3.427 0.294) 4.498 14.282 ( -2.867 -3.934 -0.179) 4.872 14.685 ( 3.354 -0.892 1.783) 3.901 14.694 ( 3.402 -1.269 0.901) 3.741 14.845 ( 1.939 -4.302 1.235) 4.878 14.863 ( 2.442 -4.828 -0.713) 5.457 17.224 ( -2.131 0.589 0.965) 2.412 17.234 ( -1.917 0.761 0.113) 2.066 17.330 ( 1.908 -2.870 1.949) 3.959 17.357 ( 0.972 -3.555 -0.717) 3.755 17.692 ( -5.113 0.249 0.610) 5.155 17.706 ( -4.715 -0.711 -0.938) 4.860 17.827 ( 1.471 -3.430 0.485) 3.764 17.840 ( 1.613 -3.751 -0.751) 4.152 20.070 ( 1.167 6.976 0.708) 7.109 20.099 ( 0.944 8.570 -2.431) 8.958 20.547 ( -0.484 -3.743 4.190) 5.639 20.623 ( -1.396 -4.247 -3.804) 5.870 28.761 ( 2.234 0.213 1.120) 2.508 28.791 ( 2.540 -0.520 -1.938) 3.237 29.263 ( -5.840 -1.015 2.207) 6.325 29.294 ( -5.605 -1.819 -0.926) 5.965 30.627 ( 10.364 -0.189 4.551) 11.320 30.687 ( 10.674 -1.762 -1.663) 10.946 31.488 ( -4.368 0.910 0.749) 4.525 31.555 ( -4.588 -1.006 -6.226) 7.799 33.801 ( 0.570 1.816 5.791) 6.096 33.837 ( 0.066 3.282 2.185) 3.944 34.498 ( 0.121 -14.559 11.057) 18.282 34.662 ( -1.961 -16.695 -5.467) 17.676 35.288 ( 0.380 8.005 3.739) 8.844 35.369 ( 1.364 5.274 -3.839) 6.664 35.869 ( -2.108 5.791 -0.997) 6.243 35.898 ( -1.087 5.063 -3.726) 6.380 ======================= Grid point 261 (91/96) ======================= q-point: ( 0.33 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -3.281 2.818 9.954) 10.853 3.126 ( -4.857 5.942 -0.621) 7.700 3.294 ( -13.642 -0.182 6.168) 14.973 3.460 ( -22.005 -1.196 -10.482) 24.403 3.790 ( 1.341 10.811 4.794) 11.902 3.853 ( 0.488 14.851 -0.946) 14.889 4.033 ( -1.625 -4.562 2.261) 5.345 4.082 ( -2.853 -1.374 -2.570) 4.079 4.380 ( -5.785 6.552 0.394) 8.750 4.414 ( -5.362 4.653 -2.859) 7.654 4.827 ( 2.595 4.279 8.075) 9.500 4.910 ( -1.170 1.685 7.882) 8.145 5.020 ( 2.049 3.418 -4.901) 6.317 5.135 ( -1.887 1.013 -8.768) 9.026 5.610 ( 11.668 -11.332 4.872) 16.978 5.678 ( 7.348 -12.191 3.176) 14.585 5.786 ( 8.863 2.180 -1.054) 9.188 5.850 ( 11.223 6.146 -4.726) 13.641 5.981 ( -0.205 -3.986 5.276) 6.616 6.123 ( -2.694 -7.260 -8.959) 11.841 6.243 ( -5.979 8.016 2.953) 10.427 6.321 ( -5.416 3.433 -3.864) 7.487 6.724 ( 16.457 -0.897 10.494) 19.539 6.879 ( 9.215 -1.797 -2.454) 9.704 7.019 ( 0.925 -6.070 2.454) 6.612 7.062 ( 8.340 -7.628 -3.752) 11.909 7.448 ( -0.842 1.199 2.725) 3.094 7.507 ( -1.642 2.185 -3.702) 4.602 9.004 ( -5.184 11.704 3.874) 13.374 9.099 ( -8.704 8.341 -6.371) 13.635 9.777 ( 0.945 -9.473 2.767) 9.914 9.852 ( -1.239 -10.452 -4.821) 11.577 11.232 ( 0.156 -0.205 -1.962) 1.979 11.243 ( -0.681 0.553 -3.107) 3.229 11.532 ( -1.346 -5.964 -1.047) 6.203 11.551 ( -1.629 -5.565 -3.010) 6.533 13.499 ( 0.454 11.999 1.145) 12.062 13.513 ( -0.125 12.226 -0.272) 12.230 14.221 ( -2.423 -3.121 0.060) 3.951 14.224 ( -2.579 -3.528 -0.249) 4.377 14.754 ( 3.242 -1.139 1.844) 3.899 14.763 ( 3.012 -0.971 0.950) 3.305 14.891 ( 2.418 -4.976 1.212) 5.663 14.909 ( 1.910 -5.258 -0.714) 5.639 17.187 ( -1.512 1.982 0.808) 2.621 17.195 ( -1.842 2.025 0.103) 2.739 17.363 ( 1.418 -3.656 1.626) 4.245 17.376 ( 0.814 -4.198 0.497) 4.305 17.602 ( -3.699 1.653 0.325) 4.064 17.617 ( -4.065 0.567 -1.187) 4.272 17.846 ( 0.637 -4.962 0.360) 5.016 17.856 ( 0.260 -5.269 -0.655) 5.316 20.098 ( 1.504 7.370 0.586) 7.544 20.118 ( 0.748 8.267 -1.540) 8.443 20.540 ( -0.005 -3.842 2.536) 4.604 20.588 ( -2.056 -4.071 -2.474) 5.188 28.820 ( 3.611 0.910 1.325) 3.952 28.852 ( 3.247 0.318 -1.959) 3.806 29.142 ( -5.718 -2.198 1.864) 6.403 29.173 ( -6.119 -2.785 -1.290) 6.846 30.873 ( 14.056 0.893 3.794) 14.586 30.938 ( 14.098 -0.860 -2.901) 14.419 31.360 ( -8.864 1.418 1.491) 9.100 31.423 ( -8.972 -0.376 -5.113) 10.334 33.817 ( 0.990 0.381 4.785) 4.901 33.839 ( 0.037 1.149 2.509) 2.760 34.506 ( 0.941 -17.365 8.752) 19.469 34.606 ( -3.509 -19.188 -1.117) 19.538 35.315 ( 2.292 12.776 1.468) 13.063 35.385 ( 0.013 10.511 -5.180) 11.718 35.832 ( -1.282 3.868 0.469) 4.101 35.865 ( -2.102 3.519 -2.817) 4.974 ======================= Grid point 262 (92/96) ======================= q-point: (-0.50 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -5.154 -0.067 2.539) 5.746 3.067 ( 5.154 -0.067 2.539) 5.746 3.150 ( -4.097 0.502 -2.413) 4.781 3.150 ( 4.097 0.502 -2.413) 4.781 3.835 ( -2.330 13.956 3.720) 14.630 3.835 ( 2.330 13.956 3.720) 14.630 4.037 ( -1.812 -4.257 -0.089) 4.628 4.037 ( 1.812 -4.257 -0.089) 4.628 4.340 ( -1.479 9.429 -2.198) 9.794 4.340 ( 1.479 9.429 -2.198) 9.794 4.874 ( -2.259 1.894 9.452) 9.901 4.874 ( 2.259 1.894 9.452) 9.901 5.079 ( -3.508 1.390 -8.714) 9.496 5.079 ( 3.508 1.390 -8.714) 9.496 5.735 ( -1.379 -14.650 3.444) 15.113 5.735 ( 1.379 -14.650 3.444) 15.113 5.951 ( -6.156 2.046 0.417) 6.501 5.951 ( 6.156 2.046 0.416) 6.501 6.022 ( -6.049 2.543 -3.579) 7.475 6.022 ( 6.049 2.543 -3.579) 7.475 6.206 ( -4.410 5.461 -0.955) 7.084 6.206 ( 4.410 5.461 -0.955) 7.084 6.911 ( -1.268 -4.056 3.554) 5.540 6.911 ( 1.268 -4.056 3.554) 5.540 7.158 ( -10.602 0.354 6.219) 12.297 7.158 ( 10.602 0.354 6.219) 12.297 7.428 ( -6.039 -3.768 -6.823) 9.860 7.428 ( 6.039 -3.768 -6.823) 9.860 8.979 ( -2.849 11.069 -0.446) 11.439 8.979 ( 2.849 11.069 -0.446) 11.439 9.810 ( -2.518 -11.231 -1.562) 11.615 9.810 ( 2.518 -11.231 -1.562) 11.615 11.238 ( -0.236 0.211 -2.701) 2.720 11.238 ( 0.236 0.211 -2.701) 2.720 11.523 ( -0.728 -7.121 -1.985) 7.429 11.523 ( 0.728 -7.121 -1.985) 7.429 13.508 ( -0.406 12.911 0.434) 12.925 13.508 ( 0.406 12.911 0.434) 12.925 14.196 ( -0.072 -3.348 -0.154) 3.352 14.196 ( 0.072 -3.348 -0.154) 3.352 14.791 ( -0.300 -0.762 1.433) 1.650 14.791 ( 0.300 -0.762 1.433) 1.650 14.923 ( -0.567 -5.581 0.219) 5.614 14.923 ( 0.567 -5.581 0.219) 5.614 17.173 ( -0.216 2.722 0.473) 2.771 17.173 ( 0.216 2.722 0.473) 2.771 17.382 ( -0.367 -4.494 1.320) 4.698 17.382 ( 0.367 -4.494 1.320) 4.698 17.568 ( -0.516 1.783 -0.652) 1.967 17.568 ( 0.516 1.783 -0.652) 1.967 17.855 ( -0.301 -5.696 -0.170) 5.707 17.855 ( 0.301 -5.696 -0.170) 5.707 20.120 ( -0.599 7.865 -0.221) 7.891 20.120 ( 0.599 7.865 -0.221) 7.891 20.553 ( -1.370 -3.964 -0.118) 4.196 20.553 ( 1.370 -3.964 -0.118) 4.196 28.879 ( -1.403 1.818 0.039) 2.297 28.879 ( 1.403 1.818 0.039) 2.297 29.089 ( -1.347 -3.818 -0.198) 4.054 29.089 ( 1.347 -3.818 -0.198) 4.054 31.128 ( -8.939 1.974 1.072) 9.217 31.128 ( 8.939 1.974 1.072) 9.217 31.222 ( -8.814 -0.706 -2.466) 9.179 31.222 ( 8.814 -0.706 -2.466) 9.179 33.834 ( -0.623 -0.029 3.504) 3.559 33.834 ( 0.623 -0.029 3.504) 3.559 34.542 ( -2.770 -19.531 4.307) 20.191 34.542 ( 2.770 -19.531 4.307) 20.191 35.363 ( -2.199 14.310 -2.656) 14.720 35.363 ( 2.199 14.310 -2.656) 14.720 35.830 ( -1.116 2.514 -0.691) 2.836 35.830 ( 1.116 2.514 -0.691) 2.836 ======================= Grid point 266 (93/96) ======================= q-point: ( 0.00 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 0.000 11.609 20.137) 23.244 3.570 ( 0.000 9.491 15.991) 18.596 3.752 ( 0.000 0.924 0.674) 1.143 3.786 ( 0.000 0.753 6.328) 6.373 4.060 ( 0.000 0.973 -13.483) 13.518 4.081 ( 0.000 -2.085 -0.489) 2.141 4.120 ( 0.000 -7.328 -3.891) 8.297 4.159 ( 0.000 -4.280 -14.318) 14.944 4.583 ( 0.000 4.463 2.318) 5.029 4.607 ( 0.000 1.923 0.690) 2.043 4.889 ( 0.000 0.517 -1.972) 2.038 4.932 ( 0.000 -1.972 -4.156) 4.601 5.027 ( 0.000 3.453 5.274) 6.304 5.034 ( 0.000 3.782 5.905) 7.012 5.324 ( 0.000 7.696 -0.030) 7.697 5.383 ( 0.000 11.121 -3.775) 11.745 5.521 ( 0.000 -7.510 5.247) 9.161 5.618 ( 0.000 -0.467 -3.377) 3.409 5.701 ( 0.000 -11.216 -1.593) 11.328 5.766 ( 0.000 -9.413 -6.643) 11.521 6.114 ( 0.000 -1.708 4.422) 4.741 6.179 ( 0.000 -7.430 -2.307) 7.780 6.529 ( 0.000 2.954 2.007) 3.571 6.577 ( 0.000 -1.327 -2.502) 2.833 6.993 ( 0.000 1.805 6.140) 6.400 7.043 ( 0.000 -2.778 1.356) 3.091 7.426 ( 0.000 2.141 1.082) 2.399 7.460 ( 0.000 -0.133 -2.757) 2.760 9.383 ( 0.000 8.697 6.986) 11.155 9.505 ( 0.000 1.917 -1.097) 2.209 9.628 ( 0.000 -1.957 -4.265) 4.693 9.724 ( 0.000 -6.677 -9.686) 11.764 11.279 ( 0.000 1.376 0.339) 1.417 11.290 ( 0.000 0.430 -0.639) 0.770 11.518 ( 0.000 -1.432 -2.807) 3.152 11.522 ( 0.000 -1.807 -3.295) 3.758 13.690 ( 0.000 7.405 1.544) 7.564 13.709 ( 0.000 6.187 -0.397) 6.199 14.204 ( 0.000 -4.434 0.921) 4.529 14.208 ( 0.000 -4.437 0.521) 4.468 14.639 ( 0.000 -0.278 2.244) 2.262 14.640 ( 0.000 -0.472 2.376) 2.423 14.755 ( 0.000 -1.675 -0.927) 1.915 14.761 ( 0.000 -2.051 -1.273) 2.413 17.253 ( 0.000 -0.040 1.011) 1.012 17.258 ( 0.000 -0.257 0.527) 0.586 17.270 ( 0.000 -0.133 1.321) 1.327 17.290 ( 0.000 -1.707 -0.589) 1.806 17.723 ( 0.000 -1.199 0.220) 1.219 17.728 ( 0.000 -1.620 -0.354) 1.658 17.781 ( 0.000 0.151 0.271) 0.310 17.788 ( 0.000 -0.403 -0.331) 0.522 20.203 ( 0.000 5.979 1.719) 6.221 20.243 ( 0.000 3.997 -2.242) 4.583 20.476 ( 0.000 -1.867 1.595) 2.456 20.530 ( 0.000 -5.239 -3.718) 6.424 28.741 ( 0.000 0.260 0.199) 0.327 28.751 ( 0.000 -0.605 -0.767) 0.977 29.320 ( 0.000 -0.012 0.967) 0.967 29.329 ( 0.000 -0.861 0.013) 0.861 30.512 ( 0.000 0.306 2.771) 2.788 30.532 ( 0.000 -1.565 0.677) 1.706 31.546 ( 0.000 0.926 -1.631) 1.875 31.570 ( 0.000 -1.259 -4.113) 4.302 33.896 ( 0.000 6.293 7.990) 10.170 33.955 ( 0.000 4.273 2.576) 4.990 34.252 ( 0.000 -6.392 7.380) 9.764 34.362 ( 0.000 -13.085 -3.257) 13.485 35.389 ( 0.000 3.176 1.170) 3.385 35.409 ( 0.000 1.285 -0.696) 1.461 35.986 ( 0.000 2.103 -3.055) 3.708 35.988 ( 0.000 1.943 -3.102) 3.660 ======================= Grid point 267 (94/96) ======================= q-point: ( 0.17 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -14.343 9.378 15.189) 22.899 3.513 ( -11.221 3.431 13.842) 18.147 3.533 ( -15.777 3.759 0.058) 16.218 3.802 ( -15.812 -12.083 -3.448) 20.196 3.858 ( -4.376 5.198 -4.970) 8.418 3.961 ( -4.426 -2.487 -7.304) 8.895 4.086 ( -0.978 0.259 1.079) 1.479 4.123 ( -2.166 -2.104 -4.152) 5.134 4.641 ( 2.693 13.247 1.053) 13.558 4.691 ( 1.802 13.822 -3.809) 14.450 4.912 ( 2.035 -3.016 6.161) 7.155 4.962 ( 2.235 -2.331 2.608) 4.151 5.042 ( 1.828 2.773 2.098) 3.928 5.103 ( 3.025 -5.831 -5.229) 8.396 5.268 ( 1.568 1.991 8.500) 8.870 5.363 ( -4.088 -3.293 3.531) 6.327 5.608 ( 12.953 2.840 -4.134) 13.890 5.687 ( 8.332 -1.518 -7.469) 11.292 5.857 ( 5.084 -4.177 -0.079) 6.580 5.906 ( 7.643 -7.984 -5.047) 12.151 6.222 ( 12.279 -0.138 3.578) 12.791 6.296 ( 15.202 -5.798 -3.944) 16.741 6.523 ( 0.269 1.522 1.947) 2.486 6.561 ( -0.588 -1.051 -1.760) 2.132 6.970 ( -2.785 0.401 4.863) 5.618 7.004 ( -3.832 -2.575 1.316) 4.801 7.470 ( 3.829 3.142 2.462) 5.531 7.514 ( 4.089 -0.271 -2.175) 4.639 9.340 ( -4.238 9.302 4.676) 11.241 9.434 ( -6.658 4.879 -4.203) 9.263 9.608 ( -1.896 -5.062 0.020) 5.405 9.686 ( -3.317 -8.066 -7.076) 11.231 11.263 ( -1.284 1.460 0.020) 1.944 11.278 ( -1.038 0.312 -1.327) 1.713 11.491 ( -2.660 -1.758 -2.688) 4.170 11.502 ( -2.138 -2.511 -3.680) 4.941 13.710 ( 2.029 8.256 1.455) 8.626 13.728 ( 1.914 7.171 -0.393) 7.432 14.173 ( -3.031 -4.819 0.812) 5.751 14.178 ( -2.947 -4.824 0.314) 5.661 14.669 ( 2.846 -0.423 2.302) 3.684 14.672 ( 3.132 -0.673 1.895) 3.722 14.774 ( 1.794 -1.537 -0.211) 2.372 14.784 ( 2.013 -2.316 -1.199) 3.295 17.241 ( -0.700 1.028 1.110) 1.667 17.254 ( -0.732 1.053 -0.279) 1.312 17.276 ( 0.609 -1.882 1.742) 2.636 17.294 ( 0.236 -2.303 -0.183) 2.322 17.701 ( -2.116 0.557 0.215) 2.199 17.706 ( -2.176 0.374 -0.372) 2.239 17.767 ( -1.232 -1.744 0.278) 2.153 17.774 ( -1.215 -2.136 -0.413) 2.491 20.218 ( 1.467 6.126 1.575) 6.493 20.256 ( 1.283 4.428 -2.281) 5.143 20.466 ( -1.003 -2.339 1.696) 3.059 20.516 ( -1.335 -5.281 -3.380) 6.410 28.767 ( 2.670 0.410 0.266) 2.715 28.778 ( 2.804 -0.587 -0.857) 2.991 29.250 ( -6.420 -0.115 0.943) 6.489 29.261 ( -6.297 -1.114 -0.176) 6.398 30.630 ( 11.193 0.579 2.499) 11.484 30.652 ( 11.282 -1.412 0.273) 11.373 31.510 ( -3.871 1.056 -1.366) 4.238 31.532 ( -3.946 -1.048 -3.759) 5.550 33.891 ( -0.354 6.161 7.310) 9.566 33.944 ( -0.877 4.690 2.226) 5.265 34.226 ( -2.527 -7.905 7.324) 11.069 34.324 ( -3.701 -13.487 -2.310) 14.175 35.431 ( 4.280 4.417 1.170) 6.261 35.457 ( 4.658 1.969 -1.245) 5.208 35.952 ( -3.265 2.099 -2.246) 4.485 35.963 ( -2.752 1.104 -3.228) 4.383 ======================= Grid point 268 (95/96) ======================= q-point: ( 0.33 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -8.381 4.967 8.511) 12.936 3.219 ( -12.919 -4.739 5.700) 14.895 3.247 ( -13.513 5.014 -4.484) 15.094 3.380 ( -20.258 -6.013 -9.245) 23.066 3.901 ( 3.766 3.163 5.774) 7.585 3.954 ( 1.988 -1.184 0.682) 2.412 4.058 ( -2.101 1.933 1.097) 3.058 4.078 ( -2.616 -1.130 -0.276) 2.863 4.669 ( 0.418 17.385 -1.107) 17.425 4.682 ( -1.354 18.437 -2.510) 18.656 4.922 ( -0.515 -1.316 9.727) 9.829 4.948 ( -2.172 -0.150 7.850) 8.146 5.081 ( 0.954 0.965 -0.979) 1.673 5.126 ( 2.335 -2.008 -8.437) 8.982 5.333 ( 1.981 -9.666 5.358) 11.228 5.382 ( 2.073 -11.707 -0.362) 11.895 5.833 ( 9.415 2.085 -0.766) 9.674 5.878 ( 7.980 -1.969 -2.528) 8.599 5.912 ( 3.401 -1.750 -2.074) 4.351 5.968 ( 1.271 -6.539 -6.057) 9.004 6.446 ( 1.789 8.081 2.212) 8.567 6.479 ( 1.601 12.124 -0.898) 12.263 6.647 ( 16.272 -5.364 6.847) 18.450 6.779 ( 13.181 -9.756 -5.019) 17.149 6.926 ( 5.730 -2.476 0.299) 6.249 6.931 ( 1.218 -2.146 0.982) 2.656 7.495 ( -4.711 2.705 1.412) 5.612 7.532 ( -3.907 -0.290 -2.418) 4.604 9.251 ( -3.397 10.797 2.249) 11.540 9.308 ( -4.840 9.608 -3.866) 11.432 9.552 ( -3.232 -9.635 3.396) 10.715 9.615 ( -4.064 -11.068 -3.174) 12.211 11.251 ( 0.459 1.764 -1.281) 2.228 11.267 ( 0.340 0.982 -2.791) 2.978 11.422 ( -4.062 -3.155 -2.363) 5.660 11.441 ( -3.977 -4.139 -4.045) 7.022 13.761 ( 2.937 10.946 1.169) 11.393 13.775 ( 2.521 10.401 -0.215) 10.705 14.102 ( -3.730 -6.959 0.603) 7.919 14.108 ( -3.779 -6.850 0.022) 7.823 14.736 ( 3.592 -0.298 2.012) 4.128 14.743 ( 3.690 -0.806 1.204) 3.964 14.808 ( 1.297 -1.879 0.663) 2.377 14.820 ( 1.178 -2.675 -0.533) 2.971 17.230 ( -0.332 2.120 0.922) 2.336 17.239 ( -0.721 2.127 0.105) 2.249 17.286 ( 0.434 -3.102 1.267) 3.379 17.296 ( -0.052 -3.155 0.355) 3.175 17.655 ( -2.167 3.173 0.069) 3.843 17.658 ( -2.320 3.073 -0.314) 3.864 17.744 ( -0.963 -4.368 0.122) 4.475 17.749 ( -1.171 -4.567 -0.380) 4.730 20.255 ( 2.206 6.776 1.038) 7.201 20.285 ( 1.387 6.179 -2.102) 6.672 20.443 ( -1.040 -4.268 1.535) 4.653 20.481 ( -2.189 -5.627 -2.364) 6.484 28.841 ( 4.781 0.942 0.394) 4.889 28.854 ( 4.841 -0.212 -0.974) 4.942 29.108 ( -7.523 -0.646 0.773) 7.590 29.121 ( -7.471 -1.755 -0.534) 7.693 30.895 ( 15.005 1.081 1.697) 15.140 30.918 ( 15.011 -1.016 -0.653) 15.060 31.390 ( -8.656 1.269 -0.583) 8.768 31.411 ( -8.677 -0.729 -2.850) 9.162 33.892 ( 0.702 6.494 5.682) 8.657 33.930 ( -0.567 6.442 1.870) 6.732 34.171 ( -2.402 -11.991 6.541) 13.868 34.235 ( -4.879 -14.468 0.075) 15.269 35.540 ( 6.434 7.146 0.553) 9.632 35.568 ( 6.146 4.868 -2.089) 8.114 35.868 ( -5.013 0.389 -0.976) 5.122 35.886 ( -4.881 -0.929 -2.684) 5.647 ======================= Grid point 269 (96/96) ======================= q-point: (-0.50 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -4.193 1.091 0.241) 4.340 3.069 ( 4.193 1.091 0.241) 4.340 3.118 ( -3.861 -2.850 -2.328) 5.334 3.118 ( 3.861 -2.850 -2.328) 5.334 3.973 ( -2.444 2.999 5.016) 6.335 3.973 ( 2.444 2.998 5.016) 6.335 4.030 ( -1.442 -0.679 0.417) 1.648 4.030 ( 1.442 -0.679 0.417) 1.648 4.668 ( -0.063 18.203 -2.126) 18.327 4.668 ( 0.063 18.203 -2.126) 18.327 4.917 ( -0.701 -1.779 8.812) 9.017 4.917 ( 0.701 -1.779 8.812) 9.017 5.129 ( -2.581 4.781 -3.684) 6.565 5.129 ( 2.581 4.781 -3.684) 6.565 5.367 ( -2.391 -16.618 0.432) 16.795 5.367 ( 2.391 -16.618 0.432) 16.795 5.935 ( -0.620 -0.500 -0.825) 1.147 5.935 ( 0.620 -0.500 -0.825) 1.147 5.981 ( -0.851 -4.113 -4.971) 6.508 5.981 ( 0.851 -4.113 -4.971) 6.508 6.476 ( -1.502 15.192 2.717) 15.506 6.476 ( 1.502 15.192 2.717) 15.506 6.759 ( -2.628 -10.400 4.558) 11.655 6.759 ( 2.628 -10.400 4.558) 11.655 7.216 ( -16.305 4.394 0.513) 16.894 7.216 ( 16.305 4.394 0.513) 16.894 7.325 ( -14.518 -5.379 -6.400) 16.753 7.325 ( 14.518 -5.379 -6.400) 16.753 9.245 ( -2.235 13.452 1.077) 13.679 9.245 ( 2.235 13.452 1.077) 13.679 9.539 ( -2.626 -13.632 0.343) 13.887 9.539 ( 2.626 -13.632 0.343) 13.887 11.275 ( -0.930 3.314 -3.109) 4.638 11.275 ( 0.930 3.314 -3.109) 4.638 11.377 ( -1.074 -6.089 -2.898) 6.829 11.377 ( 1.074 -6.089 -2.898) 6.829 13.801 ( -0.455 13.768 0.491) 13.784 13.801 ( 0.455 13.768 0.491) 13.784 14.061 ( -0.241 -9.624 0.184) 9.629 14.061 ( 0.241 -9.624 0.184) 9.629 14.784 ( -0.527 0.391 1.304) 1.460 14.784 ( 0.527 0.391 1.304) 1.460 14.822 ( -0.609 -3.367 0.477) 3.455 14.822 ( 0.609 -3.367 0.477) 3.455 17.229 ( -0.237 2.585 0.594) 2.663 17.229 ( 0.237 2.585 0.594) 2.663 17.292 ( -0.236 -3.558 0.799) 3.654 17.292 ( 0.236 -3.558 0.799) 3.654 17.632 ( -0.090 4.086 -0.158) 4.090 17.632 ( 0.090 4.086 -0.158) 4.090 17.735 ( -0.149 -5.361 -0.150) 5.365 17.735 ( 0.149 -5.361 -0.150) 5.365 20.291 ( -1.048 7.806 -0.451) 7.889 20.291 ( 1.048 7.806 -0.451) 7.889 20.443 ( -1.258 -6.245 -0.376) 6.382 20.443 ( 1.259 -6.245 -0.376) 6.382 28.930 ( -1.346 2.983 -0.109) 3.274 28.930 ( 1.346 2.983 -0.109) 3.274 29.005 ( -1.322 -3.869 -0.193) 4.093 29.005 ( 1.322 -3.869 -0.193) 4.093 31.170 ( -9.140 1.811 0.012) 9.318 31.170 ( 9.140 1.811 0.012) 9.318 31.202 ( -9.083 -1.167 -1.205) 9.236 31.202 ( 9.083 -1.167 -1.205) 9.236 33.914 ( -1.222 7.735 3.404) 8.539 33.914 ( 1.222 7.735 3.404) 8.539 34.163 ( -1.937 -15.186 3.563) 15.718 34.163 ( 1.937 -15.186 3.563) 15.718 35.639 ( -1.443 10.800 -1.514) 11.001 35.639 ( 1.443 10.800 -1.514) 11.001 35.807 ( -1.168 -4.647 -0.979) 4.890 35.807 ( 1.168 -4.647 -0.979) 4.890 =================== 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 3/33264 10.0 1774.573 728.161 2631.562 0.000 0.000 -0.000 3/33264 20.0 247.802 175.184 172.088 0.000 0.000 -0.000 3/33264 30.0 78.754 41.125 46.213 0.000 0.000 -0.000 3/33264 40.0 37.581 17.620 22.521 0.000 0.000 0.000 3/33264 50.0 23.364 10.479 14.441 0.000 0.000 0.000 3/33264 60.0 16.786 7.411 10.617 0.000 0.000 0.000 3/33264 70.0 13.112 5.775 8.428 0.000 0.000 0.000 3/33264 80.0 10.791 4.772 7.016 0.000 0.000 0.000 3/33264 90.0 9.193 4.094 6.029 0.000 0.000 0.000 3/33264 100.0 8.023 3.605 5.298 0.000 0.000 0.000 3/33264 110.0 7.129 3.234 4.733 0.000 0.000 0.000 3/33264 120.0 6.421 2.942 4.284 0.000 0.000 0.000 3/33264 130.0 5.846 2.705 3.917 0.000 0.000 0.000 3/33264 140.0 5.370 2.509 3.611 0.000 0.000 0.000 3/33264 150.0 4.969 2.343 3.353 0.000 0.000 0.000 3/33264 160.0 4.627 2.202 3.131 0.000 0.000 0.000 3/33264 170.0 4.333 2.079 2.939 0.000 0.000 0.000 3/33264 180.0 4.078 1.971 2.771 0.000 0.000 0.000 3/33264 190.0 3.854 1.877 2.623 0.000 0.000 0.000 3/33264 200.0 3.656 1.793 2.492 0.000 0.000 0.000 3/33264 210.0 3.481 1.717 2.376 0.000 0.000 0.000 3/33264 220.0 3.325 1.650 2.271 0.000 0.000 0.000 3/33264 230.0 3.185 1.589 2.177 0.000 0.000 0.000 3/33264 240.0 3.059 1.534 2.092 0.000 0.000 0.000 3/33264 250.0 2.946 1.484 2.015 0.000 0.000 0.000 3/33264 260.0 2.842 1.439 1.944 0.000 0.000 0.000 3/33264 270.0 2.748 1.397 1.880 0.000 0.000 0.000 3/33264 280.0 2.662 1.359 1.821 0.000 0.000 0.000 3/33264 290.0 2.582 1.323 1.766 0.000 0.000 -0.000 3/33264 300.0 2.509 1.291 1.716 0.000 0.000 -0.000 3/33264 310.0 2.441 1.260 1.669 0.000 0.000 -0.000 3/33264 320.0 2.378 1.232 1.626 0.000 0.000 -0.000 3/33264 330.0 2.319 1.206 1.586 0.000 0.000 -0.000 3/33264 340.0 2.263 1.181 1.548 0.000 0.000 -0.000 3/33264 350.0 2.211 1.158 1.512 0.000 0.000 -0.000 3/33264 360.0 2.163 1.136 1.479 0.000 0.000 -0.000 3/33264 370.0 2.116 1.115 1.448 0.000 0.000 -0.000 3/33264 380.0 2.073 1.095 1.418 0.000 0.000 -0.000 3/33264 390.0 2.031 1.076 1.390 0.000 0.000 -0.000 3/33264 400.0 1.992 1.058 1.363 0.000 0.000 -0.000 3/33264 410.0 1.954 1.041 1.337 0.000 0.000 -0.000 3/33264 420.0 1.918 1.025 1.313 0.000 0.000 -0.000 3/33264 430.0 1.884 1.009 1.290 0.000 0.000 -0.000 3/33264 440.0 1.851 0.994 1.267 0.000 0.000 -0.000 3/33264 450.0 1.819 0.979 1.246 0.000 0.000 -0.000 3/33264 460.0 1.789 0.965 1.225 0.000 0.000 -0.000 3/33264 470.0 1.760 0.952 1.205 0.000 0.000 -0.000 3/33264 480.0 1.731 0.938 1.186 0.000 0.000 -0.000 3/33264 490.0 1.704 0.926 1.168 0.000 0.000 -0.000 3/33264 500.0 1.678 0.913 1.150 0.000 0.000 -0.000 3/33264 510.0 1.652 0.901 1.133 0.000 0.000 -0.000 3/33264 520.0 1.628 0.890 1.117 0.000 0.000 -0.000 3/33264 530.0 1.604 0.878 1.100 0.000 0.000 -0.000 3/33264 540.0 1.581 0.867 1.085 0.000 0.000 -0.000 3/33264 550.0 1.558 0.856 1.070 0.000 0.000 -0.000 3/33264 560.0 1.536 0.846 1.055 0.000 0.000 -0.000 3/33264 570.0 1.515 0.836 1.041 0.000 0.000 -0.000 3/33264 580.0 1.494 0.826 1.027 0.000 0.000 -0.000 3/33264 590.0 1.474 0.816 1.013 0.000 0.000 -0.000 3/33264 600.0 1.455 0.806 1.000 0.000 0.000 -0.000 3/33264 610.0 1.436 0.797 0.987 0.000 0.000 -0.000 3/33264 620.0 1.417 0.788 0.975 0.000 0.000 -0.000 3/33264 630.0 1.399 0.779 0.963 0.000 0.000 -0.000 3/33264 640.0 1.382 0.770 0.951 0.000 0.000 -0.000 3/33264 650.0 1.365 0.761 0.939 0.000 0.000 -0.000 3/33264 660.0 1.348 0.753 0.928 0.000 0.000 -0.000 3/33264 670.0 1.331 0.745 0.917 0.000 0.000 -0.000 3/33264 680.0 1.315 0.737 0.906 0.000 0.000 -0.000 3/33264 690.0 1.300 0.729 0.896 0.000 0.000 -0.000 3/33264 700.0 1.285 0.721 0.885 0.000 0.000 -0.000 3/33264 710.0 1.270 0.714 0.875 0.000 0.000 -0.000 3/33264 720.0 1.255 0.706 0.866 0.000 0.000 -0.000 3/33264 730.0 1.241 0.699 0.856 0.000 0.000 -0.000 3/33264 740.0 1.227 0.692 0.847 0.000 0.000 -0.000 3/33264 750.0 1.213 0.685 0.837 0.000 0.000 -0.000 3/33264 760.0 1.200 0.678 0.828 0.000 0.000 -0.000 3/33264 770.0 1.187 0.671 0.819 0.000 0.000 -0.000 3/33264 780.0 1.174 0.664 0.811 0.000 0.000 -0.000 3/33264 790.0 1.161 0.658 0.802 0.000 0.000 -0.000 3/33264 800.0 1.149 0.651 0.794 0.000 0.000 -0.000 3/33264 810.0 1.137 0.645 0.786 0.000 0.000 -0.000 3/33264 820.0 1.125 0.639 0.778 0.000 0.000 -0.000 3/33264 830.0 1.114 0.633 0.770 0.000 0.000 -0.000 3/33264 840.0 1.102 0.627 0.762 0.000 0.000 -0.000 3/33264 850.0 1.091 0.621 0.755 0.000 0.000 -0.000 3/33264 860.0 1.080 0.615 0.747 0.000 0.000 -0.000 3/33264 870.0 1.070 0.610 0.740 0.000 0.000 -0.000 3/33264 880.0 1.059 0.604 0.733 0.000 0.000 -0.000 3/33264 890.0 1.049 0.598 0.726 0.000 0.000 -0.000 3/33264 900.0 1.039 0.593 0.719 0.000 0.000 -0.000 3/33264 910.0 1.029 0.588 0.712 0.000 0.000 -0.000 3/33264 920.0 1.019 0.583 0.706 0.000 0.000 -0.000 3/33264 930.0 1.009 0.577 0.699 0.000 0.000 -0.000 3/33264 940.0 1.000 0.572 0.693 0.000 0.000 -0.000 3/33264 950.0 0.991 0.567 0.686 0.000 0.000 -0.000 3/33264 960.0 0.982 0.562 0.680 0.000 0.000 -0.000 3/33264 970.0 0.973 0.558 0.674 0.000 0.000 -0.000 3/33264 980.0 0.964 0.553 0.668 0.000 0.000 -0.000 3/33264 990.0 0.955 0.548 0.662 0.000 0.000 -0.000 3/33264 1000.0 0.947 0.544 0.656 0.000 0.000 -0.000 3/33264 Thermal conductivity related properties were written into "kappa-m6711.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:36:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|