----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 9.067629170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.727947390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924005230000000 Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 3 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 4 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 *5 Se 0.18036232096320 0.75000000000000 0.52855531343152 78.960 6 Se 0.31963767903680 0.25000000000000 0.02855531343152 78.960 7 Se 0.68036232096320 0.75000000000000 0.97144468656848 78.960 8 Se 0.81963767903680 0.25000000000000 0.47144468656848 78.960 *9 O 0.12507089631231 0.95854735409350 0.67496074171620 15.999 *10 O 0.12281780548575 0.75000000000000 0.20515851286357 15.999 11 O 0.12507089631231 0.54145264590650 0.67496074171620 15.999 *12 O 0.13339999456167 0.25000000000000 0.06575628276802 15.999 13 O 0.36660000543833 0.75000000000000 0.56575628276802 15.999 14 O 0.37718219451425 0.25000000000000 0.70515851286357 15.999 15 O 0.37492910368769 0.04145264590650 0.17496074171620 15.999 16 O 0.37492910368769 0.45854735409350 0.17496074171620 15.999 17 O 0.62507089631231 0.95854735409350 0.82503925828380 15.999 18 O 0.62281780548575 0.75000000000000 0.29484148713643 15.999 19 O 0.62507089631231 0.54145264590650 0.82503925828380 15.999 20 O 0.63339999456167 0.25000000000000 0.43424371723198 15.999 21 O 0.86660000543833 0.75000000000000 0.93424371723198 15.999 22 O 0.87492910368769 0.45854735409350 0.32503925828380 15.999 23 O 0.87718219451425 0.25000000000000 0.79484148713643 15.999 24 O 0.87492910368769 0.04145264590650 0.32503925828380 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.067629170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.727947390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924005230000000 Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 2 3 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 3 4 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 4 *5 Se 0.18036232096320 0.75000000000000 0.52855531343152 78.960 > 5 6 Se 0.31963767903680 0.25000000000000 0.02855531343152 78.960 > 6 7 Se 0.68036232096320 0.75000000000000 0.97144468656848 78.960 > 7 8 Se 0.81963767903680 0.25000000000000 0.47144468656848 78.960 > 8 *9 O 0.12507089631231 0.95854735409350 0.67496074171620 15.999 > 9 *10 O 0.12281780548575 0.75000000000000 0.20515851286357 15.999 > 10 11 O 0.12507089631231 0.54145264590650 0.67496074171620 15.999 > 11 *12 O 0.13339999456167 0.25000000000000 0.06575628276802 15.999 > 12 13 O 0.36660000543833 0.75000000000000 0.56575628276802 15.999 > 13 14 O 0.37718219451425 0.25000000000000 0.70515851286357 15.999 > 14 15 O 0.37492910368769 0.04145264590650 0.17496074171620 15.999 > 15 16 O 0.37492910368769 0.45854735409350 0.17496074171620 15.999 > 16 17 O 0.62507089631231 0.95854735409350 0.82503925828380 15.999 > 17 18 O 0.62281780548575 0.75000000000000 0.29484148713643 15.999 > 18 19 O 0.62507089631231 0.54145264590650 0.82503925828380 15.999 > 19 20 O 0.63339999456167 0.25000000000000 0.43424371723198 15.999 > 20 21 O 0.86660000543833 0.75000000000000 0.93424371723198 15.999 > 21 22 O 0.87492910368769 0.45854735409350 0.32503925828380 15.999 > 22 23 O 0.87718219451425 0.25000000000000 0.79484148713643 15.999 > 23 24 O 0.87492910368769 0.04145264590650 0.32503925828380 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.067629170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.455894779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.848010459999999 Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 1 3 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 1 4 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 1 5 Zn 0.00000000000000 0.25000000000000 0.00000000000000 65.380 > 2 6 Zn 0.00000000000000 0.75000000000000 0.00000000000000 65.380 > 2 7 Zn 0.00000000000000 0.25000000000000 0.50000000000000 65.380 > 2 8 Zn 0.00000000000000 0.75000000000000 0.50000000000000 65.380 > 2 9 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 3 10 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 3 11 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 3 12 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 3 13 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 4 14 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 4 15 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 4 16 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 4 *17 Se 0.18036232096320 0.37500000000000 0.26427765671576 78.960 > 5 18 Se 0.18036232096320 0.87500000000000 0.26427765671576 78.960 > 5 19 Se 0.18036232096320 0.37500000000000 0.76427765671576 78.960 > 5 20 Se 0.18036232096320 0.87500000000000 0.76427765671576 78.960 > 5 21 Se 0.31963767903680 0.12500000000000 0.01427765671576 78.960 > 6 22 Se 0.31963767903680 0.62500000000000 0.01427765671576 78.960 > 6 23 Se 0.31963767903680 0.12500000000000 0.51427765671576 78.960 > 6 24 Se 0.31963767903680 0.62500000000000 0.51427765671576 78.960 > 6 25 Se 0.68036232096320 0.37500000000000 0.48572234328424 78.960 > 7 26 Se 0.68036232096320 0.87500000000000 0.48572234328424 78.960 > 7 27 Se 0.68036232096320 0.37500000000000 0.98572234328424 78.960 > 7 28 Se 0.68036232096320 0.87500000000000 0.98572234328424 78.960 > 7 29 Se 0.81963767903680 0.12500000000000 0.23572234328424 78.960 > 8 30 Se 0.81963767903680 0.62500000000000 0.23572234328424 78.960 > 8 31 Se 0.81963767903680 0.12500000000000 0.73572234328424 78.960 > 8 32 Se 0.81963767903680 0.62500000000000 0.73572234328424 78.960 > 8 *33 O 0.12507089631231 0.47927367704675 0.33748037085810 15.999 > 9 34 O 0.12507089631231 0.97927367704675 0.33748037085810 15.999 > 9 35 O 0.12507089631231 0.47927367704675 0.83748037085810 15.999 > 9 36 O 0.12507089631231 0.97927367704675 0.83748037085810 15.999 > 9 *37 O 0.12281780548575 0.37500000000000 0.10257925643178 15.999 > 10 38 O 0.12281780548575 0.87500000000000 0.10257925643178 15.999 > 10 39 O 0.12281780548575 0.37500000000000 0.60257925643178 15.999 > 10 40 O 0.12281780548575 0.87500000000000 0.60257925643178 15.999 > 10 41 O 0.12507089631231 0.27072632295325 0.33748037085810 15.999 > 11 42 O 0.12507089631231 0.77072632295325 0.33748037085810 15.999 > 11 43 O 0.12507089631231 0.27072632295325 0.83748037085810 15.999 > 11 44 O 0.12507089631231 0.77072632295325 0.83748037085810 15.999 > 11 *45 O 0.13339999456167 0.12500000000000 0.03287814138401 15.999 > 12 46 O 0.13339999456167 0.62500000000000 0.03287814138401 15.999 > 12 47 O 0.13339999456167 0.12500000000000 0.53287814138401 15.999 > 12 48 O 0.13339999456167 0.62500000000000 0.53287814138401 15.999 > 12 49 O 0.36660000543833 0.37500000000000 0.28287814138401 15.999 > 13 50 O 0.36660000543833 0.87500000000000 0.28287814138401 15.999 > 13 51 O 0.36660000543833 0.37500000000000 0.78287814138401 15.999 > 13 52 O 0.36660000543833 0.87500000000000 0.78287814138401 15.999 > 13 53 O 0.37718219451425 0.12500000000000 0.35257925643178 15.999 > 14 54 O 0.37718219451425 0.62500000000000 0.35257925643178 15.999 > 14 55 O 0.37718219451425 0.12500000000000 0.85257925643178 15.999 > 14 56 O 0.37718219451425 0.62500000000000 0.85257925643178 15.999 > 14 57 O 0.37492910368769 0.02072632295325 0.08748037085810 15.999 > 15 58 O 0.37492910368769 0.52072632295325 0.08748037085810 15.999 > 15 59 O 0.37492910368769 0.02072632295325 0.58748037085810 15.999 > 15 60 O 0.37492910368769 0.52072632295325 0.58748037085810 15.999 > 15 61 O 0.37492910368769 0.22927367704675 0.08748037085810 15.999 > 16 62 O 0.37492910368769 0.72927367704675 0.08748037085810 15.999 > 16 63 O 0.37492910368769 0.22927367704675 0.58748037085810 15.999 > 16 64 O 0.37492910368769 0.72927367704675 0.58748037085810 15.999 > 16 65 O 0.62507089631231 0.47927367704675 0.41251962914190 15.999 > 17 66 O 0.62507089631231 0.97927367704675 0.41251962914190 15.999 > 17 67 O 0.62507089631231 0.47927367704675 0.91251962914190 15.999 > 17 68 O 0.62507089631231 0.97927367704675 0.91251962914190 15.999 > 17 69 O 0.62281780548575 0.37500000000000 0.14742074356822 15.999 > 18 70 O 0.62281780548575 0.87500000000000 0.14742074356822 15.999 > 18 71 O 0.62281780548575 0.37500000000000 0.64742074356822 15.999 > 18 72 O 0.62281780548575 0.87500000000000 0.64742074356822 15.999 > 18 73 O 0.62507089631231 0.27072632295325 0.41251962914190 15.999 > 19 74 O 0.62507089631231 0.77072632295325 0.41251962914190 15.999 > 19 75 O 0.62507089631231 0.27072632295325 0.91251962914190 15.999 > 19 76 O 0.62507089631231 0.77072632295325 0.91251962914190 15.999 > 19 77 O 0.63339999456167 0.12500000000000 0.21712185861599 15.999 > 20 78 O 0.63339999456167 0.62500000000000 0.21712185861599 15.999 > 20 79 O 0.63339999456167 0.12500000000000 0.71712185861599 15.999 > 20 80 O 0.63339999456167 0.62500000000000 0.71712185861599 15.999 > 20 81 O 0.86660000543833 0.37500000000000 0.46712185861599 15.999 > 21 82 O 0.86660000543833 0.87500000000000 0.46712185861599 15.999 > 21 83 O 0.86660000543833 0.37500000000000 0.96712185861599 15.999 > 21 84 O 0.86660000543833 0.87500000000000 0.96712185861599 15.999 > 21 85 O 0.87492910368769 0.22927367704675 0.16251962914190 15.999 > 22 86 O 0.87492910368769 0.72927367704675 0.16251962914190 15.999 > 22 87 O 0.87492910368769 0.22927367704675 0.66251962914190 15.999 > 22 88 O 0.87492910368769 0.72927367704675 0.66251962914190 15.999 > 22 89 O 0.87718219451425 0.12500000000000 0.39742074356822 15.999 > 23 90 O 0.87718219451425 0.62500000000000 0.39742074356822 15.999 > 23 91 O 0.87718219451425 0.12500000000000 0.89742074356822 15.999 > 23 92 O 0.87718219451425 0.62500000000000 0.89742074356822 15.999 > 23 93 O 0.87492910368769 0.02072632295325 0.16251962914190 15.999 > 24 94 O 0.87492910368769 0.52072632295325 0.16251962914190 15.999 > 24 95 O 0.87492910368769 0.02072632295325 0.66251962914190 15.999 > 24 96 O 0.87492910368769 0.52072632295325 0.66251962914190 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8052573 0.0000000 0.0000000 0.0000000 3.6099458 0.0000000 0.0000000 0.0000000 3.7563595 -------------------------- Born effective charges -------------------------- 1 Zn 2.6792941 0.3669750 -0.1054559 -0.2419838 2.5324549 0.3563099 -0.0109853 -0.4622557 2.5884130 2 Zn 2.6792941 -0.3669750 -0.1054559 0.2419838 2.5324549 -0.3563099 -0.0109853 0.4622557 2.5884130 3 Zn 2.6792941 0.3669750 0.1054559 -0.2419838 2.5324549 -0.3563099 0.0109853 0.4622557 2.5884130 4 Zn 2.6792941 -0.3669750 0.1054559 0.2419838 2.5324549 0.3563099 0.0109853 -0.4622557 2.5884130 5 Se 3.7447731 0.0000000 0.3321461 0.0000000 3.3169521 0.0000000 -0.4943176 0.0000000 3.7145792 6 Se 3.7447731 0.0000000 -0.3321461 0.0000000 3.3169521 0.0000000 0.4943176 0.0000000 3.7145792 7 Se 3.7447731 0.0000000 -0.3321461 0.0000000 3.3169521 0.0000000 0.4943176 0.0000000 3.7145792 8 Se 3.7447731 0.0000000 0.3321461 0.0000000 3.3169521 0.0000000 -0.4943176 0.0000000 3.7145792 9 O -1.2298863 0.3431538 0.3646273 0.3251644 -1.5225716 -0.4954924 0.4412202 -0.5293829 -1.5388445 10 O -1.2557566 0.0000000 -0.7660049 0.0000000 -1.3365474 0.0000000 -0.6280261 0.0000000 -2.2639428 11 O -1.2298863 -0.3431538 0.3646273 -0.3251644 -1.5225716 0.4954924 0.4412202 0.5293829 -1.5388445 12 O -2.7085380 0.0000000 0.1516587 0.0000000 -1.4677165 0.0000000 -0.2671846 0.0000000 -0.9613605 13 O -2.7085380 0.0000000 -0.1516587 0.0000000 -1.4677165 0.0000000 0.2671846 0.0000000 -0.9613605 14 O -1.2557566 0.0000000 0.7660049 0.0000000 -1.3365474 0.0000000 0.6280261 0.0000000 -2.2639428 15 O -1.2298863 0.3431538 -0.3646273 0.3251644 -1.5225716 0.4954924 -0.4412202 0.5293829 -1.5388445 16 O -1.2298863 -0.3431538 -0.3646273 -0.3251644 -1.5225716 -0.4954924 -0.4412202 -0.5293829 -1.5388445 17 O -1.2298863 0.3431538 -0.3646273 0.3251644 -1.5225716 0.4954924 -0.4412202 0.5293829 -1.5388445 18 O -1.2557566 0.0000000 0.7660049 0.0000000 -1.3365474 0.0000000 0.6280261 0.0000000 -2.2639428 19 O -1.2298863 -0.3431538 -0.3646273 -0.3251644 -1.5225716 -0.4954924 -0.4412202 -0.5293829 -1.5388445 20 O -2.7085380 0.0000000 -0.1516587 0.0000000 -1.4677165 0.0000000 0.2671846 0.0000000 -0.9613605 21 O -2.7085380 0.0000000 0.1516587 0.0000000 -1.4677165 0.0000000 -0.2671846 0.0000000 -0.9613605 22 O -1.2298863 -0.3431538 0.3646273 -0.3251644 -1.5225716 0.4954924 0.4412202 0.5293829 -1.5388445 23 O -1.2557566 0.0000000 -0.7660049 0.0000000 -1.3365474 0.0000000 -0.6280261 0.0000000 -2.2639428 24 O -1.2298863 0.3431538 0.3646273 0.3251644 -1.5225716 -0.4954924 0.4412202 -0.5293829 -1.5388445 ---------------------------------------------------------------------------- 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: 1.568 Solver_block: 200 / 400 - Time: 1.583 Solver_block: 300 / 400 - Time: 1.576 Solver_block: 400 / 400 - Time: 1.577 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.336 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (zz) -0.00000000 (zz) 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 2026-01-09 03:35:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:35:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.067629170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.727947390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924005230000000 Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 3 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 4 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 5 Se 0.18036232096320 0.75000000000000 0.52855531343152 78.960 6 Se 0.31963767903680 0.25000000000000 0.02855531343152 78.960 7 Se 0.68036232096320 0.75000000000000 0.97144468656848 78.960 8 Se 0.81963767903680 0.25000000000000 0.47144468656848 78.960 9 O 0.12507089631231 0.95854735409350 0.67496074171620 15.999 10 O 0.12281780548575 0.75000000000000 0.20515851286357 15.999 11 O 0.12507089631231 0.54145264590650 0.67496074171620 15.999 12 O 0.13339999456167 0.25000000000000 0.06575628276802 15.999 13 O 0.36660000543833 0.75000000000000 0.56575628276802 15.999 14 O 0.37718219451425 0.25000000000000 0.70515851286357 15.999 15 O 0.37492910368769 0.04145264590650 0.17496074171620 15.999 16 O 0.37492910368769 0.45854735409350 0.17496074171620 15.999 17 O 0.62507089631231 0.95854735409350 0.82503925828380 15.999 18 O 0.62281780548575 0.75000000000000 0.29484148713643 15.999 19 O 0.62507089631231 0.54145264590650 0.82503925828380 15.999 20 O 0.63339999456167 0.25000000000000 0.43424371723198 15.999 21 O 0.86660000543833 0.75000000000000 0.93424371723198 15.999 22 O 0.87492910368769 0.45854735409350 0.32503925828380 15.999 23 O 0.87718219451425 0.25000000000000 0.79484148713643 15.999 24 O 0.87492910368769 0.04145264590650 0.32503925828380 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.067629170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.455894779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.848010459999999 Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 1 3 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 1 4 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 1 5 Zn 0.00000000000000 0.25000000000000 0.00000000000000 65.380 > 5 6 Zn 0.00000000000000 0.75000000000000 0.00000000000000 65.380 > 5 7 Zn 0.00000000000000 0.25000000000000 0.50000000000000 65.380 > 5 8 Zn 0.00000000000000 0.75000000000000 0.50000000000000 65.380 > 5 9 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 9 10 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 9 11 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 9 12 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 9 13 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 13 14 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 13 15 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 13 16 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 13 17 Se 0.18036232096320 0.37500000000000 0.26427765671576 78.960 > 17 18 Se 0.18036232096320 0.87500000000000 0.26427765671576 78.960 > 17 19 Se 0.18036232096320 0.37500000000000 0.76427765671576 78.960 > 17 20 Se 0.18036232096320 0.87500000000000 0.76427765671576 78.960 > 17 21 Se 0.31963767903680 0.12500000000000 0.01427765671576 78.960 > 21 22 Se 0.31963767903680 0.62500000000000 0.01427765671576 78.960 > 21 23 Se 0.31963767903680 0.12500000000000 0.51427765671576 78.960 > 21 24 Se 0.31963767903680 0.62500000000000 0.51427765671576 78.960 > 21 25 Se 0.68036232096320 0.37500000000000 0.48572234328424 78.960 > 25 26 Se 0.68036232096320 0.87500000000000 0.48572234328424 78.960 > 25 27 Se 0.68036232096320 0.37500000000000 0.98572234328424 78.960 > 25 28 Se 0.68036232096320 0.87500000000000 0.98572234328424 78.960 > 25 29 Se 0.81963767903680 0.12500000000000 0.23572234328424 78.960 > 29 30 Se 0.81963767903680 0.62500000000000 0.23572234328424 78.960 > 29 31 Se 0.81963767903680 0.12500000000000 0.73572234328424 78.960 > 29 32 Se 0.81963767903680 0.62500000000000 0.73572234328424 78.960 > 29 33 O 0.12507089631231 0.47927367704675 0.33748037085810 15.999 > 33 34 O 0.12507089631231 0.97927367704675 0.33748037085810 15.999 > 33 35 O 0.12507089631231 0.47927367704675 0.83748037085810 15.999 > 33 36 O 0.12507089631231 0.97927367704675 0.83748037085810 15.999 > 33 37 O 0.12281780548575 0.37500000000000 0.10257925643178 15.999 > 37 38 O 0.12281780548575 0.87500000000000 0.10257925643178 15.999 > 37 39 O 0.12281780548575 0.37500000000000 0.60257925643178 15.999 > 37 40 O 0.12281780548575 0.87500000000000 0.60257925643178 15.999 > 37 41 O 0.12507089631231 0.27072632295325 0.33748037085810 15.999 > 41 42 O 0.12507089631231 0.77072632295325 0.33748037085810 15.999 > 41 43 O 0.12507089631231 0.27072632295325 0.83748037085810 15.999 > 41 44 O 0.12507089631231 0.77072632295325 0.83748037085810 15.999 > 41 45 O 0.13339999456167 0.12500000000000 0.03287814138401 15.999 > 45 46 O 0.13339999456167 0.62500000000000 0.03287814138401 15.999 > 45 47 O 0.13339999456167 0.12500000000000 0.53287814138401 15.999 > 45 48 O 0.13339999456167 0.62500000000000 0.53287814138401 15.999 > 45 49 O 0.36660000543833 0.37500000000000 0.28287814138401 15.999 > 49 50 O 0.36660000543833 0.87500000000000 0.28287814138401 15.999 > 49 51 O 0.36660000543833 0.37500000000000 0.78287814138401 15.999 > 49 52 O 0.36660000543833 0.87500000000000 0.78287814138401 15.999 > 49 53 O 0.37718219451425 0.12500000000000 0.35257925643178 15.999 > 53 54 O 0.37718219451425 0.62500000000000 0.35257925643178 15.999 > 53 55 O 0.37718219451425 0.12500000000000 0.85257925643178 15.999 > 53 56 O 0.37718219451425 0.62500000000000 0.85257925643178 15.999 > 53 57 O 0.37492910368769 0.02072632295325 0.08748037085810 15.999 > 57 58 O 0.37492910368769 0.52072632295325 0.08748037085810 15.999 > 57 59 O 0.37492910368769 0.02072632295325 0.58748037085810 15.999 > 57 60 O 0.37492910368769 0.52072632295325 0.58748037085810 15.999 > 57 61 O 0.37492910368769 0.22927367704675 0.08748037085810 15.999 > 61 62 O 0.37492910368769 0.72927367704675 0.08748037085810 15.999 > 61 63 O 0.37492910368769 0.22927367704675 0.58748037085810 15.999 > 61 64 O 0.37492910368769 0.72927367704675 0.58748037085810 15.999 > 61 65 O 0.62507089631231 0.47927367704675 0.41251962914190 15.999 > 65 66 O 0.62507089631231 0.97927367704675 0.41251962914190 15.999 > 65 67 O 0.62507089631231 0.47927367704675 0.91251962914190 15.999 > 65 68 O 0.62507089631231 0.97927367704675 0.91251962914190 15.999 > 65 69 O 0.62281780548575 0.37500000000000 0.14742074356822 15.999 > 69 70 O 0.62281780548575 0.87500000000000 0.14742074356822 15.999 > 69 71 O 0.62281780548575 0.37500000000000 0.64742074356822 15.999 > 69 72 O 0.62281780548575 0.87500000000000 0.64742074356822 15.999 > 69 73 O 0.62507089631231 0.27072632295325 0.41251962914190 15.999 > 73 74 O 0.62507089631231 0.77072632295325 0.41251962914190 15.999 > 73 75 O 0.62507089631231 0.27072632295325 0.91251962914190 15.999 > 73 76 O 0.62507089631231 0.77072632295325 0.91251962914190 15.999 > 73 77 O 0.63339999456167 0.12500000000000 0.21712185861599 15.999 > 77 78 O 0.63339999456167 0.62500000000000 0.21712185861599 15.999 > 77 79 O 0.63339999456167 0.12500000000000 0.71712185861599 15.999 > 77 80 O 0.63339999456167 0.62500000000000 0.71712185861599 15.999 > 77 81 O 0.86660000543833 0.37500000000000 0.46712185861599 15.999 > 81 82 O 0.86660000543833 0.87500000000000 0.46712185861599 15.999 > 81 83 O 0.86660000543833 0.37500000000000 0.96712185861599 15.999 > 81 84 O 0.86660000543833 0.87500000000000 0.96712185861599 15.999 > 81 85 O 0.87492910368769 0.22927367704675 0.16251962914190 15.999 > 85 86 O 0.87492910368769 0.72927367704675 0.16251962914190 15.999 > 85 87 O 0.87492910368769 0.22927367704675 0.66251962914190 15.999 > 85 88 O 0.87492910368769 0.72927367704675 0.66251962914190 15.999 > 85 89 O 0.87718219451425 0.12500000000000 0.39742074356822 15.999 > 89 90 O 0.87718219451425 0.62500000000000 0.39742074356822 15.999 > 89 91 O 0.87718219451425 0.12500000000000 0.89742074356822 15.999 > 89 92 O 0.87718219451425 0.62500000000000 0.89742074356822 15.999 > 89 93 O 0.87492910368769 0.02072632295325 0.16251962914190 15.999 > 93 94 O 0.87492910368769 0.52072632295325 0.16251962914190 15.999 > 93 95 O 0.87492910368769 0.02072632295325 0.66251962914190 15.999 > 93 96 O 0.87492910368769 0.52072632295325 0.66251962914190 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8052573 0.0000000 0.0000000 0.0000000 3.6099458 0.0000000 0.0000000 0.0000000 3.7563595 -------------------------- Born effective charges -------------------------- 1 Zn 2.6792941 0.3669750 -0.1054559 -0.2419838 2.5324549 0.3563099 -0.0109853 -0.4622557 2.5884130 2 Zn 2.6792941 -0.3669750 -0.1054559 0.2419838 2.5324549 -0.3563099 -0.0109853 0.4622557 2.5884130 3 Zn 2.6792941 0.3669750 0.1054559 -0.2419838 2.5324549 -0.3563099 0.0109853 0.4622557 2.5884130 4 Zn 2.6792941 -0.3669750 0.1054559 0.2419838 2.5324549 0.3563099 0.0109853 -0.4622557 2.5884130 5 Se 3.7447731 0.0000000 0.3321461 0.0000000 3.3169521 0.0000000 -0.4943176 0.0000000 3.7145792 6 Se 3.7447731 0.0000000 -0.3321461 0.0000000 3.3169521 0.0000000 0.4943176 0.0000000 3.7145792 7 Se 3.7447731 0.0000000 -0.3321461 0.0000000 3.3169521 0.0000000 0.4943176 0.0000000 3.7145792 8 Se 3.7447731 0.0000000 0.3321461 0.0000000 3.3169521 0.0000000 -0.4943176 0.0000000 3.7145792 9 O -1.2298863 0.3431538 0.3646273 0.3251644 -1.5225716 -0.4954924 0.4412202 -0.5293829 -1.5388445 10 O -1.2557566 0.0000000 -0.7660049 0.0000000 -1.3365474 0.0000000 -0.6280261 0.0000000 -2.2639428 11 O -1.2298863 -0.3431538 0.3646273 -0.3251644 -1.5225716 0.4954924 0.4412202 0.5293829 -1.5388445 12 O -2.7085380 0.0000000 0.1516587 0.0000000 -1.4677165 0.0000000 -0.2671846 0.0000000 -0.9613605 13 O -2.7085380 0.0000000 -0.1516587 0.0000000 -1.4677165 0.0000000 0.2671846 0.0000000 -0.9613605 14 O -1.2557566 0.0000000 0.7660049 0.0000000 -1.3365474 0.0000000 0.6280261 0.0000000 -2.2639428 15 O -1.2298863 0.3431538 -0.3646273 0.3251644 -1.5225716 0.4954924 -0.4412202 0.5293829 -1.5388445 16 O -1.2298863 -0.3431538 -0.3646273 -0.3251644 -1.5225716 -0.4954924 -0.4412202 -0.5293829 -1.5388445 17 O -1.2298863 0.3431538 -0.3646273 0.3251644 -1.5225716 0.4954924 -0.4412202 0.5293829 -1.5388445 18 O -1.2557566 0.0000000 0.7660049 0.0000000 -1.3365474 0.0000000 0.6280261 0.0000000 -2.2639428 19 O -1.2298863 -0.3431538 -0.3646273 -0.3251644 -1.5225716 -0.4954924 -0.4412202 -0.5293829 -1.5388445 20 O -2.7085380 0.0000000 -0.1516587 0.0000000 -1.4677165 0.0000000 0.2671846 0.0000000 -0.9613605 21 O -2.7085380 0.0000000 0.1516587 0.0000000 -1.4677165 0.0000000 -0.2671846 0.0000000 -0.9613605 22 O -1.2298863 -0.3431538 0.3646273 -0.3251644 -1.5225716 0.4954924 0.4412202 0.5293829 -1.5388445 23 O -1.2557566 0.0000000 -0.7660049 0.0000000 -1.3365474 0.0000000 -0.6280261 0.0000000 -2.2639428 24 O -1.2298863 0.3431538 0.3646273 0.3251644 -1.5225716 -0.4954924 0.4412202 -0.5293829 -1.5388445 ---------------------------------------------------------------------------- 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[ 37, 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[ 45, 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: -0.00000015 (xxx) -0.00000015 (xxx) -0.00000015 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) 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 2026-01-09 03:35:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:35:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.067629170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.727947390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924005230000000 Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 3 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 4 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 5 Se 0.18036232096320 0.75000000000000 0.52855531343152 78.960 6 Se 0.31963767903680 0.25000000000000 0.02855531343152 78.960 7 Se 0.68036232096320 0.75000000000000 0.97144468656848 78.960 8 Se 0.81963767903680 0.25000000000000 0.47144468656848 78.960 9 O 0.12507089631231 0.95854735409350 0.67496074171620 15.999 10 O 0.12281780548575 0.75000000000000 0.20515851286357 15.999 11 O 0.12507089631231 0.54145264590650 0.67496074171620 15.999 12 O 0.13339999456167 0.25000000000000 0.06575628276802 15.999 13 O 0.36660000543833 0.75000000000000 0.56575628276802 15.999 14 O 0.37718219451425 0.25000000000000 0.70515851286357 15.999 15 O 0.37492910368769 0.04145264590650 0.17496074171620 15.999 16 O 0.37492910368769 0.45854735409350 0.17496074171620 15.999 17 O 0.62507089631231 0.95854735409350 0.82503925828380 15.999 18 O 0.62281780548575 0.75000000000000 0.29484148713643 15.999 19 O 0.62507089631231 0.54145264590650 0.82503925828380 15.999 20 O 0.63339999456167 0.25000000000000 0.43424371723198 15.999 21 O 0.86660000543833 0.75000000000000 0.93424371723198 15.999 22 O 0.87492910368769 0.45854735409350 0.32503925828380 15.999 23 O 0.87718219451425 0.25000000000000 0.79484148713643 15.999 24 O 0.87492910368769 0.04145264590650 0.32503925828380 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.067629170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.455894779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.848010459999999 Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 1 3 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 1 4 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 1 5 Zn 0.00000000000000 0.25000000000000 0.00000000000000 65.380 > 5 6 Zn 0.00000000000000 0.75000000000000 0.00000000000000 65.380 > 5 7 Zn 0.00000000000000 0.25000000000000 0.50000000000000 65.380 > 5 8 Zn 0.00000000000000 0.75000000000000 0.50000000000000 65.380 > 5 9 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 9 10 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 9 11 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 9 12 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 9 13 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 13 14 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 13 15 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 13 16 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 13 17 Se 0.18036232096320 0.37500000000000 0.26427765671576 78.960 > 17 18 Se 0.18036232096320 0.87500000000000 0.26427765671576 78.960 > 17 19 Se 0.18036232096320 0.37500000000000 0.76427765671576 78.960 > 17 20 Se 0.18036232096320 0.87500000000000 0.76427765671576 78.960 > 17 21 Se 0.31963767903680 0.12500000000000 0.01427765671576 78.960 > 21 22 Se 0.31963767903680 0.62500000000000 0.01427765671576 78.960 > 21 23 Se 0.31963767903680 0.12500000000000 0.51427765671576 78.960 > 21 24 Se 0.31963767903680 0.62500000000000 0.51427765671576 78.960 > 21 25 Se 0.68036232096320 0.37500000000000 0.48572234328424 78.960 > 25 26 Se 0.68036232096320 0.87500000000000 0.48572234328424 78.960 > 25 27 Se 0.68036232096320 0.37500000000000 0.98572234328424 78.960 > 25 28 Se 0.68036232096320 0.87500000000000 0.98572234328424 78.960 > 25 29 Se 0.81963767903680 0.12500000000000 0.23572234328424 78.960 > 29 30 Se 0.81963767903680 0.62500000000000 0.23572234328424 78.960 > 29 31 Se 0.81963767903680 0.12500000000000 0.73572234328424 78.960 > 29 32 Se 0.81963767903680 0.62500000000000 0.73572234328424 78.960 > 29 33 O 0.12507089631231 0.47927367704675 0.33748037085810 15.999 > 33 34 O 0.12507089631231 0.97927367704675 0.33748037085810 15.999 > 33 35 O 0.12507089631231 0.47927367704675 0.83748037085810 15.999 > 33 36 O 0.12507089631231 0.97927367704675 0.83748037085810 15.999 > 33 37 O 0.12281780548575 0.37500000000000 0.10257925643178 15.999 > 37 38 O 0.12281780548575 0.87500000000000 0.10257925643178 15.999 > 37 39 O 0.12281780548575 0.37500000000000 0.60257925643178 15.999 > 37 40 O 0.12281780548575 0.87500000000000 0.60257925643178 15.999 > 37 41 O 0.12507089631231 0.27072632295325 0.33748037085810 15.999 > 41 42 O 0.12507089631231 0.77072632295325 0.33748037085810 15.999 > 41 43 O 0.12507089631231 0.27072632295325 0.83748037085810 15.999 > 41 44 O 0.12507089631231 0.77072632295325 0.83748037085810 15.999 > 41 45 O 0.13339999456167 0.12500000000000 0.03287814138401 15.999 > 45 46 O 0.13339999456167 0.62500000000000 0.03287814138401 15.999 > 45 47 O 0.13339999456167 0.12500000000000 0.53287814138401 15.999 > 45 48 O 0.13339999456167 0.62500000000000 0.53287814138401 15.999 > 45 49 O 0.36660000543833 0.37500000000000 0.28287814138401 15.999 > 49 50 O 0.36660000543833 0.87500000000000 0.28287814138401 15.999 > 49 51 O 0.36660000543833 0.37500000000000 0.78287814138401 15.999 > 49 52 O 0.36660000543833 0.87500000000000 0.78287814138401 15.999 > 49 53 O 0.37718219451425 0.12500000000000 0.35257925643178 15.999 > 53 54 O 0.37718219451425 0.62500000000000 0.35257925643178 15.999 > 53 55 O 0.37718219451425 0.12500000000000 0.85257925643178 15.999 > 53 56 O 0.37718219451425 0.62500000000000 0.85257925643178 15.999 > 53 57 O 0.37492910368769 0.02072632295325 0.08748037085810 15.999 > 57 58 O 0.37492910368769 0.52072632295325 0.08748037085810 15.999 > 57 59 O 0.37492910368769 0.02072632295325 0.58748037085810 15.999 > 57 60 O 0.37492910368769 0.52072632295325 0.58748037085810 15.999 > 57 61 O 0.37492910368769 0.22927367704675 0.08748037085810 15.999 > 61 62 O 0.37492910368769 0.72927367704675 0.08748037085810 15.999 > 61 63 O 0.37492910368769 0.22927367704675 0.58748037085810 15.999 > 61 64 O 0.37492910368769 0.72927367704675 0.58748037085810 15.999 > 61 65 O 0.62507089631231 0.47927367704675 0.41251962914190 15.999 > 65 66 O 0.62507089631231 0.97927367704675 0.41251962914190 15.999 > 65 67 O 0.62507089631231 0.47927367704675 0.91251962914190 15.999 > 65 68 O 0.62507089631231 0.97927367704675 0.91251962914190 15.999 > 65 69 O 0.62281780548575 0.37500000000000 0.14742074356822 15.999 > 69 70 O 0.62281780548575 0.87500000000000 0.14742074356822 15.999 > 69 71 O 0.62281780548575 0.37500000000000 0.64742074356822 15.999 > 69 72 O 0.62281780548575 0.87500000000000 0.64742074356822 15.999 > 69 73 O 0.62507089631231 0.27072632295325 0.41251962914190 15.999 > 73 74 O 0.62507089631231 0.77072632295325 0.41251962914190 15.999 > 73 75 O 0.62507089631231 0.27072632295325 0.91251962914190 15.999 > 73 76 O 0.62507089631231 0.77072632295325 0.91251962914190 15.999 > 73 77 O 0.63339999456167 0.12500000000000 0.21712185861599 15.999 > 77 78 O 0.63339999456167 0.62500000000000 0.21712185861599 15.999 > 77 79 O 0.63339999456167 0.12500000000000 0.71712185861599 15.999 > 77 80 O 0.63339999456167 0.62500000000000 0.71712185861599 15.999 > 77 81 O 0.86660000543833 0.37500000000000 0.46712185861599 15.999 > 81 82 O 0.86660000543833 0.87500000000000 0.46712185861599 15.999 > 81 83 O 0.86660000543833 0.37500000000000 0.96712185861599 15.999 > 81 84 O 0.86660000543833 0.87500000000000 0.96712185861599 15.999 > 81 85 O 0.87492910368769 0.22927367704675 0.16251962914190 15.999 > 85 86 O 0.87492910368769 0.72927367704675 0.16251962914190 15.999 > 85 87 O 0.87492910368769 0.22927367704675 0.66251962914190 15.999 > 85 88 O 0.87492910368769 0.72927367704675 0.66251962914190 15.999 > 85 89 O 0.87718219451425 0.12500000000000 0.39742074356822 15.999 > 89 90 O 0.87718219451425 0.62500000000000 0.39742074356822 15.999 > 89 91 O 0.87718219451425 0.12500000000000 0.89742074356822 15.999 > 89 92 O 0.87718219451425 0.62500000000000 0.89742074356822 15.999 > 89 93 O 0.87492910368769 0.02072632295325 0.16251962914190 15.999 > 93 94 O 0.87492910368769 0.52072632295325 0.16251962914190 15.999 > 93 95 O 0.87492910368769 0.02072632295325 0.66251962914190 15.999 > 93 96 O 0.87492910368769 0.52072632295325 0.66251962914190 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8052573 0.0000000 0.0000000 0.0000000 3.6099458 0.0000000 0.0000000 0.0000000 3.7563595 -------------------------- Born effective charges -------------------------- 1 Zn 2.6792941 0.3669750 -0.1054559 -0.2419838 2.5324549 0.3563099 -0.0109853 -0.4622557 2.5884130 2 Zn 2.6792941 -0.3669750 -0.1054559 0.2419838 2.5324549 -0.3563099 -0.0109853 0.4622557 2.5884130 3 Zn 2.6792941 0.3669750 0.1054559 -0.2419838 2.5324549 -0.3563099 0.0109853 0.4622557 2.5884130 4 Zn 2.6792941 -0.3669750 0.1054559 0.2419838 2.5324549 0.3563099 0.0109853 -0.4622557 2.5884130 5 Se 3.7447731 0.0000000 0.3321461 0.0000000 3.3169521 0.0000000 -0.4943176 0.0000000 3.7145792 6 Se 3.7447731 0.0000000 -0.3321461 0.0000000 3.3169521 0.0000000 0.4943176 0.0000000 3.7145792 7 Se 3.7447731 0.0000000 -0.3321461 0.0000000 3.3169521 0.0000000 0.4943176 0.0000000 3.7145792 8 Se 3.7447731 0.0000000 0.3321461 0.0000000 3.3169521 0.0000000 -0.4943176 0.0000000 3.7145792 9 O -1.2298863 0.3431538 0.3646273 0.3251644 -1.5225716 -0.4954924 0.4412202 -0.5293829 -1.5388445 10 O -1.2557566 0.0000000 -0.7660049 0.0000000 -1.3365474 0.0000000 -0.6280261 0.0000000 -2.2639428 11 O -1.2298863 -0.3431538 0.3646273 -0.3251644 -1.5225716 0.4954924 0.4412202 0.5293829 -1.5388445 12 O -2.7085380 0.0000000 0.1516587 0.0000000 -1.4677165 0.0000000 -0.2671846 0.0000000 -0.9613605 13 O -2.7085380 0.0000000 -0.1516587 0.0000000 -1.4677165 0.0000000 0.2671846 0.0000000 -0.9613605 14 O -1.2557566 0.0000000 0.7660049 0.0000000 -1.3365474 0.0000000 0.6280261 0.0000000 -2.2639428 15 O -1.2298863 0.3431538 -0.3646273 0.3251644 -1.5225716 0.4954924 -0.4412202 0.5293829 -1.5388445 16 O -1.2298863 -0.3431538 -0.3646273 -0.3251644 -1.5225716 -0.4954924 -0.4412202 -0.5293829 -1.5388445 17 O -1.2298863 0.3431538 -0.3646273 0.3251644 -1.5225716 0.4954924 -0.4412202 0.5293829 -1.5388445 18 O -1.2557566 0.0000000 0.7660049 0.0000000 -1.3365474 0.0000000 0.6280261 0.0000000 -2.2639428 19 O -1.2298863 -0.3431538 -0.3646273 -0.3251644 -1.5225716 -0.4954924 -0.4412202 -0.5293829 -1.5388445 20 O -2.7085380 0.0000000 -0.1516587 0.0000000 -1.4677165 0.0000000 0.2671846 0.0000000 -0.9613605 21 O -2.7085380 0.0000000 0.1516587 0.0000000 -1.4677165 0.0000000 -0.2671846 0.0000000 -0.9613605 22 O -1.2298863 -0.3431538 0.3646273 -0.3251644 -1.5225716 0.4954924 0.4412202 0.5293829 -1.5388445 23 O -1.2557566 0.0000000 -0.7660049 0.0000000 -1.3365474 0.0000000 -0.6280261 0.0000000 -2.2639428 24 O -1.2298863 0.3431538 0.3646273 0.3251644 -1.5225716 -0.4954924 0.4412202 -0.5293829 -1.5388445 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000015 (xxx) -0.00000015 (xxx) -0.00000015 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 301, Lambda: 0.12 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: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.424 ( 0.000 0.000 0.000) 0.000 0.479 ( 0.000 0.000 0.000) 0.000 1.531 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000 9.806 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 10.825 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.442 ( 0.000 0.000 0.000) 0.000 11.465 ( 0.000 0.000 0.000) 0.000 11.571 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 12.073 ( 0.000 0.000 0.000) 0.000 12.653 ( 0.000 0.000 0.000) 0.000 13.768 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.979 ( 0.000 0.000 0.000) 0.000 21.644 ( 0.000 0.000 0.000) 0.000 22.163 ( 0.000 0.000 0.000) 0.000 22.290 ( 0.000 0.000 0.000) 0.000 22.481 ( 0.000 0.000 0.000) 0.000 23.014 ( 0.000 0.000 0.000) 0.000 23.424 ( 0.000 0.000 0.000) 0.000 23.796 ( 0.000 0.000 0.000) 0.000 24.064 ( 0.000 0.000 0.000) 0.000 24.833 ( 0.000 0.000 0.000) 0.000 25.253 ( 0.000 0.000 0.000) 0.000 25.468 ( 0.000 0.000 0.000) 0.000 25.760 ( 0.000 0.000 0.000) 0.000 25.862 ( 0.000 0.000 0.000) 0.000 25.974 ( 0.000 0.000 0.000) 0.000 26.168 ( 0.000 0.000 0.000) 0.000 26.312 ( 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: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 4.740 0.000 0.000) 4.740 0.436 ( 22.639 0.000 0.000) 22.639 0.480 ( -0.037 0.000 0.000) 0.037 0.597 ( 26.121 0.000 0.000) 26.121 1.122 ( 59.895 0.000 0.000) 59.895 1.486 ( -4.699 0.000 0.000) 4.699 2.455 ( -16.050 0.000 0.000) 16.050 3.068 ( 14.255 0.000 0.000) 14.255 3.350 ( 5.304 0.000 0.000) 5.304 3.404 ( 4.188 0.000 0.000) 4.188 3.474 ( 3.634 0.000 0.000) 3.634 3.680 ( -0.655 0.000 0.000) 0.655 3.916 ( -1.941 0.000 0.000) 1.941 3.928 ( 2.289 0.000 0.000) 2.289 3.950 ( -2.017 0.000 0.000) 2.017 4.113 ( 0.186 0.000 0.000) 0.186 4.141 ( -9.636 0.000 0.000) 9.636 4.420 ( -3.444 0.000 0.000) 3.444 4.676 ( -0.324 0.000 0.000) 0.324 4.740 ( 2.908 0.000 0.000) 2.908 4.964 ( 7.086 0.000 0.000) 7.086 5.235 ( -6.089 0.000 0.000) 6.089 5.339 ( -9.010 0.000 0.000) 9.010 5.408 ( -23.543 0.000 0.000) 23.543 5.912 ( -17.931 0.000 0.000) 17.931 6.270 ( 7.447 0.000 0.000) 7.447 6.362 ( -5.610 0.000 0.000) 5.610 6.385 ( 7.703 0.000 0.000) 7.703 6.468 ( 19.732 0.000 0.000) 19.732 6.747 ( 1.670 0.000 0.000) 1.670 7.548 ( 2.709 0.000 0.000) 2.709 7.979 ( -2.290 0.000 0.000) 2.290 7.980 ( 7.511 0.000 0.000) 7.511 8.906 ( -6.236 0.000 0.000) 6.236 8.972 ( 5.901 0.000 0.000) 5.901 9.143 ( 2.013 0.000 0.000) 2.013 9.545 ( -3.970 0.000 0.000) 3.970 9.682 ( -7.084 0.000 0.000) 7.084 9.833 ( 1.194 0.000 0.000) 1.194 9.899 ( 1.258 0.000 0.000) 1.258 10.708 ( -0.659 0.000 0.000) 0.659 10.802 ( -2.271 0.000 0.000) 2.271 11.197 ( 1.216 0.000 0.000) 1.216 11.235 ( 0.734 0.000 0.000) 0.734 11.237 ( 2.794 0.000 0.000) 2.794 11.456 ( 1.433 0.000 0.000) 1.433 11.463 ( -0.259 0.000 0.000) 0.259 11.566 ( -0.513 0.000 0.000) 0.513 11.668 ( -3.365 0.000 0.000) 3.365 11.669 ( -3.261 0.000 0.000) 3.261 12.547 ( 0.623 0.000 0.000) 0.623 12.644 ( -0.925 0.000 0.000) 0.925 13.794 ( 2.767 0.000 0.000) 2.767 14.101 ( -3.102 0.000 0.000) 3.102 14.505 ( 5.726 0.000 0.000) 5.726 14.954 ( -2.684 0.000 0.000) 2.684 21.687 ( 4.548 0.000 0.000) 4.548 22.216 ( -6.282 0.000 0.000) 6.282 22.556 ( 6.341 0.000 0.000) 6.341 22.987 ( -2.836 0.000 0.000) 2.836 23.432 ( 2.568 0.000 0.000) 2.568 23.768 ( -2.975 0.000 0.000) 2.975 24.065 ( 0.218 0.000 0.000) 0.218 24.164 ( -1.826 0.000 0.000) 1.826 24.870 ( 3.768 0.000 0.000) 3.768 25.229 ( -2.567 0.000 0.000) 2.567 25.762 ( 0.249 0.000 0.000) 0.249 25.840 ( -1.836 0.000 0.000) 1.836 26.012 ( 3.503 0.000 0.000) 3.503 26.170 ( 0.139 0.000 0.000) 0.139 26.182 ( -0.089 0.000 0.000) 0.089 26.294 ( -1.943 0.000 0.000) 1.943 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 1.695 0.000 0.000) 1.695 0.473 ( -0.706 0.000 0.000) 0.706 0.818 ( 18.760 0.000 0.000) 18.760 1.121 ( 28.791 0.000 0.000) 28.791 1.343 ( -9.768 0.000 0.000) 9.768 2.093 ( -22.773 0.000 0.000) 22.773 2.202 ( 55.864 0.000 0.000) 55.864 3.369 ( 17.027 0.000 0.000) 17.027 3.426 ( -0.126 0.000 0.000) 0.126 3.508 ( 6.822 0.000 0.000) 6.822 3.557 ( 5.304 0.000 0.000) 5.304 3.657 ( -2.093 0.000 0.000) 2.093 3.855 ( -5.099 0.000 0.000) 5.099 3.912 ( -1.673 0.000 0.000) 1.673 3.940 ( -11.264 0.000 0.000) 11.264 3.979 ( -1.187 0.000 0.000) 1.187 4.126 ( 1.553 0.000 0.000) 1.553 4.320 ( -7.269 0.000 0.000) 7.269 4.527 ( -21.857 0.000 0.000) 21.857 4.622 ( -6.398 0.000 0.000) 6.398 5.005 ( 9.137 0.000 0.000) 9.137 5.130 ( -4.427 0.000 0.000) 4.427 5.174 ( -7.491 0.000 0.000) 7.491 5.459 ( 18.329 0.000 0.000) 18.329 5.559 ( -19.044 0.000 0.000) 19.044 6.160 ( -15.434 0.000 0.000) 15.434 6.414 ( 7.305 0.000 0.000) 7.305 6.505 ( 3.958 0.000 0.000) 3.958 6.723 ( 7.955 0.000 0.000) 7.955 6.776 ( 1.300 0.000 0.000) 1.300 7.637 ( 6.969 0.000 0.000) 6.969 7.910 ( -5.377 0.000 0.000) 5.377 8.186 ( 14.493 0.000 0.000) 14.493 8.739 ( -11.904 0.000 0.000) 11.904 9.122 ( 9.937 0.000 0.000) 9.937 9.201 ( 4.445 0.000 0.000) 4.445 9.440 ( -7.054 0.000 0.000) 7.054 9.521 ( -10.120 0.000 0.000) 10.120 9.862 ( 1.789 0.000 0.000) 1.789 9.908 ( -0.241 0.000 0.000) 0.241 10.699 ( -0.047 0.000 0.000) 0.047 10.753 ( -2.717 0.000 0.000) 2.717 11.223 ( 1.398 0.000 0.000) 1.398 11.246 ( 0.318 0.000 0.000) 0.318 11.309 ( 4.795 0.000 0.000) 4.795 11.453 ( -1.209 0.000 0.000) 1.209 11.489 ( 2.029 0.000 0.000) 2.029 11.551 ( -1.107 0.000 0.000) 1.107 11.596 ( -3.961 0.000 0.000) 3.961 11.599 ( -3.461 0.000 0.000) 3.461 12.564 ( 1.235 0.000 0.000) 1.235 12.621 ( -1.533 0.000 0.000) 1.533 13.862 ( 4.414 0.000 0.000) 4.414 14.032 ( -4.254 0.000 0.000) 4.254 14.632 ( 7.577 0.000 0.000) 7.577 14.882 ( -5.141 0.000 0.000) 5.141 21.800 ( 7.343 0.000 0.000) 7.343 22.088 ( -7.518 0.000 0.000) 7.518 22.682 ( 7.036 0.000 0.000) 7.036 22.913 ( -5.019 0.000 0.000) 5.019 23.499 ( 4.533 0.000 0.000) 4.533 23.692 ( -5.025 0.000 0.000) 5.025 24.073 ( 0.686 0.000 0.000) 0.686 24.126 ( -2.121 0.000 0.000) 2.121 24.960 ( 5.620 0.000 0.000) 5.620 25.162 ( -4.575 0.000 0.000) 4.575 25.770 ( 0.568 0.000 0.000) 0.568 25.807 ( -1.550 0.000 0.000) 1.550 26.087 ( 4.449 0.000 0.000) 4.449 26.173 ( 0.193 0.000 0.000) 0.193 26.180 ( -0.151 0.000 0.000) 0.151 26.243 ( -3.495 0.000 0.000) 3.495 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -1.426 0.000 0.000) 1.426 0.453 ( 1.426 0.000 0.000) 1.426 1.122 ( -14.265 0.000 0.000) 14.265 1.122 ( 14.265 0.000 0.000) 14.265 1.635 ( -26.772 0.000 0.000) 26.772 1.635 ( 26.772 0.000 0.000) 26.772 3.116 ( -38.829 0.000 0.000) 38.829 3.116 ( 38.829 0.000 0.000) 38.829 3.593 ( -5.694 0.000 0.000) 5.694 3.593 ( 5.694 0.000 0.000) 5.694 3.660 ( -11.457 0.000 0.000) 11.457 3.660 ( 11.457 0.000 0.000) 11.457 3.706 ( -10.896 0.000 0.000) 10.896 3.706 ( 10.896 0.000 0.000) 10.896 3.912 ( -2.463 0.000 0.000) 2.463 3.912 ( 2.463 0.000 0.000) 2.463 4.188 ( -5.714 0.000 0.000) 5.714 4.188 ( 5.714 0.000 0.000) 5.714 4.458 ( -9.002 0.000 0.000) 9.002 4.458 ( 9.002 0.000 0.000) 9.002 5.095 ( -0.960 0.000 0.000) 0.960 5.095 ( 0.960 0.000 0.000) 0.960 5.241 ( -15.348 0.000 0.000) 15.348 5.241 ( 15.348 0.000 0.000) 15.348 5.827 ( -20.027 0.000 0.000) 20.027 5.827 ( 20.027 0.000 0.000) 20.027 6.513 ( -2.887 0.000 0.000) 2.887 6.513 ( 2.887 0.000 0.000) 2.887 6.789 ( -0.453 0.000 0.000) 0.453 6.789 ( 0.453 0.000 0.000) 0.453 7.783 ( -8.107 0.000 0.000) 8.107 7.783 ( 8.107 0.000 0.000) 8.107 8.477 ( -15.972 0.000 0.000) 15.972 8.477 ( 15.972 0.000 0.000) 15.972 9.307 ( -6.865 0.000 0.000) 6.865 9.307 ( 6.865 0.000 0.000) 6.865 9.321 ( -11.256 0.000 0.000) 11.256 9.321 ( 11.256 0.000 0.000) 11.256 9.892 ( -1.395 0.000 0.000) 1.395 9.892 ( 1.395 0.000 0.000) 1.395 10.712 ( -1.537 0.000 0.000) 1.537 10.712 ( 1.537 0.000 0.000) 1.537 11.243 ( -0.678 0.000 0.000) 0.678 11.243 ( 0.678 0.000 0.000) 0.678 11.400 ( -4.542 0.000 0.000) 4.542 11.400 ( 4.542 0.000 0.000) 4.542 11.525 ( -1.740 0.000 0.000) 1.740 11.525 ( 1.740 0.000 0.000) 1.740 11.559 ( -0.395 0.000 0.000) 0.395 11.559 ( 0.395 0.000 0.000) 0.395 12.591 ( -1.623 0.000 0.000) 1.623 12.591 ( 1.623 0.000 0.000) 1.623 13.948 ( -4.751 0.000 0.000) 4.751 13.948 ( 4.751 0.000 0.000) 4.751 14.769 ( -6.998 0.000 0.000) 6.998 14.769 ( 6.998 0.000 0.000) 6.998 21.944 ( -8.034 0.000 0.000) 8.034 21.944 ( 8.034 0.000 0.000) 8.034 22.807 ( -6.446 0.000 0.000) 6.446 22.807 ( 6.446 0.000 0.000) 6.446 23.593 ( -5.523 0.000 0.000) 5.523 23.593 ( 5.523 0.000 0.000) 5.523 24.092 ( -1.446 0.000 0.000) 1.446 24.092 ( 1.446 0.000 0.000) 1.446 25.066 ( -5.700 0.000 0.000) 5.700 25.066 ( 5.700 0.000 0.000) 5.700 25.784 ( -1.010 0.000 0.000) 1.010 25.784 ( 1.010 0.000 0.000) 1.010 26.170 ( -4.374 0.000 0.000) 4.374 26.170 ( 4.374 0.000 0.000) 4.374 26.176 ( -0.185 0.000 0.000) 0.185 26.176 ( 0.185 0.000 0.000) 0.185 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 0.000 24.435 0.000) 24.435 0.572 ( 0.000 26.952 0.000) 26.952 0.828 ( 0.000 25.645 0.000) 25.645 0.921 ( 0.000 42.065 0.000) 42.065 1.354 ( 0.000 5.145 0.000) 5.145 1.589 ( 0.000 5.161 0.000) 5.161 2.643 ( 0.000 1.254 0.000) 1.254 2.759 ( 0.000 -1.607 0.000) 1.607 3.018 ( 0.000 9.915 0.000) 9.915 3.270 ( 0.000 -14.619 0.000) 14.619 3.288 ( 0.000 -6.499 0.000) 6.499 3.327 ( 0.000 2.032 0.000) 2.032 3.629 ( 0.000 -5.326 0.000) 5.326 3.809 ( 0.000 -8.432 0.000) 8.432 3.895 ( 0.000 -29.923 0.000) 29.923 3.949 ( 0.000 -12.197 0.000) 12.197 4.276 ( 0.000 0.563 0.000) 0.563 4.700 ( 0.000 -0.107 0.000) 0.107 4.796 ( 0.000 3.868 0.000) 3.868 4.846 ( 0.000 0.866 0.000) 0.866 5.028 ( 0.000 16.265 0.000) 16.265 5.475 ( 0.000 14.148 0.000) 14.148 5.645 ( 0.000 18.440 0.000) 18.440 5.671 ( 0.000 -14.486 0.000) 14.486 5.821 ( 0.000 -8.325 0.000) 8.325 6.128 ( 0.000 -4.762 0.000) 4.762 6.153 ( 0.000 3.155 0.000) 3.155 6.160 ( 0.000 4.785 0.000) 4.785 6.378 ( 0.000 4.984 0.000) 4.984 6.671 ( 0.000 -0.259 0.000) 0.259 7.353 ( 0.000 -12.121 0.000) 12.121 7.353 ( 0.000 -1.961 0.000) 1.961 8.126 ( 0.000 15.639 0.000) 15.639 8.902 ( 0.000 -1.283 0.000) 1.283 8.938 ( 0.000 -2.354 0.000) 2.354 9.133 ( 0.000 0.566 0.000) 0.566 9.748 ( 0.000 -0.863 0.000) 0.863 9.828 ( 0.000 2.083 0.000) 2.083 9.853 ( 0.000 -2.053 0.000) 2.053 10.263 ( 0.000 -2.092 0.000) 2.092 10.721 ( 0.000 0.562 0.000) 0.562 10.767 ( 0.000 -5.019 0.000) 5.019 10.930 ( 0.000 -1.710 0.000) 1.710 11.108 ( 0.000 -10.192 0.000) 10.192 11.230 ( 0.000 1.835 0.000) 1.835 11.463 ( 0.000 1.724 0.000) 1.724 11.476 ( 0.000 0.768 0.000) 0.768 11.493 ( 0.000 -2.600 0.000) 2.600 11.703 ( 0.000 -0.804 0.000) 0.804 11.863 ( 0.000 9.654 0.000) 9.654 12.043 ( 0.000 -2.688 0.000) 2.688 12.541 ( 0.000 -8.314 0.000) 8.314 13.936 ( 0.000 13.562 0.000) 13.562 14.510 ( 0.000 5.795 0.000) 5.795 14.957 ( 0.000 -2.094 0.000) 2.094 15.454 ( 0.000 -4.250 0.000) 4.250 21.669 ( 0.000 2.316 0.000) 2.316 22.136 ( 0.000 -2.458 0.000) 2.458 22.303 ( 0.000 1.265 0.000) 1.265 22.477 ( 0.000 -0.401 0.000) 0.401 23.031 ( 0.000 1.666 0.000) 1.666 23.402 ( 0.000 -2.020 0.000) 2.020 23.788 ( 0.000 -0.547 0.000) 0.547 24.047 ( 0.000 -1.601 0.000) 1.601 24.850 ( 0.000 1.553 0.000) 1.553 25.251 ( 0.000 -0.122 0.000) 0.122 25.396 ( 0.000 -5.973 0.000) 5.973 25.773 ( 0.000 -12.733 0.000) 12.733 25.921 ( 0.000 5.275 0.000) 5.275 26.301 ( 0.000 6.638 0.000) 6.638 26.392 ( 0.000 6.764 0.000) 6.764 27.079 ( 0.000 -2.083 0.000) 2.083 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 10.684 18.217 0.000) 21.119 0.666 ( 17.098 14.312 0.000) 22.298 0.850 ( 2.951 25.524 0.000) 25.694 0.991 ( -16.238 25.551 0.000) 30.274 1.477 ( 44.525 25.860 0.000) 51.489 1.554 ( -3.509 6.231 0.000) 7.151 2.458 ( -16.663 0.716 0.000) 16.678 3.129 ( 7.429 4.199 0.000) 8.533 3.244 ( 21.562 -20.766 0.000) 29.936 3.297 ( 4.676 -11.784 0.000) 12.678 3.329 ( 6.463 -8.273 0.000) 10.498 3.364 ( 2.265 -3.135 0.000) 3.867 3.569 ( -5.076 -12.566 0.000) 13.552 3.850 ( 3.180 -8.211 0.000) 8.806 3.953 ( 2.157 -5.914 0.000) 6.295 3.982 ( 7.064 -21.550 0.000) 22.679 4.237 ( -2.970 3.098 0.000) 4.292 4.516 ( -17.733 17.336 0.000) 24.799 4.730 ( 3.609 -0.245 0.000) 3.618 4.950 ( 4.283 -1.241 0.000) 4.459 5.012 ( -1.683 15.726 0.000) 15.816 5.371 ( -7.385 4.844 0.000) 8.832 5.447 ( -15.082 8.462 0.000) 17.293 5.513 ( -10.821 15.626 0.000) 19.007 5.877 ( -14.210 -3.723 0.000) 14.689 6.180 ( 10.795 -11.636 0.000) 15.872 6.211 ( 2.622 -5.748 0.000) 6.318 6.291 ( 11.352 -4.635 0.000) 12.262 6.520 ( 10.023 1.619 0.000) 10.153 6.661 ( -0.185 -1.115 0.000) 1.130 7.378 ( 2.957 -12.221 0.000) 12.574 7.573 ( 14.986 -14.392 0.000) 20.777 8.183 ( 6.187 14.976 0.000) 16.203 8.876 ( -4.872 -2.378 0.000) 5.421 8.962 ( 4.530 -0.884 0.000) 4.615 9.149 ( 1.775 0.347 0.000) 1.809 9.675 ( -6.599 -0.493 0.000) 6.618 9.799 ( -7.034 4.627 0.000) 8.420 9.876 ( 1.333 -1.946 0.000) 2.359 9.927 ( -15.570 8.428 0.000) 17.705 10.701 ( -0.980 -0.044 0.000) 0.981 10.748 ( -1.901 -4.685 0.000) 5.056 11.073 ( 5.853 -6.464 0.000) 8.720 11.120 ( 1.083 -9.701 0.000) 9.761 11.272 ( 3.905 1.833 0.000) 4.314 11.465 ( -0.995 -0.215 0.000) 1.018 11.479 ( 1.727 1.977 0.000) 2.626 11.502 ( 0.735 -1.457 0.000) 1.631 11.665 ( -3.445 -0.364 0.000) 3.464 11.827 ( -3.780 9.343 0.000) 10.079 12.179 ( 9.837 -12.491 0.000) 15.900 12.526 ( -1.570 -8.713 0.000) 8.853 13.968 ( 3.419 13.882 0.000) 14.297 14.556 ( 4.642 4.942 0.000) 6.781 14.868 ( -35.078 27.508 0.000) 44.578 14.936 ( -2.264 -1.732 0.000) 2.850 21.714 ( 4.856 2.563 0.000) 5.491 22.237 ( -5.734 1.893 0.000) 6.038 22.545 ( 5.802 -1.010 0.000) 5.889 22.837 ( 17.878 -24.079 0.000) 29.990 23.200 ( 32.177 -19.141 0.000) 37.440 23.431 ( 3.835 -3.691 0.000) 5.322 23.759 ( -3.068 -0.647 0.000) 3.135 24.040 ( -0.775 -2.344 0.000) 2.468 24.873 ( 2.744 1.311 0.000) 3.041 25.228 ( -2.437 0.008 0.000) 2.437 25.437 ( 3.935 -9.025 0.000) 9.845 25.742 ( -2.867 -11.401 0.000) 11.756 25.954 ( 3.044 3.538 0.000) 4.667 26.317 ( 1.741 7.111 0.000) 7.321 26.344 ( -5.104 6.930 0.000) 8.607 26.827 ( -17.883 13.479 0.000) 22.394 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.691 20.144 0.000) 20.323 0.831 ( -3.762 25.214 0.000) 25.493 0.990 ( 11.774 16.369 0.000) 20.164 1.073 ( 22.403 1.403 0.000) 22.446 1.467 ( -3.908 8.287 0.000) 9.162 2.091 ( -22.596 0.253 0.000) 22.597 2.350 ( 47.089 11.750 0.000) 48.533 3.241 ( 5.660 -11.338 0.000) 12.672 3.356 ( -4.668 -8.698 0.000) 9.871 3.381 ( 4.246 -11.888 0.000) 12.624 3.413 ( 5.645 -9.940 0.000) 11.431 3.456 ( -4.251 -17.970 0.000) 18.466 3.560 ( 8.234 -11.186 0.000) 13.890 3.854 ( -1.964 -5.802 0.000) 6.125 4.077 ( 1.984 -9.968 0.000) 10.163 4.090 ( 8.992 7.889 0.000) 11.962 4.197 ( -2.881 6.274 0.000) 6.904 4.272 ( -8.853 15.964 0.000) 18.254 4.598 ( -16.311 6.251 0.000) 17.468 4.933 ( -8.586 17.555 0.000) 19.542 4.989 ( 10.222 -1.321 0.000) 10.307 5.263 ( -6.403 10.782 0.000) 12.540 5.293 ( -10.897 11.346 0.000) 15.731 5.488 ( 16.683 2.703 0.000) 16.901 5.557 ( -17.873 -0.334 0.000) 17.877 6.110 ( -11.784 -3.397 0.000) 12.264 6.355 ( 7.669 -9.009 0.000) 11.831 6.466 ( 5.541 -3.312 0.000) 6.456 6.652 ( 4.184 -6.395 0.000) 7.643 6.679 ( 1.490 -4.748 0.000) 4.976 7.475 ( 7.699 -12.461 0.000) 14.648 7.718 ( 0.567 -14.013 0.000) 14.025 8.343 ( 10.639 11.787 0.000) 15.878 8.743 ( -9.190 0.383 0.000) 9.198 9.084 ( 8.096 -2.512 0.000) 8.477 9.196 ( 3.088 -0.812 0.000) 3.192 9.534 ( -8.103 1.397 0.000) 8.223 9.563 ( -11.142 8.099 0.000) 13.775 9.866 ( 0.457 0.372 0.000) 0.589 9.888 ( -0.015 -1.720 0.000) 1.720 10.685 ( -0.675 -0.742 0.000) 1.003 10.709 ( -1.996 -3.653 0.000) 4.163 11.133 ( 1.676 -5.991 0.000) 6.221 11.140 ( 0.909 -8.501 0.000) 8.549 11.348 ( 3.965 1.811 0.000) 4.360 11.442 ( -1.467 -0.462 0.000) 1.538 11.517 ( 0.963 -0.622 0.000) 1.146 11.524 ( 3.036 2.831 0.000) 4.151 11.600 ( -2.835 0.376 0.000) 2.860 11.734 ( -5.961 8.281 0.000) 10.204 12.325 ( 6.153 -14.040 0.000) 15.329 12.484 ( -2.965 -9.920 0.000) 10.354 14.058 ( 6.281 15.139 0.000) 16.390 14.422 ( -16.008 24.239 0.000) 29.048 14.663 ( 6.394 2.878 0.000) 7.011 14.875 ( -4.348 -0.681 0.000) 4.401 21.833 ( 7.627 3.149 0.000) 8.251 22.118 ( -7.073 2.813 0.000) 7.612 22.661 ( 6.453 -2.019 0.000) 6.761 22.865 ( -3.694 -5.383 0.000) 6.529 23.480 ( 4.922 -1.720 0.000) 5.214 23.681 ( -5.192 -0.932 0.000) 5.275 23.754 ( 17.537 -25.184 0.000) 30.689 24.015 ( -2.113 -5.098 0.000) 5.518 24.952 ( 5.615 0.320 0.000) 5.624 25.163 ( -4.607 0.161 0.000) 4.610 25.521 ( 4.835 -12.411 0.000) 13.320 25.680 ( -3.723 -11.502 0.000) 12.089 26.021 ( 4.130 2.985 0.000) 5.096 26.224 ( -7.050 6.682 0.000) 9.713 26.366 ( 3.630 8.525 0.000) 9.266 26.582 ( -9.231 14.363 0.000) 17.074 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -0.956 23.278 0.000) 23.298 0.795 ( 0.956 23.278 0.000) 23.298 1.194 ( -8.307 7.771 0.000) 11.375 1.194 ( 8.307 7.771 0.000) 11.375 1.656 ( -23.136 2.307 0.000) 23.251 1.656 ( 23.136 2.307 0.000) 23.251 3.086 ( -28.507 -3.645 0.000) 28.739 3.086 ( 28.507 -3.645 0.000) 28.739 3.347 ( -5.626 -18.072 0.000) 18.927 3.347 ( 5.626 -18.072 0.000) 18.927 3.456 ( -1.308 -14.161 0.000) 14.221 3.456 ( 1.308 -14.161 0.000) 14.221 3.727 ( -11.378 -0.986 0.000) 11.421 3.727 ( 11.378 -0.986 0.000) 11.421 4.071 ( -1.434 7.508 0.000) 7.644 4.071 ( 1.434 7.508 0.000) 7.644 4.181 ( -2.569 5.811 0.000) 6.353 4.181 ( 2.569 5.811 0.000) 6.353 4.670 ( -16.947 14.645 0.000) 22.398 4.670 ( 16.947 14.645 0.000) 22.398 5.188 ( -2.050 7.855 0.000) 8.118 5.188 ( 2.050 7.855 0.000) 8.118 5.253 ( -13.743 1.452 0.000) 13.819 5.253 ( 13.743 1.452 0.000) 13.819 5.824 ( -18.124 0.001 0.000) 18.124 5.824 ( 18.124 0.001 0.000) 18.124 6.470 ( -4.196 -5.118 0.000) 6.619 6.470 ( 4.196 -5.118 0.000) 6.619 6.692 ( -0.483 -7.374 0.000) 7.390 6.692 ( 0.483 -7.374 0.000) 7.390 7.634 ( -8.222 -12.407 0.000) 14.884 7.634 ( 8.222 -12.407 0.000) 14.884 8.550 ( -11.355 5.849 0.000) 12.773 8.550 ( 11.355 5.849 0.000) 12.773 9.214 ( -3.673 -4.324 0.000) 5.673 9.214 ( 3.673 -4.324 0.000) 5.673 9.439 ( -0.811 6.364 0.000) 6.415 9.439 ( 0.811 6.364 0.000) 6.415 9.880 ( -0.777 -1.046 0.000) 1.303 9.880 ( 0.777 -1.046 0.000) 1.303 10.683 ( -0.651 -2.126 0.000) 2.223 10.683 ( 0.651 -2.126 0.000) 2.223 11.148 ( -0.100 -7.039 0.000) 7.039 11.148 ( 0.100 -7.039 0.000) 7.039 11.408 ( -2.427 0.322 0.000) 2.448 11.408 ( 2.427 0.322 0.000) 2.448 11.539 ( -1.341 0.013 0.000) 1.341 11.539 ( 1.341 0.013 0.000) 1.341 11.625 ( -5.278 6.002 0.000) 7.993 11.625 ( 5.278 6.002 0.000) 7.993 12.418 ( -4.230 -11.881 0.000) 12.612 12.418 ( 4.230 -11.881 0.000) 12.612 14.200 ( -9.343 18.196 0.000) 20.455 14.200 ( 9.343 18.196 0.000) 20.455 14.779 ( -5.939 0.938 0.000) 6.013 14.779 ( 5.939 0.938 0.000) 6.013 21.979 ( -7.944 3.325 0.000) 8.612 21.979 ( 7.944 3.325 0.000) 8.612 22.775 ( -5.785 -3.196 0.000) 6.609 22.775 ( 5.785 -3.196 0.000) 6.609 23.578 ( -5.698 -1.303 0.000) 5.845 23.578 ( 5.698 -1.303 0.000) 5.845 23.949 ( -5.806 -11.758 0.000) 13.113 23.949 ( 5.806 -11.758 0.000) 13.113 25.063 ( -6.028 0.067 0.000) 6.028 25.063 ( 6.028 0.067 0.000) 6.028 25.606 ( -4.340 -12.599 0.000) 13.325 25.606 ( 4.340 -12.599 0.000) 13.325 26.107 ( -5.456 4.511 0.000) 7.079 26.107 ( 5.456 4.511 0.000) 7.079 26.451 ( -5.624 10.897 0.000) 12.263 26.451 ( 5.624 10.897 0.000) 12.263 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 24.984 0.000) 24.984 1.135 ( 0.000 25.407 0.000) 25.407 1.403 ( 0.000 26.547 0.000) 26.547 1.488 ( 0.000 6.820 0.000) 6.820 1.736 ( 0.000 8.612 0.000) 8.612 1.756 ( 0.000 35.749 0.000) 35.749 2.704 ( 0.000 4.293 0.000) 4.293 2.718 ( 0.000 -1.973 0.000) 1.973 2.872 ( 0.000 -20.502 0.000) 20.502 3.126 ( 0.000 -8.124 0.000) 8.124 3.247 ( 0.000 -30.195 0.000) 30.195 3.276 ( 0.000 -9.591 0.000) 9.591 3.283 ( 0.000 11.934 0.000) 11.934 3.459 ( 0.000 -10.713 0.000) 10.713 3.657 ( 0.000 -2.532 0.000) 2.532 3.664 ( 0.000 -12.791 0.000) 12.791 4.285 ( 0.000 1.233 0.000) 1.233 4.688 ( 0.000 -1.426 0.000) 1.426 4.867 ( 0.000 0.947 0.000) 0.947 4.893 ( 0.000 5.397 0.000) 5.397 5.317 ( 0.000 -17.671 0.000) 17.671 5.335 ( 0.000 13.630 0.000) 13.630 5.576 ( 0.000 -13.759 0.000) 13.759 5.824 ( 0.000 17.395 0.000) 17.395 6.011 ( 0.000 -6.339 0.000) 6.339 6.097 ( 0.000 18.760 0.000) 18.760 6.280 ( 0.000 11.598 0.000) 11.598 6.302 ( 0.000 8.281 0.000) 8.281 6.443 ( 0.000 0.476 0.000) 0.476 6.620 ( 0.000 -4.675 0.000) 4.675 7.075 ( 0.000 -13.808 0.000) 13.808 7.276 ( 0.000 -5.958 0.000) 5.958 8.487 ( 0.000 17.389 0.000) 17.389 8.867 ( 0.000 -1.911 0.000) 1.911 8.875 ( 0.000 -3.149 0.000) 3.149 9.132 ( 0.000 -1.193 0.000) 1.193 9.727 ( 0.000 -0.858 0.000) 0.858 9.802 ( 0.000 -2.514 0.000) 2.514 9.895 ( 0.000 4.134 0.000) 4.134 10.199 ( 0.000 -3.824 0.000) 3.824 10.642 ( 0.000 -5.753 0.000) 5.753 10.740 ( 0.000 1.246 0.000) 1.246 10.859 ( 0.000 -11.962 0.000) 11.962 10.882 ( 0.000 -2.649 0.000) 2.649 11.287 ( 0.000 3.421 0.000) 3.421 11.468 ( 0.000 -0.248 0.000) 0.248 11.487 ( 0.000 0.134 0.000) 0.134 11.492 ( 0.000 0.192 0.000) 0.192 11.697 ( 0.000 1.029 0.000) 1.029 11.966 ( 0.000 -4.416 0.000) 4.416 12.049 ( 0.000 7.537 0.000) 7.537 12.378 ( 0.000 -6.310 0.000) 6.310 14.253 ( 0.000 14.942 0.000) 14.942 14.678 ( 0.000 9.615 0.000) 9.615 14.886 ( 0.000 -4.712 0.000) 4.712 15.323 ( 0.000 -7.841 0.000) 7.841 21.739 ( 0.000 4.201 0.000) 4.201 22.062 ( 0.000 -4.381 0.000) 4.381 22.341 ( 0.000 2.161 0.000) 2.161 22.463 ( 0.000 -0.987 0.000) 0.987 23.083 ( 0.000 3.151 0.000) 3.151 23.341 ( 0.000 -3.616 0.000) 3.616 23.786 ( 0.000 0.694 0.000) 0.694 23.993 ( 0.000 -3.450 0.000) 3.450 24.899 ( 0.000 3.126 0.000) 3.126 25.249 ( 0.000 -7.331 0.000) 7.331 25.251 ( 0.000 0.296 0.000) 0.296 25.519 ( 0.000 -10.380 0.000) 10.380 26.066 ( 0.000 7.829 0.000) 7.829 26.386 ( 0.000 1.163 0.000) 1.163 26.564 ( 0.000 8.772 0.000) 8.772 27.012 ( 0.000 -4.220 0.000) 4.220 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.600 21.681 0.000) 21.689 1.088 ( 4.842 22.852 0.000) 23.359 1.414 ( -4.747 15.640 0.000) 16.344 1.419 ( 1.530 26.302 0.000) 26.346 1.711 ( -2.635 8.585 0.000) 8.980 2.058 ( 26.897 25.952 0.000) 37.376 2.502 ( -17.418 2.985 0.000) 17.672 2.919 ( 1.351 -17.247 0.000) 17.300 2.927 ( 13.929 -11.579 0.000) 18.113 3.121 ( -4.781 -20.807 0.000) 21.350 3.172 ( 4.048 -10.297 0.000) 11.064 3.179 ( -3.817 -9.828 0.000) 10.543 3.239 ( -7.250 -6.561 0.000) 9.778 3.647 ( 14.409 -12.499 0.000) 19.074 3.695 ( 7.591 -1.995 0.000) 7.849 3.899 ( 15.996 -0.433 0.000) 16.001 4.304 ( 2.872 4.575 0.000) 5.402 4.729 ( 6.127 -0.564 0.000) 6.153 4.785 ( -9.675 10.216 0.000) 14.070 4.922 ( 0.381 -0.869 0.000) 0.948 5.304 ( 2.866 -8.209 0.000) 8.695 5.309 ( -2.150 13.277 0.000) 13.450 5.628 ( 2.488 -12.926 0.000) 13.164 5.766 ( -8.660 16.751 0.000) 18.857 5.912 ( -12.445 2.461 0.000) 12.686 6.038 ( -5.356 9.462 0.000) 10.873 6.181 ( -5.760 1.449 0.000) 5.939 6.275 ( 3.573 3.872 0.000) 5.269 6.505 ( 1.911 -2.993 0.000) 3.551 6.658 ( 1.714 0.367 0.000) 1.752 7.094 ( 2.412 -14.133 0.000) 14.337 7.345 ( 5.699 -10.187 0.000) 11.672 8.524 ( 3.785 16.168 0.000) 16.605 8.830 ( -2.849 -1.530 0.000) 3.234 8.925 ( 4.134 -2.521 0.000) 4.843 9.139 ( 0.710 -1.812 0.000) 1.946 9.671 ( -4.690 0.443 0.000) 4.711 9.825 ( 1.409 -2.678 0.000) 3.026 9.868 ( -3.156 3.225 0.000) 4.513 10.020 ( -14.623 0.950 0.000) 14.654 10.635 ( -0.541 -4.895 0.000) 4.925 10.719 ( -1.252 1.737 0.000) 2.141 10.885 ( 2.506 -11.336 0.000) 11.610 10.955 ( 4.425 -4.991 0.000) 6.670 11.323 ( 3.441 3.015 0.000) 4.575 11.459 ( -0.823 0.032 0.000) 0.823 11.493 ( 0.545 -0.247 0.000) 0.599 11.513 ( 2.077 0.154 0.000) 2.083 11.672 ( -2.204 1.961 0.000) 2.950 12.003 ( 3.804 -6.273 0.000) 7.336 12.009 ( -4.178 7.538 0.000) 8.619 12.355 ( -2.410 -6.653 0.000) 7.076 14.286 ( 3.617 14.707 0.000) 15.145 14.698 ( 2.050 8.084 0.000) 8.340 14.876 ( -1.071 -4.052 0.000) 4.191 15.121 ( -17.953 1.432 0.000) 18.010 21.795 ( 5.927 5.060 0.000) 7.793 22.294 ( -4.086 3.381 0.000) 5.304 22.361 ( 24.000 -15.786 0.000) 28.726 22.512 ( 4.171 -2.176 0.000) 4.705 23.133 ( 6.852 1.952 0.000) 7.124 23.365 ( 2.552 -3.515 0.000) 4.344 23.753 ( -3.507 0.423 0.000) 3.532 23.968 ( -2.836 -4.300 0.000) 5.151 24.920 ( 2.251 3.016 0.000) 3.763 25.232 ( -2.126 0.456 0.000) 2.174 25.264 ( 1.690 -7.593 0.000) 7.779 25.497 ( -2.310 -10.166 0.000) 10.425 26.087 ( 2.315 7.739 0.000) 8.078 26.408 ( 2.394 1.281 0.000) 2.715 26.518 ( -4.851 8.809 0.000) 10.057 26.920 ( -8.712 -1.089 0.000) 8.780 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 8.293 13.089 0.000) 15.495 1.188 ( 5.089 19.820 0.000) 20.463 1.394 ( 4.014 21.514 0.000) 21.885 1.450 ( 1.849 23.500 0.000) 23.573 1.652 ( -2.819 8.856 0.000) 9.294 2.132 ( -21.816 4.152 0.000) 22.207 2.573 ( 25.525 5.850 0.000) 26.187 2.905 ( -1.773 -18.171 0.000) 18.258 2.966 ( -3.516 -23.299 0.000) 23.563 3.105 ( -6.056 -13.594 0.000) 14.882 3.114 ( 1.742 -13.492 0.000) 13.604 3.152 ( -1.007 -15.538 0.000) 15.571 3.414 ( 18.295 -1.684 0.000) 18.372 3.807 ( 3.019 1.544 0.000) 3.390 3.892 ( 11.017 -8.260 0.000) 13.770 4.104 ( 3.024 -3.276 0.000) 4.458 4.482 ( 16.564 15.970 0.000) 23.009 4.609 ( -8.174 15.827 0.000) 17.813 4.759 ( -10.289 8.542 0.000) 13.373 4.951 ( 14.441 -2.013 0.000) 14.581 5.249 ( -6.268 12.240 0.000) 13.751 5.476 ( 7.755 3.417 0.000) 8.474 5.522 ( -14.117 -2.706 0.000) 14.374 5.589 ( -2.158 9.840 0.000) 10.074 5.614 ( -16.224 14.880 0.000) 22.014 6.044 ( 4.650 -14.946 0.000) 15.652 6.059 ( -6.667 -2.351 0.000) 7.069 6.388 ( 1.217 -4.834 0.000) 4.984 6.490 ( 1.157 -5.817 0.000) 5.931 6.657 ( -1.747 1.762 0.000) 2.481 7.176 ( 6.666 -15.025 0.000) 16.437 7.405 ( -0.554 -15.297 0.000) 15.307 8.608 ( 4.850 12.386 0.000) 13.302 8.766 ( -3.844 2.094 0.000) 4.378 9.020 ( 5.789 -3.716 0.000) 6.879 9.150 ( -0.046 -3.799 0.000) 3.800 9.587 ( -3.589 3.663 0.000) 5.128 9.712 ( -11.070 5.684 0.000) 12.444 9.843 ( 0.552 -2.521 0.000) 2.581 9.872 ( -2.205 0.023 0.000) 2.205 10.633 ( 0.480 -2.564 0.000) 2.608 10.692 ( -1.843 1.683 0.000) 2.496 10.938 ( 3.024 -9.749 0.000) 10.207 11.000 ( 0.599 -6.363 0.000) 6.391 11.385 ( 2.712 2.001 0.000) 3.370 11.441 ( -1.093 0.395 0.000) 1.162 11.506 ( 0.917 -0.722 0.000) 1.168 11.545 ( 0.202 -1.302 0.000) 1.317 11.662 ( 2.779 5.411 0.000) 6.083 11.904 ( -7.005 7.399 0.000) 10.189 12.092 ( 5.529 -8.445 0.000) 10.094 12.291 ( -4.449 -7.562 0.000) 8.773 14.384 ( 7.061 14.087 0.000) 15.758 14.744 ( 1.893 4.747 0.000) 5.110 14.797 ( -14.865 10.055 0.000) 17.947 14.847 ( -2.062 -2.116 0.000) 2.955 21.934 ( 8.475 6.439 0.000) 10.644 22.205 ( -5.607 5.309 0.000) 7.722 22.593 ( 4.426 -4.341 0.000) 6.199 22.650 ( 5.857 -14.014 0.000) 15.189 23.384 ( 18.494 -7.571 0.000) 19.983 23.435 ( 5.155 -3.162 0.000) 6.048 23.663 ( -6.026 -0.423 0.000) 6.041 23.881 ( -6.995 -6.868 0.000) 9.803 24.983 ( 4.545 2.425 0.000) 5.152 25.172 ( -4.327 0.843 0.000) 4.408 25.308 ( 2.993 -8.233 0.000) 8.761 25.440 ( -3.643 -9.683 0.000) 10.346 26.152 ( 4.690 7.884 0.000) 9.173 26.398 ( -7.635 8.900 0.000) 11.726 26.476 ( 4.971 1.685 0.000) 5.249 26.745 ( -9.399 2.036 0.000) 9.617 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -0.484 18.397 0.000) 18.404 1.244 ( 0.484 18.397 0.000) 18.404 1.483 ( -0.415 17.748 0.000) 17.753 1.483 ( 0.415 17.748 0.000) 17.753 1.749 ( -17.176 6.959 0.000) 18.532 1.749 ( 17.176 6.959 0.000) 18.532 2.872 ( -4.078 -19.763 0.000) 20.179 2.872 ( 4.078 -19.763 0.000) 20.179 2.972 ( -7.378 -12.278 0.000) 14.324 2.972 ( 7.378 -12.278 0.000) 14.324 3.138 ( -0.902 -15.125 0.000) 15.152 3.138 ( 0.902 -15.125 0.000) 15.152 3.735 ( -12.805 2.343 0.000) 13.018 3.735 ( 12.805 2.343 0.000) 13.018 4.048 ( -6.786 -4.293 0.000) 8.030 4.048 ( 6.786 -4.293 0.000) 8.030 4.531 ( -1.326 20.321 0.000) 20.364 4.531 ( 1.326 20.321 0.000) 20.364 4.957 ( -22.731 11.001 0.000) 25.253 4.957 ( 22.731 11.001 0.000) 25.253 5.266 ( -17.729 1.406 0.000) 17.785 5.266 ( 17.729 1.406 0.000) 17.785 5.427 ( -0.935 12.352 0.000) 12.387 5.427 ( 0.935 12.352 0.000) 12.387 5.823 ( -15.337 -1.292 0.000) 15.392 5.823 ( 15.337 -1.292 0.000) 15.392 6.241 ( -11.688 -15.178 0.000) 19.157 6.241 ( 11.688 -15.178 0.000) 19.157 6.593 ( -5.350 -0.606 0.000) 5.384 6.593 ( 5.350 -0.606 0.000) 5.384 7.320 ( -7.692 -16.226 0.000) 17.957 7.320 ( 7.692 -16.226 0.000) 17.957 8.692 ( -4.232 7.140 0.000) 8.300 8.692 ( 4.232 7.140 0.000) 8.300 9.116 ( -3.957 -5.177 0.000) 6.516 9.116 ( 3.957 -5.177 0.000) 6.516 9.576 ( -3.195 6.322 0.000) 7.084 9.576 ( 3.195 6.322 0.000) 7.084 9.851 ( -0.556 -1.739 0.000) 1.826 9.851 ( 0.556 -1.739 0.000) 1.826 10.655 ( -1.851 0.152 0.000) 1.857 10.655 ( 1.851 0.152 0.000) 1.857 10.986 ( -1.900 -7.862 0.000) 8.088 10.986 ( 1.900 -7.862 0.000) 8.088 11.420 ( -1.309 0.990 0.000) 1.641 11.420 ( 1.309 0.990 0.000) 1.641 11.527 ( -1.297 -1.123 0.000) 1.715 11.527 ( 1.297 -1.123 0.000) 1.715 11.767 ( -7.377 6.877 0.000) 10.085 11.767 ( 7.377 6.877 0.000) 10.085 12.197 ( -5.636 -8.536 0.000) 10.229 12.197 ( 5.636 -8.536 0.000) 10.229 14.548 ( -10.880 12.989 0.000) 16.944 14.548 ( 10.880 12.989 0.000) 16.944 14.802 ( -2.784 0.953 0.000) 2.943 14.802 ( 2.784 0.953 0.000) 2.943 22.085 ( -7.504 6.618 0.000) 10.005 22.085 ( 7.504 6.618 0.000) 10.005 22.662 ( -2.551 -7.505 0.000) 7.926 22.662 ( 2.551 -7.505 0.000) 7.926 23.544 ( -6.583 -1.706 0.000) 6.801 23.544 ( 6.583 -1.706 0.000) 6.801 23.695 ( -13.640 -10.157 0.000) 17.006 23.695 ( 13.640 -10.157 0.000) 17.006 25.079 ( -5.541 1.487 0.000) 5.737 25.079 ( 5.541 1.487 0.000) 5.737 25.371 ( -3.730 -9.003 0.000) 9.745 25.371 ( 3.730 -9.003 0.000) 9.745 26.259 ( -6.961 8.501 0.000) 10.987 26.259 ( 6.961 8.501 0.000) 10.987 26.590 ( -7.389 2.263 0.000) 7.727 26.590 ( 7.389 2.263 0.000) 7.727 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 10.523 0.000) 10.523 1.556 ( 0.000 22.546 0.000) 22.546 1.605 ( 0.000 3.110 0.000) 3.110 1.821 ( 0.000 5.673 0.000) 5.673 2.013 ( 0.000 19.928 0.000) 19.928 2.356 ( 0.000 12.844 0.000) 12.844 2.531 ( 0.000 -4.453 0.000) 4.453 2.643 ( 0.000 -19.549 0.000) 19.549 2.677 ( 0.000 -2.744 0.000) 2.744 2.715 ( 0.000 -9.313 0.000) 9.313 3.018 ( 0.000 -0.614 0.000) 0.614 3.080 ( 0.000 0.403 0.000) 0.403 3.186 ( 0.000 -13.791 0.000) 13.791 3.266 ( 0.000 -11.747 0.000) 11.747 3.619 ( 0.000 5.660 0.000) 5.660 3.667 ( 0.000 0.801 0.000) 0.801 4.379 ( 0.000 8.541 0.000) 8.541 4.596 ( 0.000 -8.556 0.000) 8.556 4.891 ( 0.000 1.803 0.000) 1.803 4.997 ( 0.000 -10.130 0.000) 10.130 5.042 ( 0.000 8.995 0.000) 8.995 5.280 ( 0.000 -13.195 0.000) 13.195 5.614 ( 0.000 12.383 0.000) 12.383 5.847 ( 0.000 -9.338 0.000) 9.338 6.168 ( 0.000 13.944 0.000) 13.944 6.326 ( 0.000 7.686 0.000) 7.686 6.384 ( 0.000 -6.271 0.000) 6.271 6.487 ( 0.000 -7.365 0.000) 7.365 6.507 ( 0.000 11.138 0.000) 11.138 6.690 ( 0.000 21.077 0.000) 21.077 6.776 ( 0.000 -13.897 0.000) 13.897 7.070 ( 0.000 -13.910 0.000) 13.910 8.826 ( 0.000 -1.084 0.000) 1.084 8.827 ( 0.000 13.910 0.000) 13.910 8.830 ( 0.000 -1.237 0.000) 1.237 9.052 ( 0.000 -6.978 0.000) 6.978 9.723 ( 0.000 0.689 0.000) 0.689 9.754 ( 0.000 -1.977 0.000) 1.977 9.996 ( 0.000 5.163 0.000) 5.163 10.105 ( 0.000 -4.944 0.000) 4.944 10.567 ( 0.000 -0.432 0.000) 0.432 10.643 ( 0.000 -7.480 0.000) 7.480 10.774 ( 0.000 2.019 0.000) 2.019 10.824 ( 0.000 -2.633 0.000) 2.633 11.370 ( 0.000 4.223 0.000) 4.223 11.455 ( 0.000 -3.352 0.000) 3.352 11.471 ( 0.000 0.420 0.000) 0.420 11.482 ( 0.000 -0.495 0.000) 0.495 11.759 ( 0.000 4.368 0.000) 4.368 11.863 ( 0.000 -5.093 0.000) 5.093 12.180 ( 0.000 4.950 0.000) 4.950 12.272 ( 0.000 -4.126 0.000) 4.126 14.541 ( 0.000 11.856 0.000) 11.856 14.752 ( 0.000 -8.057 0.000) 8.057 14.901 ( 0.000 10.971 0.000) 10.971 15.129 ( 0.000 -10.228 0.000) 10.228 21.841 ( 0.000 5.301 0.000) 5.301 21.957 ( 0.000 -5.382 0.000) 5.382 22.390 ( 0.000 2.311 0.000) 2.311 22.434 ( 0.000 -1.751 0.000) 1.751 23.162 ( 0.000 4.173 0.000) 4.173 23.255 ( 0.000 -4.388 0.000) 4.388 23.826 ( 0.000 3.029 0.000) 3.029 23.907 ( 0.000 -4.335 0.000) 4.335 24.983 ( 0.000 4.754 0.000) 4.754 25.101 ( 0.000 -6.351 0.000) 6.351 25.272 ( 0.000 1.964 0.000) 1.964 25.349 ( 0.000 -5.610 0.000) 5.610 26.231 ( 0.000 7.216 0.000) 7.216 26.354 ( 0.000 -3.978 0.000) 3.978 26.746 ( 0.000 8.090 0.000) 8.090 26.900 ( 0.000 -6.330 0.000) 6.330 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -3.928 14.325 0.000) 14.854 1.573 ( 1.701 21.525 0.000) 21.592 1.625 ( 1.585 1.829 0.000) 2.420 1.832 ( 0.639 5.243 0.000) 5.281 1.966 ( -3.461 17.871 0.000) 18.203 2.382 ( -0.123 -9.803 0.000) 9.804 2.490 ( -5.364 1.040 0.000) 5.464 2.641 ( 3.665 -0.518 0.000) 3.701 2.743 ( 2.200 -6.874 0.000) 7.217 2.798 ( 6.506 -8.717 0.000) 10.877 2.856 ( -17.060 -6.318 0.000) 18.193 3.039 ( -16.132 -12.018 0.000) 20.116 3.132 ( 14.470 5.938 0.000) 15.641 3.372 ( 17.140 -13.598 0.000) 21.879 3.768 ( 10.110 5.880 0.000) 11.696 3.871 ( 13.096 -3.107 0.000) 13.459 4.467 ( 10.092 10.211 0.000) 14.356 4.663 ( 7.859 -6.499 0.000) 10.198 4.943 ( 3.876 3.502 0.000) 5.224 5.012 ( -2.781 11.998 0.000) 12.316 5.088 ( 10.761 -10.001 0.000) 14.691 5.305 ( 2.141 -15.306 0.000) 15.455 5.580 ( -3.200 11.713 0.000) 12.142 5.794 ( -5.269 -8.336 0.000) 9.861 6.098 ( -8.800 13.833 0.000) 16.395 6.241 ( -8.917 4.189 0.000) 9.852 6.282 ( -16.920 3.102 0.000) 17.202 6.328 ( -5.089 -6.295 0.000) 8.094 6.507 ( 0.479 9.618 0.000) 9.630 6.768 ( 3.542 12.333 0.000) 12.832 6.786 ( 1.638 -14.591 0.000) 14.682 7.084 ( 0.905 -14.584 0.000) 14.613 8.823 ( 0.294 0.987 0.000) 1.030 8.838 ( 0.870 12.743 0.000) 12.772 8.865 ( 2.912 -2.726 0.000) 3.989 9.049 ( -0.393 -7.029 0.000) 7.040 9.703 ( -1.581 2.484 0.000) 2.945 9.765 ( 0.706 -3.032 0.000) 3.113 9.940 ( -5.386 3.363 0.000) 6.350 10.002 ( -9.365 -2.177 0.000) 9.614 10.582 ( 1.727 0.657 0.000) 1.848 10.674 ( 3.146 -7.729 0.000) 8.345 10.773 ( -0.118 3.290 0.000) 3.292 10.855 ( 2.000 -4.360 0.000) 4.796 11.397 ( 2.463 3.778 0.000) 4.510 11.467 ( -0.437 0.609 0.000) 0.750 11.474 ( 1.760 -3.195 0.000) 3.647 11.482 ( 0.014 -0.723 0.000) 0.723 11.756 ( 0.160 5.289 0.000) 5.291 11.877 ( 1.711 -5.873 0.000) 6.117 12.144 ( -3.890 5.206 0.000) 6.499 12.242 ( -3.189 -4.477 0.000) 5.497 14.563 ( 2.476 11.148 0.000) 11.419 14.758 ( 0.661 -7.242 0.000) 7.272 14.882 ( -1.819 8.834 0.000) 9.019 15.052 ( -7.531 -6.517 0.000) 9.959 21.926 ( 8.465 7.221 0.000) 11.126 22.104 ( 13.705 -9.671 0.000) 16.773 22.374 ( -1.470 3.926 0.000) 4.192 22.453 ( 1.564 -3.348 0.000) 3.695 23.197 ( 4.123 3.724 0.000) 5.556 23.282 ( 3.075 -4.124 0.000) 5.144 23.787 ( -4.171 2.827 0.000) 5.039 23.869 ( -4.207 -4.650 0.000) 6.271 25.001 ( 1.929 4.625 0.000) 5.012 25.116 ( 1.628 -6.255 0.000) 6.464 25.256 ( -1.836 2.023 0.000) 2.732 25.331 ( -1.883 -5.455 0.000) 5.771 26.252 ( 2.360 7.261 0.000) 7.635 26.376 ( 2.469 -4.014 0.000) 4.713 26.699 ( -4.900 7.927 0.000) 9.319 26.844 ( -5.684 -5.531 0.000) 7.931 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 4.783 14.236 0.000) 15.018 1.608 ( 1.640 18.403 0.000) 18.476 1.671 ( 3.343 -0.079 0.000) 3.344 1.817 ( -2.874 4.741 0.000) 5.544 1.922 ( -0.219 19.494 0.000) 19.495 2.287 ( -15.885 11.875 0.000) 19.833 2.378 ( 0.632 -21.850 0.000) 21.859 2.575 ( -11.465 -11.784 0.000) 16.442 2.721 ( 3.865 1.497 0.000) 4.145 2.801 ( 1.933 -12.576 0.000) 12.724 2.828 ( -5.060 -11.428 0.000) 12.498 2.857 ( 0.720 -10.217 0.000) 10.243 3.503 ( 21.846 8.499 0.000) 23.442 3.704 ( 16.699 -9.512 0.000) 19.218 3.889 ( 2.186 5.318 0.000) 5.749 4.007 ( 1.423 -5.448 0.000) 5.631 4.745 ( 18.403 7.900 0.000) 20.028 4.858 ( 9.606 -2.986 0.000) 10.059 4.959 ( -2.469 17.167 0.000) 17.344 5.046 ( 10.558 14.597 0.000) 18.015 5.301 ( -5.256 -12.584 0.000) 13.637 5.359 ( 17.098 -12.164 0.000) 20.984 5.523 ( -3.037 8.285 0.000) 8.824 5.708 ( -1.538 -8.535 0.000) 8.673 5.871 ( -13.503 14.407 0.000) 19.746 5.927 ( -19.546 7.149 0.000) 20.813 6.037 ( -12.626 -2.333 0.000) 12.840 6.170 ( -12.157 -13.302 0.000) 18.020 6.567 ( 5.975 10.611 0.000) 12.177 6.776 ( -2.513 10.346 0.000) 10.647 6.853 ( 5.564 -15.065 0.000) 16.060 7.070 ( -3.047 -15.864 0.000) 16.154 8.833 ( 0.697 4.065 0.000) 4.125 8.849 ( 0.225 10.097 0.000) 10.099 8.929 ( 3.677 -4.647 0.000) 5.926 9.033 ( -1.515 -7.152 0.000) 7.311 9.681 ( -0.458 4.803 0.000) 4.825 9.776 ( 0.644 -3.891 0.000) 3.944 9.807 ( -8.080 3.406 0.000) 8.768 9.858 ( -5.017 -1.459 0.000) 5.225 10.632 ( 3.552 2.808 0.000) 4.528 10.748 ( 4.502 -7.716 0.000) 8.933 10.757 ( -1.898 4.342 0.000) 4.739 10.868 ( -0.839 -5.899 0.000) 5.958 11.437 ( 1.453 2.803 0.000) 3.158 11.458 ( -0.468 1.107 0.000) 1.202 11.484 ( 0.288 -1.266 0.000) 1.299 11.498 ( 0.409 -2.746 0.000) 2.777 11.793 ( 4.420 6.581 0.000) 7.928 11.935 ( 4.752 -6.823 0.000) 8.314 12.044 ( -6.754 5.809 0.000) 8.908 12.159 ( -5.686 -5.386 0.000) 7.833 14.631 ( 4.836 9.061 0.000) 10.271 14.776 ( 1.293 -4.845 0.000) 5.014 14.842 ( -2.459 4.113 0.000) 4.792 14.893 ( -8.766 0.077 0.000) 8.767 22.107 ( 9.841 9.773 0.000) 13.869 22.336 ( -2.878 6.749 0.000) 7.337 22.350 ( 10.686 -13.141 0.000) 16.938 22.478 ( 0.900 -6.342 0.000) 6.405 23.329 ( 10.362 0.696 0.000) 10.385 23.372 ( 6.720 -2.801 0.000) 7.280 23.676 ( -7.656 1.892 0.000) 7.887 23.750 ( -8.815 -5.041 0.000) 10.155 25.053 ( 3.620 4.128 0.000) 5.491 25.159 ( 2.921 -5.948 0.000) 6.627 25.205 ( -3.631 2.383 0.000) 4.343 25.283 ( -3.208 -5.283 0.000) 6.181 26.320 ( 5.067 7.429 0.000) 8.993 26.447 ( 5.215 -4.059 0.000) 6.609 26.579 ( -7.668 7.746 0.000) 10.900 26.712 ( -8.092 -4.418 0.000) 9.219 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -4.086 13.944 0.000) 14.530 1.599 ( 4.086 13.944 0.000) 14.530 1.736 ( -4.342 2.661 0.000) 5.092 1.736 ( 4.342 2.661 0.000) 5.092 2.015 ( -11.119 17.853 0.000) 21.033 2.015 ( 11.119 17.853 0.000) 21.033 2.425 ( -4.956 -20.545 0.000) 21.135 2.425 ( 4.956 -20.545 0.000) 21.135 2.770 ( -1.762 -4.795 0.000) 5.109 2.770 ( 1.762 -4.795 0.000) 5.109 2.847 ( -1.536 -10.868 0.000) 10.976 2.847 ( 1.536 -10.868 0.000) 10.976 3.819 ( -10.682 5.180 0.000) 11.872 3.819 ( 10.682 5.180 0.000) 11.872 3.938 ( -8.496 -5.705 0.000) 10.234 3.938 ( 8.496 -5.705 0.000) 10.234 4.928 ( -1.463 14.520 0.000) 14.594 4.928 ( 1.463 14.520 0.000) 14.594 5.086 ( -16.410 -0.390 0.000) 16.414 5.086 ( 16.410 -0.390 0.000) 16.414 5.356 ( -17.805 9.902 0.000) 20.374 5.356 ( 17.805 9.902 0.000) 20.374 5.662 ( -13.234 -14.446 0.000) 19.591 5.662 ( 13.234 -14.446 0.000) 19.591 5.699 ( -1.838 12.343 0.000) 12.479 5.699 ( 1.838 12.343 0.000) 12.479 5.946 ( -8.437 -11.401 0.000) 14.184 5.946 ( 8.437 -11.401 0.000) 14.184 6.689 ( -6.378 9.824 0.000) 11.713 6.689 ( 6.378 9.824 0.000) 11.713 6.974 ( -6.802 -15.752 0.000) 17.158 6.974 ( 6.802 -15.752 0.000) 17.158 8.845 ( -0.549 7.159 0.000) 7.180 8.845 ( 0.549 7.159 0.000) 7.180 8.991 ( -2.965 -6.473 0.000) 7.120 8.991 ( 2.965 -6.473 0.000) 7.120 9.702 ( -3.173 5.346 0.000) 6.217 9.702 ( 3.173 5.346 0.000) 6.217 9.797 ( -1.945 -3.526 0.000) 4.026 9.797 ( 1.945 -3.526 0.000) 4.026 10.703 ( -3.789 4.267 0.000) 5.707 10.703 ( 3.789 4.267 0.000) 5.707 10.826 ( -3.581 -6.969 0.000) 7.835 10.826 ( 3.581 -6.969 0.000) 7.835 11.451 ( -0.344 1.860 0.000) 1.891 11.451 ( 0.344 1.860 0.000) 1.891 11.493 ( -0.595 -1.946 0.000) 2.035 11.493 ( 0.595 -1.946 0.000) 2.035 11.909 ( -7.444 6.430 0.000) 9.837 11.909 ( 7.444 6.430 0.000) 9.837 12.043 ( -6.531 -6.435 0.000) 9.169 12.043 ( 6.531 -6.435 0.000) 9.169 14.741 ( -7.068 5.560 0.000) 8.993 14.741 ( 7.068 5.560 0.000) 8.993 14.806 ( -1.964 -1.019 0.000) 2.213 14.806 ( 1.964 -1.019 0.000) 2.213 22.256 ( -6.123 9.331 0.000) 11.161 22.256 ( 6.123 9.331 0.000) 11.161 22.468 ( -2.694 -10.166 0.000) 10.517 22.468 ( 2.694 -10.166 0.000) 10.517 23.519 ( -8.919 -0.253 0.000) 8.922 23.519 ( 8.919 -0.253 0.000) 8.922 23.551 ( -12.363 -3.675 0.000) 12.898 23.551 ( 12.363 -3.675 0.000) 12.898 25.128 ( -4.410 3.228 0.000) 5.465 25.128 ( 4.410 3.228 0.000) 5.465 25.220 ( -3.536 -5.508 0.000) 6.546 25.220 ( 3.536 -5.508 0.000) 6.546 26.436 ( -7.373 7.640 0.000) 10.618 26.436 ( 7.373 7.640 0.000) 10.618 26.565 ( -7.495 -4.076 0.000) 8.531 26.565 ( 7.495 -4.076 0.000) 8.532 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 0.000 4.667) 4.667 0.476 ( 0.000 0.000 23.660) 23.660 0.506 ( 0.000 0.000 2.472) 2.472 0.638 ( 0.000 0.000 24.941) 24.941 0.840 ( 0.000 0.000 41.906) 41.906 1.774 ( 0.000 0.000 21.712) 21.712 2.681 ( 0.000 0.000 4.459) 4.459 2.864 ( 0.000 0.000 7.984) 7.984 2.894 ( 0.000 0.000 -1.088) 1.088 3.366 ( 0.000 0.000 -0.271) 0.271 3.425 ( 0.000 0.000 -1.227) 1.227 3.541 ( 0.000 0.000 9.448) 9.448 3.714 ( 0.000 0.000 2.513) 2.513 3.935 ( 0.000 0.000 0.095) 0.095 4.129 ( 0.000 0.000 1.649) 1.649 4.282 ( 0.000 0.000 -4.527) 4.527 4.322 ( 0.000 0.000 6.529) 6.529 4.414 ( 0.000 0.000 -3.462) 3.462 4.695 ( 0.000 0.000 1.519) 1.519 4.838 ( 0.000 0.000 0.125) 0.125 5.253 ( 0.000 0.000 -4.626) 4.626 5.401 ( 0.000 0.000 -3.566) 3.566 5.409 ( 0.000 0.000 -3.816) 3.816 5.900 ( 0.000 0.000 -2.121) 2.121 5.998 ( 0.000 0.000 -2.714) 2.714 6.006 ( 0.000 0.000 -8.074) 8.074 6.142 ( 0.000 0.000 0.928) 0.928 6.152 ( 0.000 0.000 -3.788) 3.788 6.268 ( 0.000 0.000 -2.958) 2.958 6.631 ( 0.000 0.000 -3.212) 3.212 7.419 ( 0.000 0.000 3.755) 3.755 7.584 ( 0.000 0.000 -7.408) 7.408 7.905 ( 0.000 0.000 -0.578) 0.578 8.832 ( 0.000 0.000 -13.551) 13.551 9.022 ( 0.000 0.000 9.585) 9.585 9.118 ( 0.000 0.000 0.860) 0.860 9.499 ( 0.000 0.000 -7.680) 7.680 9.588 ( 0.000 0.000 -8.897) 8.897 9.844 ( 0.000 0.000 -4.432) 4.432 9.967 ( 0.000 0.000 8.060) 8.060 10.751 ( 0.000 0.000 3.074) 3.074 10.948 ( 0.000 0.000 -0.027) 0.027 11.179 ( 0.000 0.000 -5.864) 5.864 11.220 ( 0.000 0.000 -0.679) 0.679 11.291 ( 0.000 0.000 7.112) 7.112 11.378 ( 0.000 0.000 -6.280) 6.280 11.560 ( 0.000 0.000 7.996) 7.996 11.600 ( 0.000 0.000 2.897) 2.897 11.659 ( 0.000 0.000 -4.021) 4.021 11.786 ( 0.000 0.000 5.910) 5.910 12.086 ( 0.000 0.000 1.273) 1.273 13.268 ( 0.000 0.000 -3.666) 3.666 13.806 ( 0.000 0.000 3.691) 3.691 14.170 ( 0.000 0.000 3.458) 3.458 14.431 ( 0.000 0.000 -1.327) 1.327 14.980 ( 0.000 0.000 -0.095) 0.095 21.660 ( 0.000 0.000 1.609) 1.609 22.162 ( 0.000 0.000 0.022) 0.022 22.512 ( 0.000 0.000 2.527) 2.527 22.525 ( 0.000 0.000 -6.540) 6.540 23.152 ( 0.000 0.000 10.917) 10.917 23.422 ( 0.000 0.000 -0.027) 0.027 24.048 ( 0.000 0.000 -1.446) 1.446 24.281 ( 0.000 0.000 -4.251) 4.251 24.903 ( 0.000 0.000 6.267) 6.267 25.441 ( 0.000 0.000 -1.953) 1.953 25.743 ( 0.000 0.000 -1.400) 1.400 25.876 ( 0.000 0.000 1.231) 1.231 25.960 ( 0.000 0.000 -1.359) 1.359 26.229 ( 0.000 0.000 5.347) 5.347 26.294 ( 0.000 0.000 -1.750) 1.750 26.787 ( 0.000 0.000 -0.161) 0.161 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 2.155 0.000 1.481) 2.615 0.496 ( -0.533 0.000 2.193) 2.257 0.677 ( 17.674 0.000 17.827) 25.103 0.842 ( 19.530 0.000 20.040) 27.983 1.361 ( 44.682 0.000 22.683) 50.110 1.723 ( -5.030 0.000 21.278) 21.864 2.501 ( -15.498 0.000 4.295) 16.082 3.063 ( 14.290 0.000 -0.383) 14.295 3.161 ( 17.414 0.000 -5.847) 18.370 3.454 ( 7.308 0.000 1.066) 7.385 3.464 ( 3.884 0.000 -1.016) 4.015 3.637 ( 11.470 0.000 2.953) 11.844 3.706 ( -0.930 0.000 2.262) 2.445 3.917 ( -1.971 0.000 0.079) 1.973 4.129 ( 0.086 0.000 1.560) 1.562 4.133 ( -10.481 0.000 -0.672) 10.502 4.252 ( -14.055 0.000 2.478) 14.271 4.389 ( -2.843 0.000 -2.955) 4.100 4.655 ( -1.187 0.000 -0.606) 1.332 4.937 ( 2.341 0.000 8.444) 8.763 5.097 ( -5.553 0.000 7.676) 9.474 5.181 ( -6.322 0.000 -4.963) 8.037 5.313 ( -8.441 0.000 -2.664) 8.852 5.446 ( -24.734 0.000 3.456) 24.975 5.874 ( -14.283 0.000 -3.082) 14.612 6.217 ( 6.629 0.000 -4.990) 8.297 6.249 ( 2.154 0.000 -9.079) 9.332 6.359 ( 7.476 0.000 -2.885) 8.013 6.418 ( 17.366 0.000 -4.051) 17.832 6.703 ( 5.663 0.000 -3.910) 6.881 7.424 ( 2.054 0.000 -6.554) 6.869 7.743 ( 8.016 0.000 -11.181) 13.757 7.971 ( 7.292 0.000 -0.899) 7.347 8.801 ( -3.788 0.000 -11.797) 12.390 9.077 ( 5.857 0.000 9.409) 11.083 9.114 ( 0.024 0.000 -0.500) 0.500 9.460 ( -4.188 0.000 -7.787) 8.841 9.620 ( 1.834 0.000 -7.223) 7.453 9.807 ( -3.108 0.000 -3.454) 4.647 9.956 ( -1.410 0.000 6.582) 6.732 10.650 ( -6.271 0.000 0.436) 6.287 10.851 ( -6.448 0.000 -0.430) 6.462 11.183 ( 2.391 0.000 -0.378) 2.420 11.272 ( 1.698 0.000 -0.166) 1.706 11.303 ( 1.292 0.000 4.377) 4.564 11.391 ( 1.365 0.000 -3.428) 3.689 11.542 ( 0.286 0.000 6.962) 6.967 11.619 ( -3.699 0.000 -3.811) 5.311 11.633 ( 0.468 0.000 5.034) 5.055 11.765 ( -2.445 0.000 6.163) 6.631 12.247 ( 12.074 0.000 -6.477) 13.701 13.024 ( -16.844 0.000 8.634) 18.928 13.829 ( 2.380 0.000 3.286) 4.057 14.132 ( -3.491 0.000 2.867) 4.517 14.496 ( 6.144 0.000 -0.719) 6.186 14.955 ( -2.712 0.000 -0.098) 2.714 21.697 ( 4.075 0.000 1.051) 4.208 22.214 ( -4.802 0.000 -0.171) 4.805 22.490 ( 7.935 0.000 -5.999) 9.948 22.848 ( 11.318 0.000 -14.776) 18.612 23.266 ( 14.383 0.000 0.653) 14.398 23.444 ( 2.340 0.000 -0.418) 2.377 24.043 ( -0.551 0.000 -1.587) 1.680 24.231 ( -4.733 0.000 -2.143) 5.195 24.932 ( 3.015 0.000 5.831) 6.565 25.375 ( -6.264 0.000 2.529) 6.756 25.747 ( 0.412 0.000 -1.276) 1.341 25.848 ( -2.224 0.000 0.587) 2.300 26.002 ( 3.642 0.000 -0.917) 3.755 26.225 ( -0.279 0.000 5.299) 5.306 26.276 ( -1.858 0.000 -1.672) 2.499 26.520 ( -16.721 0.000 14.121) 21.885 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 1.749 0.000 1.120) 2.077 0.485 ( -0.784 0.000 1.417) 1.619 1.020 ( 18.291 0.000 16.722) 24.783 1.265 ( 25.006 0.000 13.031) 28.198 1.561 ( -10.487 0.000 19.299) 21.964 2.157 ( -21.492 0.000 5.972) 22.306 2.269 ( 49.326 0.000 7.400) 49.878 3.362 ( 16.736 0.000 -0.668) 16.750 3.390 ( 8.292 0.000 -0.634) 8.316 3.553 ( 5.675 0.000 -0.422) 5.690 3.562 ( 3.872 0.000 4.432) 5.885 3.675 ( -2.568 0.000 1.478) 2.962 3.799 ( -22.859 0.000 -8.372) 24.344 3.855 ( -5.168 0.000 -0.003) 5.168 3.901 ( 10.467 0.000 -4.181) 11.272 4.053 ( -4.300 0.000 6.874) 8.108 4.139 ( 1.337 0.000 1.299) 1.865 4.305 ( -6.106 0.000 -1.372) 6.258 4.579 ( -9.263 0.000 -0.370) 9.270 4.711 ( -18.524 0.000 9.875) 20.992 5.076 ( -4.091 0.000 -4.906) 6.388 5.123 ( 6.133 0.000 10.209) 11.909 5.148 ( -8.032 0.000 -2.664) 8.462 5.433 ( 15.703 0.000 -2.064) 15.838 5.581 ( -14.935 0.000 2.034) 15.073 6.104 ( -14.054 0.000 -5.184) 14.979 6.356 ( 7.473 0.000 -5.394) 9.216 6.467 ( 3.176 0.000 -3.783) 4.939 6.669 ( 8.813 0.000 -4.675) 9.976 6.779 ( 2.111 0.000 -0.681) 2.218 7.507 ( 7.020 0.000 -10.065) 12.272 7.777 ( -3.381 0.000 -10.260) 10.802 8.171 ( 13.913 0.000 -1.947) 14.049 8.678 ( -9.804 0.000 -7.448) 12.313 9.138 ( 2.943 0.000 -3.961) 4.935 9.224 ( 9.657 0.000 8.733) 13.020 9.352 ( -7.084 0.000 -7.738) 10.491 9.579 ( -6.814 0.000 2.690) 7.325 9.793 ( 2.232 0.000 -5.807) 6.221 9.915 ( -2.935 0.000 1.956) 3.527 10.600 ( 0.469 0.000 -4.521) 4.545 10.738 ( -5.777 0.000 -2.639) 6.351 11.234 ( 2.706 0.000 1.358) 3.028 11.286 ( 0.016 0.000 1.447) 1.447 11.336 ( 2.218 0.000 -0.492) 2.272 11.414 ( 0.221 0.000 0.000) 0.221 11.562 ( 1.537 0.000 6.127) 6.317 11.563 ( -0.959 0.000 -1.415) 1.710 11.621 ( -1.323 0.000 5.874) 6.021 11.696 ( -4.776 0.000 6.278) 7.888 12.442 ( 9.222 0.000 -4.578) 10.296 12.774 ( -10.780 0.000 6.419) 12.547 13.890 ( 4.115 0.000 2.606) 4.870 14.058 ( -4.427 0.000 2.378) 5.025 14.629 ( 7.769 0.000 -0.243) 7.772 14.881 ( -5.186 0.000 -0.102) 5.187 21.801 ( 6.891 0.000 0.174) 6.893 22.085 ( -7.838 0.000 -0.217) 7.841 22.645 ( 8.177 0.000 -3.730) 8.988 22.881 ( -3.431 0.000 -4.579) 5.722 23.491 ( 5.136 0.000 -0.872) 5.209 23.517 ( 6.133 0.000 -7.098) 9.381 24.037 ( 0.437 0.000 -2.120) 2.165 24.140 ( -4.560 0.000 -0.866) 4.642 25.010 ( 5.295 0.000 5.051) 7.317 25.247 ( -7.147 0.000 5.198) 8.838 25.759 ( 0.858 0.000 -0.935) 1.269 25.809 ( -1.893 0.000 0.044) 1.893 26.077 ( 4.353 0.000 -0.927) 4.451 26.225 ( 0.548 0.000 5.297) 5.325 26.228 ( -3.347 0.000 -1.460) 3.651 26.322 ( -6.093 0.000 10.143) 11.832 ======================= Grid point 52 (20/96) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -1.417 0.000 1.199) 1.856 0.465 ( 1.417 0.000 1.199) 1.856 1.326 ( -14.847 0.000 17.848) 23.216 1.326 ( 14.847 0.000 17.848) 23.216 1.728 ( -24.734 0.000 8.716) 26.225 1.728 ( 24.734 0.000 8.716) 26.225 3.116 ( -40.213 0.000 -0.618) 40.218 3.116 ( 40.213 0.000 -0.618) 40.218 3.576 ( -2.869 0.000 -1.773) 3.372 3.576 ( 2.869 0.000 -1.773) 3.372 3.590 ( -6.387 0.000 -0.334) 6.396 3.590 ( 6.387 0.000 -0.334) 6.396 3.710 ( -10.058 0.000 0.204) 10.060 3.710 ( 10.058 0.000 0.204) 10.060 4.025 ( -3.381 0.000 3.859) 5.131 4.025 ( 3.381 0.000 3.859) 5.131 4.194 ( -4.935 0.000 0.520) 4.963 4.194 ( 4.935 0.000 0.520) 4.963 4.489 ( -6.014 0.000 4.258) 7.369 4.489 ( 6.014 0.000 4.258) 7.369 5.053 ( -1.938 0.000 -3.914) 4.367 5.053 ( 1.938 0.000 -3.914) 4.367 5.304 ( -12.478 0.000 5.918) 13.811 5.304 ( 12.478 0.000 5.918) 13.811 5.791 ( -19.030 0.000 -3.239) 19.304 5.791 ( 19.030 0.000 -3.239) 19.304 6.463 ( -3.484 0.000 -4.813) 5.942 6.463 ( 3.484 0.000 -4.813) 5.942 6.770 ( -2.962 0.000 -1.988) 3.568 6.770 ( 2.962 0.000 -1.988) 3.568 7.660 ( -8.421 0.000 -10.152) 13.190 7.660 ( 8.421 0.000 -10.152) 13.190 8.446 ( -14.817 0.000 -3.941) 15.332 8.446 ( 14.817 0.000 -3.941) 15.332 9.224 ( -6.234 0.000 -6.647) 9.113 9.224 ( 6.234 0.000 -6.647) 9.113 9.413 ( -10.321 0.000 7.038) 12.492 9.413 ( 10.321 0.000 7.038) 12.492 9.853 ( -3.622 0.000 -2.901) 4.641 9.853 ( 3.622 0.000 -2.901) 4.641 10.646 ( -4.046 0.000 -4.575) 6.107 10.646 ( 4.046 0.000 -4.575) 6.107 11.273 ( -1.425 0.000 1.844) 2.331 11.273 ( 1.425 0.000 1.844) 2.331 11.383 ( -2.765 0.000 -2.007) 3.417 11.383 ( 2.765 0.000 -2.007) 3.417 11.592 ( -1.707 0.000 5.814) 6.060 11.592 ( 1.707 0.000 5.814) 6.060 11.605 ( -4.548 0.000 4.437) 6.354 11.605 ( 4.548 0.000 4.437) 6.354 12.602 ( -8.562 0.000 0.726) 8.593 12.602 ( 8.562 0.000 0.726) 8.593 13.973 ( -4.712 0.000 2.281) 5.235 13.973 ( 4.712 0.000 2.281) 5.235 14.767 ( -7.073 0.000 -0.116) 7.074 14.767 ( 7.073 0.000 -0.116) 7.074 21.939 ( -7.916 0.000 -0.363) 7.924 21.939 ( 7.916 0.000 -0.363) 7.924 22.783 ( -6.672 0.000 -2.819) 7.243 22.783 ( 6.672 0.000 -2.819) 7.243 23.553 ( -1.759 0.000 -2.449) 3.015 23.553 ( 1.759 0.000 -2.449) 3.015 24.070 ( -2.987 0.000 -1.871) 3.525 24.070 ( 2.987 0.000 -1.871) 3.525 25.120 ( -6.553 0.000 4.918) 8.194 25.120 ( 6.553 0.000 4.918) 8.194 25.779 ( -1.357 0.000 -0.463) 1.434 25.779 ( 1.357 0.000 -0.463) 1.434 26.157 ( -4.212 0.000 -1.176) 4.373 26.157 ( 4.212 0.000 -1.176) 4.373 26.251 ( -2.331 0.000 6.357) 6.770 26.251 ( 2.331 0.000 6.357) 6.770 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 19.295 5.431) 20.045 0.715 ( 0.000 14.608 18.837) 23.837 0.900 ( 0.000 24.823 8.178) 26.135 1.023 ( 0.000 25.623 -11.953) 28.274 1.276 ( 0.000 30.146 25.583) 39.538 1.815 ( 0.000 3.688 20.280) 20.613 2.697 ( 0.000 1.661 4.760) 5.042 2.843 ( 0.000 -1.650 7.784) 7.957 3.003 ( 0.000 9.399 -1.276) 9.485 3.279 ( 0.000 -12.959 0.665) 12.976 3.346 ( 0.000 -2.585 3.715) 4.526 3.457 ( 0.000 -4.301 7.480) 8.628 3.652 ( 0.000 -5.365 2.061) 5.747 3.843 ( 0.000 -14.912 1.317) 14.970 3.967 ( 0.000 -24.357 5.481) 24.966 4.001 ( 0.000 -10.525 4.543) 11.463 4.316 ( 0.000 -0.866 3.970) 4.064 4.384 ( 0.000 8.772 -11.182) 14.212 4.842 ( 0.000 0.575 -0.212) 0.613 4.981 ( 0.000 13.804 -4.591) 14.547 5.132 ( 0.000 -13.952 6.814) 15.527 5.410 ( 0.000 12.872 -6.060) 14.227 5.599 ( 0.000 14.355 -1.539) 14.437 5.802 ( 0.000 -11.253 5.876) 12.695 5.821 ( 0.000 -8.089 -0.212) 8.092 6.042 ( 0.000 3.268 -9.694) 10.230 6.103 ( 0.000 -2.947 -3.264) 4.398 6.126 ( 0.000 1.711 -1.704) 2.415 6.354 ( 0.000 5.069 -2.468) 5.637 6.648 ( 0.000 0.700 -2.506) 2.602 7.345 ( 0.000 -14.444 -2.549) 14.667 7.394 ( 0.000 -2.474 3.282) 4.110 8.098 ( 0.000 14.133 -2.284) 14.317 8.813 ( 0.000 -1.849 -12.841) 12.973 8.994 ( 0.000 -1.717 8.022) 8.203 9.128 ( 0.000 0.868 0.940) 1.279 9.593 ( 0.000 0.462 -8.938) 8.950 9.693 ( 0.000 5.597 -18.191) 19.033 9.874 ( 0.000 3.617 -9.068) 9.763 9.962 ( 0.000 -0.381 7.014) 7.024 10.751 ( 0.000 0.127 2.778) 2.781 10.928 ( 0.000 -1.831 -0.054) 1.832 11.007 ( 0.000 -11.119 4.708) 12.075 11.100 ( 0.000 -9.179 -0.325) 9.185 11.318 ( 0.000 1.218 7.272) 7.373 11.385 ( 0.000 0.504 -6.329) 6.349 11.495 ( 0.000 -2.825 0.102) 2.827 11.538 ( 0.000 0.054 7.248) 7.248 11.787 ( 0.000 -0.184 5.859) 5.862 11.841 ( 0.000 9.298 -1.580) 9.431 12.067 ( 0.000 -1.476 2.074) 2.545 12.704 ( 0.000 -19.268 9.431) 21.452 14.017 ( 0.000 10.797 6.832) 12.778 14.480 ( 0.000 4.291 -2.645) 5.041 14.884 ( 0.000 26.167 -30.284) 40.023 14.965 ( 0.000 -1.340 0.434) 1.408 21.679 ( 0.000 1.909 1.350) 2.338 22.135 ( 0.000 -2.500 -0.022) 2.500 22.431 ( 0.000 -4.944 1.021) 5.049 22.506 ( 0.000 -0.540 2.363) 2.423 23.161 ( 0.000 0.918 10.780) 10.819 23.403 ( 0.000 -1.730 0.261) 1.750 24.032 ( 0.000 -1.536 -1.391) 2.073 24.048 ( 0.000 -12.528 10.805) 16.544 24.911 ( 0.000 1.176 6.357) 6.465 25.374 ( 0.000 -5.410 -1.326) 5.570 25.428 ( 0.000 -11.000 12.200) 16.427 25.830 ( 0.000 -10.408 4.598) 11.378 25.911 ( 0.000 4.992 -0.826) 5.060 26.253 ( 0.000 4.276 -3.906) 5.791 26.415 ( 0.000 6.929 1.660) 7.125 26.948 ( 0.000 3.957 -8.207) 9.111 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.17 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 6.498 14.397 4.006) 16.295 0.857 ( 11.690 15.284 15.687) 24.826 0.905 ( -4.269 28.124 -3.199) 28.626 0.959 ( 6.408 15.436 10.189) 19.574 1.659 ( 35.412 22.688 17.248) 45.456 1.771 ( -4.317 4.328 19.846) 20.766 2.505 ( -16.386 0.838 4.476) 17.007 3.096 ( 14.781 -2.676 -1.860) 15.136 3.117 ( 10.108 0.179 -1.215) 10.182 3.310 ( 4.997 -11.177 1.066) 12.289 3.418 ( 4.840 -5.470 7.081) 10.173 3.498 ( 4.046 -8.595 4.219) 10.394 3.604 ( -2.963 -9.588 2.846) 10.431 3.854 ( 1.481 -8.391 -0.546) 8.538 3.951 ( -1.630 -14.710 2.894) 15.081 4.056 ( 4.782 -12.870 3.926) 14.280 4.264 ( -2.628 4.441 1.640) 5.414 4.338 ( -8.892 8.868 -8.544) 15.189 4.814 ( 0.098 2.968 -1.398) 3.282 4.987 ( -7.324 3.698 3.585) 8.954 5.077 ( 6.258 2.215 3.940) 7.719 5.341 ( -5.202 11.275 -4.161) 13.096 5.419 ( -16.960 6.168 -0.901) 18.069 5.563 ( -12.835 13.501 4.215) 19.099 5.844 ( -11.968 -3.086 -2.805) 12.674 6.128 ( 10.056 -10.642 -5.122) 15.511 6.139 ( 3.953 -5.349 -6.492) 9.294 6.280 ( 9.565 -3.788 -1.465) 10.391 6.463 ( 8.629 1.641 -5.051) 10.132 6.650 ( 1.068 -1.569 -1.404) 2.361 7.303 ( 0.396 -9.970 -4.937) 11.132 7.562 ( 9.580 -10.684 -2.239) 14.523 8.153 ( 6.048 13.617 -2.516) 15.111 8.787 ( -2.996 -1.250 -10.871) 11.346 9.037 ( 4.420 -2.460 7.122) 8.735 9.124 ( -0.045 0.741 -0.428) 0.857 9.548 ( -4.485 2.415 -8.725) 10.103 9.690 ( -1.273 5.260 -13.652) 14.686 9.810 ( -4.763 0.885 -3.362) 5.897 9.946 ( -1.780 -0.772 5.777) 6.094 10.657 ( -6.238 0.621 0.583) 6.296 10.814 ( -5.652 -3.129 0.678) 6.496 11.105 ( 2.737 -6.716 0.519) 7.271 11.132 ( 3.395 -8.759 1.814) 9.567 11.331 ( 1.215 0.881 2.241) 2.697 11.410 ( 2.569 0.807 -1.602) 3.133 11.514 ( 1.188 -2.345 0.818) 2.753 11.551 ( 1.222 0.167 6.891) 7.000 11.716 ( -5.517 1.789 2.129) 6.178 11.847 ( -1.026 7.006 2.909) 7.655 12.161 ( 8.315 -5.631 -0.195) 10.044 12.660 ( -4.325 -16.728 8.399) 19.211 14.026 ( 1.335 11.819 4.953) 12.884 14.532 ( 4.995 4.026 -2.145) 6.765 14.653 ( -17.667 26.308 -14.613) 34.896 14.944 ( -2.395 -0.860 0.330) 2.566 21.721 ( 4.447 2.299 0.808) 5.071 22.227 ( -3.045 1.118 -0.832) 3.349 22.449 ( 9.373 -4.340 -7.153) 12.564 22.714 ( 13.302 -9.801 -5.788) 17.507 23.241 ( 10.351 -1.055 7.219) 12.664 23.425 ( 2.309 -1.692 0.174) 2.867 23.991 ( -3.268 -7.455 4.396) 9.250 24.053 ( -0.461 -6.764 4.179) 7.964 24.938 ( 2.836 0.970 6.217) 6.902 25.314 ( -4.523 -3.908 3.570) 6.963 25.489 ( 4.480 -11.864 6.710) 14.347 25.792 ( -3.122 -8.090 3.845) 9.486 25.950 ( 3.272 2.171 -0.095) 3.928 26.239 ( -1.822 4.838 -4.527) 6.872 26.402 ( -0.916 6.673 2.702) 7.258 26.788 ( -13.165 9.837 -2.834) 16.676 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.263 20.818 0.166) 20.857 0.821 ( -2.637 24.893 -0.793) 25.044 1.135 ( 15.794 10.433 14.035) 23.565 1.246 ( 19.785 2.883 14.247) 24.551 1.651 ( -7.231 6.405 16.961) 19.519 2.152 ( -21.435 0.001 5.726) 22.186 2.405 ( 41.749 10.731 6.019) 43.524 3.206 ( 5.216 -10.939 -2.067) 12.293 3.343 ( 3.223 -8.396 1.220) 9.076 3.400 ( 2.599 -12.198 0.875) 12.502 3.461 ( 1.816 -11.947 3.502) 12.581 3.529 ( -1.321 -11.358 6.287) 13.049 3.588 ( 0.535 -8.846 1.117) 8.933 3.875 ( -6.079 -6.478 1.286) 8.976 3.969 ( 8.343 4.265 -6.750) 11.548 4.127 ( 1.861 -1.389 0.702) 2.426 4.163 ( -4.711 5.455 -3.452) 7.991 4.260 ( 1.907 10.132 2.389) 10.583 4.711 ( -17.602 6.053 4.097) 19.059 4.857 ( -1.563 9.730 -0.093) 9.855 5.111 ( 1.065 3.251 4.615) 5.745 5.227 ( -4.245 10.692 -2.269) 11.726 5.306 ( -11.379 12.771 1.828) 17.203 5.463 ( 13.943 2.969 -1.744) 14.362 5.574 ( -14.043 -0.705 1.670) 14.160 6.064 ( -11.003 -2.908 -4.356) 12.186 6.295 ( 7.970 -8.179 -5.677) 12.753 6.427 ( 4.397 -3.400 -3.808) 6.738 6.602 ( 5.985 -5.061 -4.453) 9.015 6.683 ( 1.313 -6.594 -0.309) 6.731 7.369 ( 6.825 -10.974 -8.412) 15.420 7.639 ( -1.678 -11.207 -7.061) 13.352 8.313 ( 10.852 11.035 -2.799) 15.728 8.694 ( -7.341 1.348 -6.532) 9.918 9.127 ( 3.418 -2.182 -0.935) 4.162 9.150 ( 3.836 -3.021 0.339) 4.894 9.457 ( -4.005 5.580 -4.272) 8.089 9.600 ( -7.452 2.399 0.866) 7.876 9.789 ( 1.928 -0.362 -5.672) 6.002 9.901 ( -2.985 -1.141 1.763) 3.649 10.599 ( -0.267 0.026 -3.478) 3.488 10.714 ( -5.200 -1.770 -1.576) 5.714 11.142 ( 1.731 -8.134 0.546) 8.334 11.172 ( 0.809 -6.374 2.276) 6.817 11.366 ( 2.631 1.370 -1.400) 3.280 11.455 ( 1.071 1.317 3.036) 3.478 11.520 ( 0.030 -1.824 0.399) 1.868 11.579 ( 0.441 0.446 4.599) 4.642 11.635 ( -1.039 2.662 3.167) 4.266 11.794 ( -4.471 6.573 5.373) 9.595 12.315 ( 7.901 -9.296 -0.004) 12.200 12.563 ( -5.880 -13.118 5.658) 15.449 14.079 ( 4.526 13.510 1.886) 14.372 14.370 ( -12.075 21.252 -4.303) 24.819 14.652 ( 6.932 2.100 -0.912) 7.301 14.879 ( -4.644 -0.238 0.151) 4.652 21.831 ( 7.170 2.888 -0.068) 7.730 22.113 ( -7.375 2.623 -0.416) 7.839 22.615 ( 7.971 -3.018 -4.674) 9.721 22.813 ( -1.045 -6.440 -5.144) 8.308 23.472 ( 9.050 -2.146 -2.107) 9.537 23.485 ( 4.685 -2.086 -1.914) 5.474 23.941 ( -1.044 -9.466 4.025) 10.339 24.026 ( -2.398 -6.244 1.699) 6.901 25.012 ( 5.064 0.518 5.533) 7.518 25.221 ( -5.498 -1.510 4.373) 7.185 25.574 ( 4.667 -12.228 4.934) 13.988 25.729 ( -3.669 -8.753 3.905) 10.263 26.016 ( 3.852 1.764 -0.322) 4.249 26.179 ( -4.481 4.949 -3.405) 7.495 26.403 ( 1.443 7.157 2.570) 7.740 26.579 ( -8.770 11.478 -0.063) 14.445 ======================= Grid point 59 (24/96) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.828 23.047 -0.137) 23.062 0.794 ( 0.828 23.047 -0.137) 23.062 1.383 ( -9.736 5.997 16.734) 20.268 1.383 ( 9.736 5.997 16.734) 20.268 1.743 ( -21.023 1.794 8.206) 22.639 1.743 ( 21.023 1.794 8.206) 22.639 3.095 ( -29.877 -3.333 0.212) 30.063 3.095 ( 29.877 -3.333 0.212) 30.063 3.313 ( -6.229 -16.199 -1.818) 17.451 3.313 ( 6.229 -16.199 -1.818) 17.451 3.509 ( -2.313 -11.773 5.312) 13.121 3.509 ( 2.313 -11.773 5.312) 13.121 3.706 ( -9.843 -0.444 -1.492) 9.965 3.706 ( 9.843 -0.444 -1.492) 9.965 4.122 ( -4.686 -0.376 2.724) 5.433 4.122 ( 4.686 -0.376 2.724) 5.433 4.178 ( -7.498 9.961 -0.804) 12.493 4.178 ( 7.498 9.961 -0.804) 12.493 4.682 ( -12.874 13.469 2.115) 18.752 4.682 ( 12.874 13.469 2.115) 18.752 5.156 ( -2.664 8.894 -3.195) 9.819 5.156 ( 2.664 8.894 -3.195) 9.819 5.314 ( -11.425 0.966 5.744) 12.824 5.314 ( 11.425 0.966 5.744) 12.824 5.791 ( -17.459 0.177 -3.031) 17.721 5.791 ( 17.459 0.177 -3.031) 17.721 6.418 ( -4.614 -4.906 -4.980) 8.376 6.418 ( 4.614 -4.906 -4.980) 8.376 6.676 ( -2.136 -7.511 -1.712) 7.994 6.676 ( 2.136 -7.511 -1.712) 7.994 7.528 ( -8.976 -11.142 -8.974) 16.889 7.528 ( 8.976 -11.142 -8.974) 16.889 8.522 ( -10.973 6.132 -3.600) 13.076 8.522 ( 10.973 6.132 -3.600) 13.076 9.178 ( -1.919 -3.637 -4.702) 6.247 9.178 ( 1.919 -3.637 -4.702) 6.247 9.468 ( -5.537 4.302 3.754) 7.953 9.468 ( 5.537 4.302 3.754) 7.953 9.841 ( -3.291 -0.954 -2.779) 4.412 9.841 ( 3.291 -0.954 -2.779) 4.412 10.632 ( -3.462 -0.903 -3.490) 4.998 10.632 ( 3.462 -0.903 -3.490) 4.998 11.169 ( -1.007 -7.305 1.366) 7.499 11.169 ( 1.007 -7.305 1.366) 7.499 11.423 ( -3.305 1.813 -0.148) 3.773 11.423 ( 3.305 1.813 -0.148) 3.773 11.546 ( -2.228 -1.490 2.132) 3.424 11.546 ( 2.228 -1.490 2.132) 3.424 11.698 ( -5.364 5.524 6.067) 9.803 11.698 ( 5.364 5.524 6.067) 9.803 12.448 ( -6.659 -10.980 2.550) 13.092 12.448 ( 6.659 -10.980 2.550) 13.092 14.191 ( -7.718 16.205 -0.665) 17.961 14.191 ( 7.718 16.205 -0.665) 17.961 14.777 ( -6.347 0.800 -0.274) 6.403 14.777 ( 6.347 0.800 -0.274) 6.403 21.972 ( -7.853 3.088 -0.593) 8.459 21.972 ( 7.853 3.088 -0.593) 8.459 22.743 ( -5.775 -3.926 -3.493) 7.808 22.743 ( 5.775 -3.926 -3.493) 7.808 23.541 ( -1.526 -0.972 -1.863) 2.597 23.541 ( 1.526 -0.972 -1.863) 2.597 23.970 ( -3.299 -8.341 1.213) 9.051 23.970 ( 3.299 -8.341 1.213) 9.051 25.115 ( -5.902 -0.134 4.743) 7.573 25.115 ( 5.902 -0.134 4.743) 7.573 25.657 ( -4.232 -10.729 4.253) 12.293 25.657 ( 4.232 -10.729 4.253) 12.293 26.093 ( -4.527 3.182 -1.333) 5.692 26.093 ( 4.527 3.182 -1.333) 5.692 26.459 ( -4.617 9.217 0.827) 10.342 26.459 ( 4.617 9.217 0.827) 10.342 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 18.092 5.734) 18.979 1.118 ( 0.000 22.416 -1.219) 22.449 1.448 ( 0.000 25.323 4.768) 25.768 1.451 ( 0.000 16.039 -3.546) 16.427 1.922 ( 0.000 6.419 16.653) 17.847 1.941 ( 0.000 30.679 17.363) 35.251 2.760 ( 0.000 3.692 5.118) 6.310 2.803 ( 0.000 -1.805 8.333) 8.526 2.921 ( 0.000 -18.142 3.872) 18.551 3.214 ( 0.000 -9.926 6.893) 12.084 3.237 ( 0.000 8.106 -3.154) 8.698 3.272 ( 0.000 -22.529 4.200) 22.917 3.391 ( 0.000 -13.540 7.471) 15.465 3.518 ( 0.000 -5.122 4.139) 6.586 3.660 ( 0.000 -5.579 0.686) 5.621 3.733 ( 0.000 -13.610 6.626) 15.137 4.305 ( 0.000 0.655 1.893) 2.003 4.559 ( 0.000 6.651 -8.849) 11.070 4.854 ( 0.000 0.248 -1.083) 1.111 4.930 ( 0.000 -6.303 0.540) 6.326 5.213 ( 0.000 4.300 -5.279) 6.808 5.483 ( 0.000 -5.779 8.136) 9.979 5.561 ( 0.000 -12.093 -2.362) 12.321 5.746 ( 0.000 14.208 -6.613) 15.671 5.994 ( 0.000 -4.920 -2.051) 5.330 6.077 ( 0.000 16.970 -1.740) 17.059 6.181 ( 0.000 6.750 -9.396) 11.569 6.224 ( 0.000 10.881 -4.999) 11.974 6.417 ( 0.000 0.318 -2.836) 2.853 6.634 ( 0.000 -1.927 -0.172) 1.934 7.047 ( 0.000 -13.479 -2.645) 13.736 7.299 ( 0.000 -7.034 1.668) 7.229 8.415 ( 0.000 14.245 -5.203) 15.165 8.759 ( 0.000 -2.844 -11.255) 11.608 8.962 ( 0.000 -0.763 6.898) 6.940 9.143 ( 0.000 0.062 1.644) 1.645 9.607 ( 0.000 0.864 -8.669) 8.712 9.710 ( 0.000 -1.348 -10.076) 10.166 9.941 ( 0.000 1.668 -13.010) 13.117 9.956 ( 0.000 -0.111 3.457) 3.459 10.761 ( 0.000 0.804 2.389) 2.520 10.805 ( 0.000 -7.554 7.409) 10.581 10.854 ( 0.000 -6.777 0.586) 6.803 10.912 ( 0.000 -5.582 1.627) 5.815 11.337 ( 0.000 0.806 3.812) 3.896 11.391 ( 0.000 -0.104 -6.029) 6.030 11.482 ( 0.000 0.923 1.931) 2.140 11.554 ( 0.000 0.739 5.163) 5.216 11.785 ( 0.000 0.367 6.090) 6.101 11.952 ( 0.000 -0.814 -0.471) 0.941 12.083 ( 0.000 4.966 2.645) 5.627 12.433 ( 0.000 -8.378 4.476) 9.498 14.269 ( 0.000 12.008 1.622) 12.117 14.590 ( 0.000 5.168 -6.562) 8.353 14.931 ( 0.000 -1.356 2.468) 2.816 15.128 ( 0.000 1.626 -15.640) 15.725 21.742 ( 0.000 3.937 0.628) 3.987 22.060 ( 0.000 -4.429 -0.110) 4.430 22.382 ( 0.000 -0.015 1.482) 1.482 22.487 ( 0.000 -1.272 1.856) 2.250 23.190 ( 0.000 1.808 9.366) 9.539 23.354 ( 0.000 -2.798 1.360) 3.111 23.885 ( 0.000 -3.611 7.488) 8.313 23.984 ( 0.000 -2.942 -0.835) 3.058 24.957 ( 0.000 3.017 5.933) 6.656 25.249 ( 0.000 -5.865 0.725) 5.909 25.317 ( 0.000 -1.715 5.854) 6.100 25.596 ( 0.000 -10.545 6.561) 12.419 26.051 ( 0.000 7.640 -1.363) 7.760 26.341 ( 0.000 2.326 -4.257) 4.851 26.558 ( 0.000 6.980 -0.550) 7.002 26.947 ( 0.000 -2.750 -5.510) 6.158 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.17 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 2.282 16.854 3.096) 17.288 1.250 ( 9.117 20.289 6.983) 23.313 1.369 ( -4.794 18.562 0.056) 19.171 1.461 ( 0.968 24.603 2.642) 24.764 1.888 ( -3.485 6.594 15.887) 17.550 2.170 ( 20.867 22.834 11.167) 32.887 2.551 ( -16.828 3.052 4.858) 17.779 2.956 ( 2.250 -11.993 4.333) 12.949 2.976 ( 10.193 -10.269 4.026) 15.018 3.113 ( -6.595 -14.436 0.858) 15.894 3.170 ( -2.209 -12.696 2.347) 13.099 3.306 ( 0.194 -7.382 7.790) 10.734 3.355 ( -1.957 -13.316 8.602) 15.973 3.657 ( 11.729 -9.329 0.848) 15.010 3.722 ( 6.583 -3.515 2.472) 7.861 3.910 ( 14.074 -2.628 1.184) 14.367 4.324 ( 2.933 4.196 1.884) 5.456 4.562 ( -1.497 9.939 -10.133) 14.273 4.810 ( 1.029 -1.785 0.581) 2.140 4.988 ( 0.143 -0.446 2.085) 2.137 5.232 ( 4.789 4.373 -3.882) 7.558 5.402 ( -5.980 0.740 5.693) 8.290 5.612 ( 1.440 -6.492 -3.017) 7.302 5.729 ( -5.210 9.181 -2.165) 10.776 5.888 ( -10.273 1.411 -3.170) 10.843 6.002 ( -6.581 8.838 -3.672) 11.615 6.088 ( -2.499 2.140 -6.173) 6.995 6.278 ( 2.108 4.294 -1.246) 4.943 6.453 ( 2.907 -2.522 -5.084) 6.376 6.635 ( -0.571 -0.076 -2.130) 2.206 7.048 ( 0.648 -13.157 -3.921) 13.744 7.348 ( 3.452 -10.658 -0.398) 11.210 8.457 ( 4.376 13.545 -5.015) 15.092 8.756 ( -0.513 -1.420 -9.309) 9.431 8.988 ( 2.610 -1.786 5.322) 6.191 9.131 ( -1.218 -0.559 0.124) 1.346 9.579 ( -2.268 1.455 -7.024) 7.523 9.727 ( 1.153 -0.960 -9.865) 9.979 9.858 ( -7.861 2.517 -7.365) 11.063 9.931 ( -2.555 -0.552 2.628) 3.706 10.664 ( -5.926 -0.625 2.053) 6.302 10.757 ( -2.391 -0.784 2.010) 3.220 10.905 ( 2.097 -9.907 1.894) 10.302 10.990 ( 4.771 -5.705 2.490) 7.843 11.348 ( 1.314 0.830 0.687) 1.699 11.412 ( 2.077 -0.500 -3.433) 4.044 11.498 ( 1.147 0.647 3.240) 3.498 11.571 ( 1.687 0.666 4.757) 5.091 11.744 ( -3.535 1.785 4.594) 6.065 11.967 ( 0.660 1.293 0.009) 1.451 12.084 ( 0.628 0.671 4.059) 4.162 12.405 ( -2.915 -8.353 4.221) 9.803 14.292 ( 2.627 12.357 0.587) 12.647 14.625 ( 3.465 4.179 -5.432) 7.679 14.906 ( -3.470 -0.448 0.430) 3.525 14.994 ( -11.636 5.334 -9.770) 16.103 21.795 ( 5.465 4.633 0.133) 7.166 22.225 ( 10.325 -4.306 -4.567) 12.083 22.338 ( 0.126 -1.851 -1.096) 2.155 22.559 ( 5.530 -4.852 1.493) 7.507 23.242 ( 6.208 1.000 9.065) 11.033 23.378 ( 2.669 -2.559 1.529) 4.001 23.849 ( -3.689 -3.647 6.921) 8.649 23.966 ( -2.109 -3.857 0.065) 4.397 24.978 ( 2.343 2.810 5.907) 6.948 25.245 ( -0.895 -3.482 1.208) 3.793 25.321 ( 0.895 -4.184 5.699) 7.127 25.572 ( -2.509 -10.343 6.426) 12.433 26.073 ( 2.333 7.529 -1.319) 7.992 26.349 ( 0.671 3.516 -4.980) 6.133 26.528 ( -2.806 5.921 0.473) 6.570 26.869 ( -7.587 -0.638 -4.445) 8.816 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 8.284 14.886 2.047) 17.158 1.304 ( -2.103 20.335 1.476) 20.497 1.436 ( 10.827 17.188 9.087) 22.253 1.519 ( 5.852 19.750 6.250) 21.526 1.798 ( -5.725 7.263 13.877) 16.676 2.185 ( -20.565 3.663 5.012) 21.481 2.600 ( 20.960 4.214 3.199) 21.617 2.920 ( -2.766 -17.016 1.203) 17.281 2.965 ( -3.829 -18.493 0.936) 18.909 3.160 ( 2.896 -11.810 7.788) 14.440 3.201 ( -0.966 -13.424 3.503) 13.907 3.229 ( -2.988 -15.201 7.454) 17.192 3.456 ( 12.657 -2.545 3.844) 13.470 3.803 ( 1.007 0.553 -0.574) 1.284 3.884 ( 11.185 -7.584 -0.779) 13.536 4.091 ( 2.615 -3.413 -1.298) 4.491 4.448 ( 4.890 17.990 -4.721) 19.232 4.543 ( 7.890 14.030 -1.134) 16.137 4.844 ( -11.117 6.171 2.877) 13.036 4.960 ( 11.618 1.642 1.986) 11.901 5.267 ( -4.945 9.597 1.855) 10.955 5.446 ( 5.960 2.493 -2.010) 6.766 5.534 ( -13.829 0.886 0.787) 13.879 5.546 ( 1.130 8.433 -3.736) 9.292 5.648 ( -16.234 13.130 2.511) 21.030 6.003 ( 3.289 -13.406 -4.063) 14.390 6.017 ( -2.788 -3.680 -3.914) 6.053 6.345 ( 0.623 -4.839 -4.148) 6.404 6.473 ( 1.695 -5.468 -2.115) 6.102 6.611 ( -1.879 0.690 -3.952) 4.430 7.098 ( 5.429 -13.930 -6.526) 16.313 7.359 ( -3.195 -14.646 -4.514) 15.655 8.561 ( 6.408 11.226 -3.837) 13.483 8.733 ( -2.157 2.427 -5.175) 6.110 9.044 ( 2.963 -4.238 0.908) 5.250 9.105 ( -1.319 -2.797 -3.344) 4.554 9.547 ( -0.712 3.666 -2.914) 4.737 9.679 ( -7.401 4.084 -3.121) 9.011 9.774 ( 1.168 -1.074 -4.545) 4.814 9.874 ( -3.363 -1.380 0.599) 3.685 10.606 ( -0.514 0.725 -0.893) 1.260 10.699 ( -3.798 1.106 -0.053) 3.956 10.951 ( 2.876 -9.105 1.179) 9.621 11.032 ( -0.080 -6.852 2.166) 7.186 11.389 ( 3.018 0.932 -0.784) 3.255 11.458 ( 2.586 -0.657 -0.118) 2.671 11.503 ( -0.763 0.242 3.181) 3.280 11.580 ( -2.122 -0.618 1.993) 2.976 11.722 ( 2.956 5.106 4.893) 7.665 11.932 ( -4.605 5.914 3.002) 8.074 12.135 ( 4.703 -7.069 3.829) 9.314 12.333 ( -4.824 -8.457 3.756) 10.436 14.370 ( 5.931 12.723 -1.300) 14.098 14.704 ( 4.791 2.250 -3.109) 6.138 14.719 ( -12.779 10.392 -6.029) 17.540 14.873 ( -3.933 -0.164 0.850) 4.028 21.924 ( 7.976 5.839 -0.860) 9.922 22.195 ( -5.930 5.018 -0.939) 7.825 22.501 ( 8.883 -8.250 -7.100) 14.049 22.637 ( 1.832 -8.547 -2.016) 8.970 23.417 ( 10.873 -1.860 3.684) 11.630 23.450 ( 5.070 -1.541 2.008) 5.667 23.768 ( -4.092 -5.178 7.021) 9.636 23.898 ( -5.435 -6.072 1.717) 8.328 25.040 ( 4.259 2.206 5.517) 7.311 25.204 ( -3.433 -0.070 2.922) 4.508 25.359 ( 3.166 -7.820 5.105) 9.860 25.509 ( -4.096 -9.994 6.044) 12.377 26.136 ( 4.480 7.712 -1.440) 9.035 26.333 ( -3.614 7.822 -4.983) 9.954 26.499 ( 1.223 2.030 1.110) 2.617 26.712 ( -8.537 1.627 -2.884) 9.157 ======================= Grid point 66 (28/96) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -3.030 20.043 0.519) 20.277 1.265 ( 3.030 20.043 0.519) 20.277 1.599 ( -4.693 13.337 11.981) 18.532 1.599 ( 4.693 13.337 11.981) 18.532 1.824 ( -15.541 6.367 6.993) 18.193 1.824 ( 15.541 6.367 6.993) 18.193 2.842 ( -5.677 -19.300 -1.244) 20.156 2.842 ( 5.677 -19.300 -1.244) 20.156 3.043 ( -10.148 -9.414 4.070) 14.429 3.043 ( 10.148 -9.414 4.070) 14.429 3.213 ( -1.644 -14.610 8.055) 16.764 3.213 ( 1.644 -14.610 8.055) 16.764 3.712 ( -11.432 1.989 -2.144) 11.800 3.712 ( 11.432 1.989 -2.144) 11.800 4.043 ( -6.113 -5.094 -0.695) 7.988 4.043 ( 6.113 -5.094 -0.695) 7.988 4.534 ( -8.718 19.767 -0.535) 21.610 4.534 ( 8.718 19.767 -0.535) 21.610 4.948 ( -17.205 10.282 0.324) 20.046 4.948 ( 17.205 10.282 0.324) 20.046 5.322 ( -15.062 1.877 4.496) 15.830 5.322 ( 15.062 1.877 4.496) 15.830 5.408 ( -0.623 11.889 -1.552) 12.006 5.408 ( 0.623 11.889 -1.552) 12.006 5.793 ( -15.012 -1.218 -2.795) 15.319 5.793 ( 15.012 -1.218 -2.795) 15.319 6.212 ( -11.549 -13.895 -3.188) 18.347 6.212 ( 11.549 -13.895 -3.188) 18.347 6.556 ( -4.393 -1.793 -3.319) 5.790 6.556 ( 4.393 -1.793 -3.319) 5.790 7.239 ( -8.647 -15.223 -7.104) 18.894 7.239 ( 8.647 -15.223 -7.104) 18.894 8.669 ( -4.884 7.271 -2.922) 9.233 8.669 ( 4.884 7.271 -2.922) 9.233 9.084 ( -1.349 -5.163 -3.783) 6.541 9.084 ( 1.349 -5.163 -3.783) 6.541 9.571 ( -3.670 5.101 0.339) 6.293 9.571 ( 3.670 5.101 0.339) 6.293 9.815 ( -2.852 -1.628 -2.597) 4.187 9.815 ( 2.852 -1.628 -2.597) 4.187 10.632 ( -2.975 1.446 -1.391) 3.588 10.632 ( 2.975 1.446 -1.391) 3.588 11.004 ( -2.535 -7.955 1.323) 8.453 11.004 ( 2.535 -7.955 1.323) 8.453 11.450 ( -3.205 0.984 1.651) 3.737 11.450 ( 3.205 0.984 1.651) 3.737 11.524 ( -3.059 -0.904 0.213) 3.197 11.524 ( 3.059 -0.904 0.213) 3.197 11.822 ( -6.606 5.976 5.001) 10.216 11.822 ( 6.606 5.976 5.001) 10.216 12.234 ( -5.674 -8.550 3.537) 10.854 12.234 ( 5.674 -8.550 3.537) 10.854 14.512 ( -9.496 12.442 -3.228) 15.981 14.512 ( 9.496 12.442 -3.228) 15.981 14.794 ( -4.686 0.534 -0.874) 4.797 14.794 ( 4.686 0.534 -0.874) 4.797 22.070 ( -7.564 6.111 -1.316) 9.813 22.070 ( 7.564 6.111 -1.316) 9.813 22.616 ( -3.857 -7.871 -4.397) 9.806 22.616 ( 3.857 -7.871 -4.397) 9.806 23.524 ( -1.898 -0.198 0.292) 1.931 23.524 ( 1.898 -0.198 0.292) 1.931 23.778 ( -6.150 -8.579 5.491) 11.899 23.778 ( 6.150 -8.579 5.491) 11.899 25.126 ( -4.770 1.332 4.432) 6.646 25.126 ( 4.770 1.332 4.432) 6.646 25.430 ( -4.304 -9.360 5.447) 11.654 25.430 ( 4.304 -9.360 5.447) 11.654 26.234 ( -5.973 8.424 -2.342) 10.589 26.234 ( 5.973 8.424 -2.342) 10.589 26.574 ( -6.215 1.638 -1.374) 6.572 26.574 ( 6.215 1.638 -1.374) 6.572 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 11.935 -4.478) 12.747 1.478 ( 0.000 7.870 -5.194) 9.429 1.760 ( 0.000 13.399 6.351) 14.828 1.875 ( 0.000 9.920 4.003) 10.697 2.122 ( 0.000 13.732 10.839) 17.495 2.445 ( 0.000 4.744 8.327) 9.583 2.635 ( 0.000 -2.423 7.514) 7.895 2.652 ( 0.000 -7.702 4.957) 9.159 2.768 ( 0.000 -2.700 9.066) 9.459 2.861 ( 0.000 -13.573 8.943) 16.254 3.099 ( 0.000 -5.508 4.802) 7.307 3.155 ( 0.000 4.155 9.988) 10.818 3.172 ( 0.000 -9.195 0.470) 9.207 3.389 ( 0.000 -13.432 9.928) 16.703 3.620 ( 0.000 4.540 0.070) 4.541 3.656 ( 0.000 1.015 -1.097) 1.495 4.390 ( 0.000 8.285 1.086) 8.355 4.597 ( 0.000 -6.401 0.046) 6.401 4.828 ( 0.000 -1.190 -9.019) 9.097 4.847 ( 0.000 -0.962 -3.682) 3.806 5.160 ( 0.000 -0.267 3.522) 3.532 5.290 ( 0.000 -11.114 0.035) 11.114 5.614 ( 0.000 10.853 0.509) 10.865 5.824 ( 0.000 -8.118 -1.873) 8.332 6.090 ( 0.000 13.244 -8.401) 15.684 6.237 ( 0.000 2.852 -8.014) 8.507 6.296 ( 0.000 2.571 -9.005) 9.365 6.345 ( 0.000 -5.666 -3.656) 6.743 6.611 ( 0.000 1.629 1.957) 2.546 6.626 ( 0.000 14.833 -5.521) 15.827 6.809 ( 0.000 -4.210 1.795) 4.577 7.072 ( 0.000 -14.529 -0.168) 14.530 8.639 ( 0.000 5.983 -9.015) 10.819 8.707 ( 0.000 -2.053 -9.913) 10.123 8.997 ( 0.000 4.531 6.605) 8.010 9.105 ( 0.000 -3.978 3.655) 5.402 9.632 ( 0.000 1.634 -7.921) 8.088 9.673 ( 0.000 -1.993 -7.903) 8.150 9.956 ( 0.000 0.171 -8.626) 8.628 9.957 ( 0.000 0.063 -2.538) 2.538 10.690 ( 0.000 -2.555 7.756) 8.166 10.710 ( 0.000 -4.520 5.185) 6.878 10.792 ( 0.000 1.839 1.525) 2.389 10.840 ( 0.000 -2.626 1.209) 2.891 11.357 ( 0.000 1.070 -1.156) 1.575 11.380 ( 0.000 -0.903 -4.457) 4.547 11.515 ( 0.000 1.886 4.245) 4.645 11.551 ( 0.000 -1.137 4.795) 4.928 11.817 ( 0.000 2.709 4.782) 5.496 11.890 ( 0.000 -3.735 2.577) 4.538 12.201 ( 0.000 5.073 1.780) 5.376 12.301 ( 0.000 -4.848 2.505) 5.457 14.498 ( 0.000 9.087 -3.584) 9.768 14.632 ( 0.000 -2.576 -8.307) 8.698 14.954 ( 0.000 4.263 2.005) 4.711 15.072 ( 0.000 -5.408 -5.334) 7.596 21.840 ( 0.000 5.179 0.097) 5.180 21.954 ( 0.000 -5.373 -0.121) 5.374 22.407 ( 0.000 1.973 0.802) 2.130 22.452 ( 0.000 -2.014 1.144) 2.316 23.235 ( 0.000 2.409 6.716) 7.135 23.292 ( 0.000 -2.882 3.642) 4.644 23.864 ( 0.000 1.140 3.318) 3.509 23.915 ( 0.000 -3.224 0.723) 3.304 25.035 ( 0.000 4.289 5.315) 6.829 25.134 ( 0.000 -4.966 3.434) 6.038 25.320 ( 0.000 2.026 4.397) 4.841 25.410 ( 0.000 -6.580 5.514) 8.585 26.211 ( 0.000 6.946 -1.838) 7.185 26.327 ( 0.000 -3.444 -2.629) 4.333 26.714 ( 0.000 7.328 -2.916) 7.887 26.855 ( 0.000 -5.718 -4.091) 7.031 ======================= Grid point 71 (30/96) ======================= q-point: ( 0.17 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.407 14.425 -2.532) 14.652 1.548 ( 5.015 2.610 -4.067) 6.964 1.739 ( -1.074 16.804 8.292) 18.769 1.879 ( 0.588 10.403 3.126) 10.879 2.073 ( -4.247 11.715 10.472) 16.277 2.406 ( -4.183 -10.113 3.537) 11.501 2.603 ( -5.595 2.026 9.170) 10.932 2.690 ( 2.857 -0.674 6.291) 6.942 2.820 ( 2.123 -1.728 5.653) 6.281 2.880 ( -7.057 -16.197 3.549) 18.020 2.917 ( -3.195 -1.096 8.903) 9.522 3.080 ( -11.501 -11.417 3.712) 16.625 3.224 ( 10.953 3.719 8.719) 14.485 3.428 ( 12.524 -11.968 5.308) 18.118 3.768 ( 9.538 5.144 -0.046) 10.837 3.865 ( 12.751 -3.180 -0.573) 13.154 4.486 ( 10.940 10.345 1.848) 15.170 4.674 ( 8.585 -4.226 0.700) 9.594 4.816 ( 0.964 6.510 -7.410) 9.911 4.970 ( 9.650 -4.353 -4.662) 11.567 5.162 ( 0.976 -0.555 3.330) 3.515 5.330 ( 3.953 -13.192 1.012) 13.808 5.574 ( -3.785 10.538 0.053) 11.197 5.770 ( -5.639 -7.342 -1.832) 9.437 6.049 ( -6.358 13.743 -5.747) 16.197 6.142 ( -10.719 4.928 -8.562) 14.577 6.194 ( -7.792 1.261 -6.209) 10.043 6.294 ( -5.743 -8.122 -4.036) 10.735 6.520 ( -3.435 10.079 0.117) 10.649 6.709 ( 3.012 2.927 -4.835) 6.404 6.794 ( -1.157 -3.141 -0.012) 3.348 7.074 ( -0.441 -15.194 -1.347) 15.260 8.672 ( 3.430 5.862 -8.301) 10.726 8.732 ( 2.564 -1.109 -8.830) 9.261 8.993 ( -0.558 3.026 5.156) 6.005 9.084 ( -2.310 -3.940 2.245) 5.089 9.624 ( -0.405 2.772 -6.644) 7.211 9.685 ( 1.047 -2.705 -7.348) 7.900 9.897 ( -5.689 1.349 -5.694) 8.161 9.919 ( -3.789 -0.703 -1.993) 4.339 10.652 ( -1.928 0.846 4.706) 5.156 10.727 ( 1.502 -6.264 4.210) 7.696 10.792 ( -0.307 3.238 1.547) 3.602 10.879 ( 2.263 -4.779 1.864) 5.606 11.369 ( 1.383 1.160 -1.852) 2.586 11.394 ( 1.570 -1.121 -3.652) 4.130 11.526 ( 0.748 1.750 4.555) 4.937 11.562 ( 0.833 -1.363 4.540) 4.813 11.809 ( -0.282 4.124 4.385) 6.026 11.905 ( 1.827 -4.592 2.821) 5.690 12.170 ( -3.301 4.842 2.375) 6.324 12.271 ( -3.199 -4.995 2.575) 6.466 14.523 ( 2.613 8.908 -3.566) 9.945 14.653 ( 2.211 -2.679 -7.263) 8.051 14.925 ( -2.983 3.226 1.349) 4.596 15.006 ( -6.502 -2.939 -4.326) 8.345 21.915 ( 7.459 6.570 -0.832) 9.975 22.070 ( 10.980 -7.898 -2.424) 13.741 22.383 ( -2.219 3.778 0.172) 4.385 22.468 ( 1.097 -4.097 0.643) 4.289 23.275 ( 4.490 1.965 6.998) 8.544 23.323 ( 3.451 -2.521 3.976) 5.837 23.827 ( -3.988 1.185 3.413) 5.381 23.883 ( -3.576 -3.687 1.295) 5.297 25.053 ( 1.927 4.142 5.257) 6.965 25.149 ( 1.601 -4.777 3.397) 6.077 25.305 ( -1.668 1.815 4.502) 5.132 25.391 ( -2.070 -6.366 5.397) 8.599 26.233 ( 2.402 6.993 -1.780) 7.605 26.348 ( 2.374 -3.297 -2.681) 4.868 26.671 ( -4.506 6.993 -2.571) 8.707 26.803 ( -5.323 -5.063 -3.759) 8.252 ======================= Grid point 72 (31/96) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 8.094 13.769 0.991) 16.002 1.633 ( 4.004 3.579 -1.383) 5.546 1.746 ( 1.184 13.071 8.606) 15.694 1.884 ( -1.253 7.744 4.369) 8.979 1.989 ( -3.263 14.289 7.844) 16.624 2.301 ( -10.540 3.636 1.963) 11.321 2.432 ( -6.999 -14.135 5.072) 16.568 2.569 ( -10.886 -10.864 0.132) 15.380 2.801 ( 4.038 0.693 7.266) 8.342 2.908 ( 2.049 -10.639 8.171) 13.571 2.920 ( -3.104 -9.402 8.888) 13.305 2.948 ( -0.414 -9.954 8.669) 13.206 3.519 ( 18.130 7.413 1.549) 19.648 3.704 ( 14.774 -9.065 0.088) 17.333 3.873 ( 1.178 5.083 -1.671) 5.479 3.991 ( 0.878 -5.540 -1.683) 5.856 4.774 ( 17.926 8.324 2.716) 19.950 4.859 ( 4.384 18.314 -5.872) 19.725 4.882 ( 10.234 -2.544 1.561) 10.660 5.114 ( 6.692 13.136 2.586) 14.967 5.234 ( 3.318 -13.962 -3.263) 14.718 5.424 ( 7.476 -10.411 3.295) 13.234 5.510 ( -2.546 6.603 -0.646) 7.106 5.672 ( -2.110 -6.826 -2.776) 7.665 5.835 ( -12.843 10.509 -3.183) 16.897 5.910 ( -15.800 8.991 -3.038) 18.431 5.998 ( -11.626 -2.651 -3.047) 12.308 6.148 ( -10.793 -12.126 -2.987) 16.506 6.527 ( 4.245 9.515 -3.323) 10.937 6.723 ( -2.398 9.292 -4.891) 10.771 6.798 ( 3.362 -12.690 -4.526) 13.886 7.029 ( -4.778 -15.897 -3.933) 17.059 8.754 ( 4.911 5.957 -5.720) 9.609 8.790 ( 3.270 2.127 -5.907) 7.079 8.972 ( -1.605 -1.313 1.091) 2.343 9.024 ( -3.973 -4.485 -1.065) 6.085 9.631 ( 1.361 4.166 -3.783) 5.789 9.708 ( 1.349 -2.464 -5.258) 5.962 9.781 ( -5.848 2.714 -1.928) 6.729 9.837 ( -4.591 -2.180 -1.193) 5.221 10.649 ( 1.680 3.854 1.665) 4.522 10.765 ( -2.584 4.550 0.712) 5.281 10.772 ( 3.222 -7.198 1.998) 8.135 10.888 ( -1.358 -6.491 1.472) 6.793 11.411 ( 3.074 1.183 -1.113) 3.476 11.437 ( 3.039 -1.222 -1.693) 3.687 11.523 ( -1.457 1.416 3.864) 4.366 11.555 ( -1.969 -1.511 2.894) 3.813 11.841 ( 4.256 5.924 4.338) 8.487 11.963 ( 4.397 -4.925 2.928) 7.223 12.084 ( -5.728 3.989 3.694) 7.897 12.189 ( -5.505 -5.558 2.889) 8.340 14.593 ( 5.042 8.066 -3.410) 10.105 14.708 ( 3.708 -2.595 -4.794) 6.593 14.842 ( -6.697 2.876 -2.275) 7.636 14.876 ( -5.979 -0.235 -1.003) 6.067 22.078 ( 9.239 8.591 -2.367) 12.836 22.278 ( 9.053 -8.096 -4.709) 13.025 22.331 ( -2.672 4.237 -1.538) 5.240 22.475 ( -0.833 -7.215 -1.247) 7.369 23.403 ( 8.948 0.282 6.128) 10.849 23.420 ( 7.184 -1.191 4.774) 8.708 23.723 ( -7.069 0.601 3.999) 8.144 23.781 ( -7.478 -4.539 2.837) 9.196 25.104 ( 3.512 3.744 5.032) 7.188 25.189 ( 2.344 -3.248 3.251) 5.159 25.262 ( -2.648 0.349 5.020) 5.686 25.338 ( -3.549 -5.977 5.035) 8.584 26.301 ( 4.999 7.218 -1.745) 8.952 26.414 ( 4.575 -2.220 -3.049) 5.929 26.561 ( -6.747 5.710 -1.614) 8.985 26.678 ( -7.646 -4.197 -3.071) 9.247 ======================= Grid point 73 (32/96) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -6.490 14.183 2.484) 15.794 1.635 ( 6.490 14.183 2.484) 15.794 1.790 ( -5.607 1.196 5.834) 8.179 1.790 ( 5.607 1.196 5.834) 8.180 2.064 ( -10.652 15.796 4.739) 19.633 2.064 ( 10.652 15.796 4.739) 19.633 2.428 ( -4.260 -18.522 0.857) 19.025 2.428 ( 4.260 -18.522 0.857) 19.025 2.868 ( -2.877 -4.410 7.931) 9.520 2.868 ( 2.877 -4.410 7.931) 9.520 2.938 ( -0.997 -10.013 8.980) 13.487 2.938 ( 0.997 -10.013 8.980) 13.487 3.794 ( -10.111 5.317 -2.439) 11.682 3.794 ( 10.111 5.317 -2.439) 11.682 3.920 ( -8.112 -6.177 -1.826) 10.358 3.920 ( 8.112 -6.177 -1.826) 10.358 4.931 ( -3.176 15.009 -0.299) 15.344 4.931 ( 3.176 15.009 -0.299) 15.344 5.080 ( -13.421 0.878 0.017) 13.450 5.080 ( 13.421 0.878 0.017) 13.450 5.383 ( -14.288 6.696 2.613) 15.994 5.383 ( 14.288 6.696 2.613) 15.994 5.631 ( -10.220 -9.891 -2.204) 14.392 5.631 ( 10.220 -9.891 -2.204) 14.392 5.690 ( -4.143 9.036 -1.608) 10.070 5.690 ( 4.143 9.036 -1.608) 10.070 5.932 ( -9.100 -11.335 -1.791) 14.646 5.932 ( 9.100 -11.335 -1.791) 14.646 6.635 ( -6.247 9.306 -4.848) 12.212 6.635 ( 6.247 9.306 -4.848) 12.212 6.909 ( -7.430 -15.171 -5.770) 17.851 6.909 ( 7.430 -15.171 -5.770) 17.851 8.821 ( -1.173 6.934 -2.860) 7.592 8.821 ( 1.173 6.934 -2.860) 7.592 8.962 ( -1.641 -6.253 -3.316) 7.265 8.962 ( 1.641 -6.253 -3.316) 7.265 9.677 ( -3.618 4.741 -1.603) 6.176 9.677 ( 3.618 4.741 -1.603) 6.176 9.764 ( -3.073 -3.299 -2.381) 5.099 9.764 ( 3.073 -3.299 -2.381) 5.099 10.703 ( -3.658 5.130 0.265) 6.307 10.703 ( 3.658 5.130 0.265) 6.307 10.839 ( -3.576 -7.360 1.097) 8.256 10.839 ( 3.576 -7.360 1.097) 8.256 11.473 ( -3.250 1.268 1.554) 3.819 11.473 ( 3.250 1.268 1.554) 3.819 11.501 ( -3.339 -1.259 0.589) 3.616 11.501 ( 3.339 -1.259 0.589) 3.616 11.949 ( -6.617 5.974 3.886) 9.725 11.949 ( 6.617 5.974 3.886) 9.725 12.079 ( -5.936 -6.434 3.519) 9.435 12.079 ( 5.936 -6.434 3.519) 9.435 14.706 ( -7.049 6.069 -3.227) 9.845 14.706 ( 7.049 6.069 -3.227) 9.845 14.785 ( -4.472 -1.746 -2.034) 5.214 14.785 ( 4.472 -1.746 -2.034) 5.214 22.228 ( -6.713 8.604 -2.521) 11.200 22.228 ( 6.713 8.604 -2.521) 11.200 22.425 ( -4.896 -9.602 -3.881) 11.456 22.425 ( 4.896 -9.602 -3.881) 11.456 23.546 ( -3.508 2.355 3.398) 5.422 23.546 ( 3.508 2.355 3.398) 5.422 23.628 ( -5.461 -5.443 5.765) 9.627 23.628 ( 5.461 -5.443 5.765) 9.627 25.175 ( -3.705 3.283 4.363) 6.599 25.175 ( 3.705 3.283 4.363) 6.599 25.270 ( -3.391 -5.847 4.753) 8.262 25.270 ( 3.391 -5.847 4.753) 8.262 26.411 ( -6.400 7.689 -2.319) 10.270 26.411 ( 6.400 7.689 -2.319) 10.270 26.542 ( -6.459 -4.242 -2.105) 8.009 26.542 ( 6.459 -4.242 -2.105) 8.009 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.000 0.000 2.983) 2.983 0.566 ( 0.000 0.000 3.005) 3.005 0.962 ( 0.000 0.000 24.155) 24.155 1.181 ( 0.000 0.000 26.749) 26.749 1.693 ( 0.000 0.000 41.371) 41.371 2.310 ( 0.000 0.000 29.013) 29.013 2.805 ( 0.000 0.000 7.430) 7.430 2.862 ( 0.000 0.000 -2.192) 2.192 3.063 ( 0.000 0.000 10.393) 10.393 3.349 ( 0.000 0.000 -1.379) 1.379 3.388 ( 0.000 0.000 -2.151) 2.151 3.752 ( 0.000 0.000 7.944) 7.944 3.771 ( 0.000 0.000 2.602) 2.602 3.933 ( 0.000 0.000 -0.471) 0.471 4.131 ( 0.000 0.000 -8.783) 8.783 4.176 ( 0.000 0.000 2.748) 2.748 4.323 ( 0.000 0.000 -5.132) 5.132 4.488 ( 0.000 0.000 8.965) 8.965 4.711 ( 0.000 0.000 0.395) 0.395 4.845 ( 0.000 0.000 0.367) 0.367 5.138 ( 0.000 0.000 -6.146) 6.146 5.293 ( 0.000 0.000 -6.919) 6.919 5.372 ( 0.000 0.000 0.411) 0.411 5.710 ( 0.000 0.000 -13.400) 13.400 5.934 ( 0.000 0.000 -0.950) 0.950 5.940 ( 0.000 0.000 -3.225) 3.225 6.030 ( 0.000 0.000 -8.277) 8.277 6.158 ( 0.000 0.000 1.439) 1.439 6.172 ( 0.000 0.000 -6.492) 6.492 6.539 ( 0.000 0.000 -5.527) 5.527 7.398 ( 0.000 0.000 -10.169) 10.169 7.481 ( 0.000 0.000 1.245) 1.245 7.891 ( 0.000 0.000 -0.854) 0.854 8.475 ( 0.000 0.000 -19.521) 19.521 9.157 ( 0.000 0.000 2.402) 2.402 9.266 ( 0.000 0.000 13.503) 13.503 9.304 ( 0.000 0.000 -10.321) 10.321 9.434 ( 0.000 0.000 -5.840) 5.840 9.741 ( 0.000 0.000 -5.130) 5.130 10.099 ( 0.000 0.000 4.619) 4.619 10.817 ( 0.000 0.000 3.009) 3.009 10.949 ( 0.000 0.000 0.050) 0.050 11.084 ( 0.000 0.000 -3.295) 3.295 11.199 ( 0.000 0.000 -1.363) 1.363 11.259 ( 0.000 0.000 -4.978) 4.978 11.462 ( 0.000 0.000 8.841) 8.841 11.547 ( 0.000 0.000 -6.572) 6.572 11.689 ( 0.000 0.000 5.857) 5.857 11.716 ( 0.000 0.000 7.041) 7.041 11.893 ( 0.000 0.000 4.273) 4.273 12.125 ( 0.000 0.000 2.705) 2.705 13.161 ( 0.000 0.000 -6.731) 6.731 13.909 ( 0.000 0.000 6.207) 6.207 14.265 ( 0.000 0.000 5.628) 5.628 14.400 ( 0.000 0.000 -1.596) 1.596 14.965 ( 0.000 0.000 -1.606) 1.606 21.710 ( 0.000 0.000 3.394) 3.394 22.166 ( 0.000 0.000 0.304) 0.304 22.403 ( 0.000 0.000 -5.081) 5.081 22.552 ( 0.000 0.000 0.499) 0.499 23.382 ( 0.000 0.000 10.792) 10.792 23.433 ( 0.000 0.000 1.416) 1.416 24.010 ( 0.000 0.000 -2.136) 2.136 24.184 ( 0.000 0.000 -4.912) 4.912 25.061 ( 0.000 0.000 8.772) 8.772 25.417 ( 0.000 0.000 -0.030) 0.030 25.713 ( 0.000 0.000 -1.418) 1.418 25.906 ( 0.000 0.000 1.666) 1.666 25.920 ( 0.000 0.000 -2.601) 2.601 26.245 ( 0.000 0.000 -2.941) 2.941 26.358 ( 0.000 0.000 6.876) 6.876 26.782 ( 0.000 0.000 -0.393) 0.393 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 1.283 0.000 2.672) 2.964 0.554 ( -1.102 0.000 3.078) 3.270 1.053 ( 11.586 0.000 19.085) 22.326 1.301 ( 12.311 0.000 23.820) 26.814 1.956 ( 23.414 0.000 33.127) 40.566 2.251 ( -5.140 0.000 28.653) 29.110 2.612 ( -13.706 0.000 6.027) 14.973 3.058 ( 14.020 0.000 0.053) 14.020 3.195 ( 12.009 0.000 5.798) 13.336 3.429 ( 8.399 0.000 -2.708) 8.824 3.433 ( 4.447 0.000 -1.870) 4.824 3.754 ( -1.881 0.000 1.987) 2.736 3.792 ( 3.740 0.000 5.677) 6.798 3.915 ( -1.947 0.000 -0.400) 1.988 3.982 ( -14.622 0.000 -8.393) 16.860 4.174 ( -0.127 0.000 2.680) 2.683 4.311 ( -1.285 0.000 -4.280) 4.469 4.359 ( -11.446 0.000 6.936) 13.383 4.673 ( -1.046 0.000 2.220) 2.454 5.052 ( 14.629 0.000 2.801) 14.895 5.055 ( -6.909 0.000 -6.890) 9.757 5.169 ( -15.328 0.000 0.763) 15.347 5.227 ( -7.260 0.000 -5.823) 9.307 5.502 ( -13.065 0.000 1.569) 13.159 5.820 ( -8.876 0.000 -1.649) 9.028 6.077 ( 5.694 0.000 -8.518) 10.246 6.080 ( 2.785 0.000 -6.330) 6.915 6.261 ( 6.973 0.000 -6.691) 9.665 6.325 ( 12.670 0.000 -4.782) 13.543 6.609 ( 7.651 0.000 -4.928) 9.101 7.315 ( -3.697 0.000 -6.249) 7.261 7.572 ( 4.209 0.000 -6.065) 7.383 7.936 ( 5.021 0.000 -2.926) 5.812 8.464 ( -1.383 0.000 -19.003) 19.054 9.140 ( -1.558 0.000 2.058) 2.581 9.273 ( -3.327 0.000 -9.054) 9.646 9.296 ( 3.296 0.000 9.662) 10.209 9.498 ( 6.544 0.000 -2.323) 6.944 9.706 ( -3.503 0.000 -5.456) 6.484 10.085 ( -1.898 0.000 5.172) 5.509 10.688 ( -10.411 0.000 2.326) 10.668 10.823 ( -7.774 0.000 -1.586) 7.934 11.183 ( 5.346 0.000 0.337) 5.357 11.254 ( 3.857 0.000 -1.209) 4.042 11.254 ( -0.178 0.000 -4.575) 4.579 11.485 ( -0.954 0.000 4.356) 4.459 11.521 ( 0.812 0.000 -2.142) 2.291 11.680 ( 0.119 0.000 6.679) 6.680 11.748 ( 1.492 0.000 6.012) 6.194 11.880 ( -1.747 0.000 4.728) 5.041 12.202 ( 7.979 0.000 0.494) 7.995 13.052 ( -10.475 0.000 -3.460) 11.031 13.920 ( 1.280 0.000 5.485) 5.632 14.204 ( -4.617 0.000 3.855) 6.015 14.486 ( 7.162 0.000 0.061) 7.162 14.941 ( -2.550 0.000 -1.418) 2.918 21.733 ( 2.736 0.000 2.588) 3.766 22.214 ( -3.128 0.000 0.257) 3.138 22.353 ( 5.177 0.000 -6.272) 8.133 22.677 ( 7.741 0.000 -4.684) 9.048 23.416 ( 3.786 0.000 9.206) 9.954 23.455 ( 2.340 0.000 1.719) 2.904 24.003 ( -0.715 0.000 -2.149) 2.265 24.159 ( -2.593 0.000 -4.147) 4.891 25.084 ( 2.452 0.000 8.640) 8.981 25.400 ( -1.933 0.000 1.384) 2.377 25.719 ( 0.667 0.000 -1.324) 1.482 25.854 ( -2.897 0.000 -0.177) 2.903 25.980 ( 3.822 0.000 -0.988) 3.948 26.230 ( -1.622 0.000 -2.805) 3.240 26.353 ( -0.399 0.000 6.785) 6.797 26.675 ( -9.689 0.000 3.555) 10.321 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 1.747 0.000 2.384) 2.955 0.531 ( -1.380 0.000 2.767) 3.092 1.363 ( 19.966 0.000 15.046) 25.000 1.596 ( 18.752 0.000 18.397) 26.270 2.017 ( -12.807 0.000 23.007) 26.331 2.317 ( -18.147 0.000 9.234) 20.361 2.540 ( 30.751 0.000 19.214) 36.260 3.344 ( 15.827 0.000 -1.133) 15.867 3.429 ( 11.871 0.000 2.453) 12.122 3.538 ( 6.882 0.000 -0.884) 6.938 3.584 ( -10.908 0.000 -8.707) 13.957 3.632 ( -2.612 0.000 -1.697) 3.115 3.698 ( -4.302 0.000 0.298) 4.312 3.853 ( -5.294 0.000 -0.330) 5.304 3.893 ( 3.857 0.000 4.750) 6.119 4.172 ( -8.365 0.000 4.004) 9.273 4.177 ( 0.757 0.000 2.351) 2.470 4.271 ( -3.124 0.000 -1.757) 3.584 4.598 ( -5.578 0.000 2.768) 6.227 4.863 ( -15.750 0.000 4.988) 16.521 4.948 ( -3.636 0.000 -7.311) 8.165 5.065 ( -8.880 0.000 -5.476) 10.433 5.334 ( 11.305 0.000 6.133) 12.861 5.420 ( 6.490 0.000 3.958) 7.602 5.642 ( -8.987 0.000 4.011) 9.842 5.977 ( -11.756 0.000 -6.393) 13.381 6.212 ( 7.822 0.000 -8.341) 11.434 6.354 ( 2.186 0.000 -7.007) 7.341 6.540 ( 10.137 0.000 -7.957) 12.887 6.736 ( 3.106 0.000 -3.494) 4.675 7.319 ( 4.719 0.000 -7.928) 9.226 7.579 ( -3.526 0.000 -8.097) 8.831 8.077 ( 9.972 0.000 -8.103) 12.849 8.410 ( -5.006 0.000 -17.363) 18.070 9.114 ( -0.878 0.000 0.933) 1.281 9.193 ( -4.779 0.000 -5.745) 7.473 9.381 ( 5.634 0.000 3.322) 6.540 9.593 ( -2.904 0.000 -0.260) 2.916 9.682 ( 7.146 0.000 -1.982) 7.416 10.010 ( -6.563 0.000 6.193) 9.024 10.558 ( -2.747 0.000 -0.290) 2.762 10.684 ( -7.109 0.000 -2.181) 7.436 11.262 ( 3.253 0.000 1.192) 3.465 11.266 ( 1.692 0.000 -4.249) 4.574 11.300 ( 1.190 0.000 0.293) 1.226 11.405 ( -5.189 0.000 -3.683) 6.363 11.606 ( 5.991 0.000 6.093) 8.545 11.694 ( 1.291 0.000 6.619) 6.744 11.751 ( -1.026 0.000 6.318) 6.401 11.822 ( -4.511 0.000 5.712) 7.278 12.388 ( 11.351 0.000 -1.311) 11.426 12.831 ( -12.577 0.000 -0.612) 12.591 13.961 ( 3.154 0.000 4.145) 5.208 14.118 ( -4.752 0.000 3.223) 5.741 14.628 ( 7.832 0.000 0.284) 7.837 14.872 ( -4.898 0.000 -0.904) 4.981 21.812 ( 5.672 0.000 1.047) 5.768 22.081 ( -8.274 0.000 -0.202) 8.276 22.528 ( 9.896 0.000 -7.083) 12.169 22.750 ( -0.300 0.000 -7.029) 7.036 23.500 ( 3.954 0.000 3.051) 4.994 23.516 ( 3.945 0.000 3.721) 5.423 23.993 ( 0.246 0.000 -2.125) 2.139 24.097 ( -3.853 0.000 -2.854) 4.795 25.150 ( 4.634 0.000 8.237) 9.451 25.342 ( -4.403 0.000 4.585) 6.356 25.737 ( 1.296 0.000 -1.073) 1.683 25.806 ( -2.394 0.000 -0.429) 2.432 26.053 ( 4.006 0.000 -1.364) 4.232 26.187 ( -2.938 0.000 -2.429) 3.812 26.353 ( 0.682 0.000 6.612) 6.647 26.500 ( -8.157 0.000 6.708) 10.561 ======================= Grid point 101 (36/96) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -1.649 0.000 2.435) 2.941 0.503 ( 1.649 0.000 2.435) 2.941 1.725 ( -18.360 0.000 18.365) 25.969 1.725 ( 18.360 0.000 18.365) 25.969 1.960 ( -20.201 0.000 13.398) 24.240 1.960 ( 20.201 0.000 13.398) 24.240 3.102 ( -29.160 0.000 0.711) 29.169 3.102 ( 29.160 0.000 0.711) 29.169 3.574 ( -8.082 0.000 -1.432) 8.208 3.574 ( 8.082 0.000 -1.432) 8.208 3.640 ( -7.323 0.000 6.053) 9.501 3.640 ( 7.323 0.000 6.053) 9.501 3.710 ( -9.484 0.000 -0.202) 9.486 3.710 ( 9.484 0.000 -0.202) 9.486 4.007 ( -9.585 0.000 -3.435) 10.182 4.007 ( 9.585 0.000 -3.435) 10.182 4.210 ( -2.892 0.000 1.092) 3.091 4.210 ( 2.892 0.000 1.092) 3.091 4.620 ( -9.134 0.000 7.361) 11.731 4.620 ( 9.134 0.000 7.361) 11.731 4.945 ( -3.456 0.000 -6.535) 7.392 4.945 ( 3.456 0.000 -6.535) 7.392 5.463 ( -6.541 0.000 9.075) 11.187 5.463 ( 6.541 0.000 9.075) 11.187 5.712 ( -15.600 0.000 -4.067) 16.121 5.712 ( 15.600 0.000 -4.067) 16.121 6.331 ( -4.430 0.000 -7.628) 8.821 6.331 ( 4.430 0.000 -7.628) 8.821 6.695 ( -6.403 0.000 -5.796) 8.636 6.695 ( 6.403 0.000 -5.796) 8.636 7.459 ( -8.613 0.000 -8.095) 11.820 7.459 ( 8.613 0.000 -8.095) 11.820 8.271 ( -9.926 0.000 -13.712) 16.927 8.271 ( 9.926 0.000 -13.712) 16.927 9.123 ( -2.220 0.000 -1.770) 2.839 9.123 ( 2.220 0.000 -1.770) 2.839 9.493 ( -6.225 0.000 -1.095) 6.320 9.493 ( 6.225 0.000 -1.095) 6.320 9.855 ( -9.654 0.000 4.752) 10.760 9.855 ( 9.654 0.000 4.752) 10.760 10.577 ( -4.069 0.000 -2.060) 4.560 10.577 ( 4.069 0.000 -2.060) 4.560 11.301 ( -1.037 0.000 1.017) 1.452 11.301 ( 1.037 0.000 1.017) 1.452 11.319 ( -3.948 0.000 -4.048) 5.654 11.319 ( 3.948 0.000 -4.048) 5.654 11.721 ( -6.206 0.000 6.335) 8.869 11.721 ( 6.206 0.000 6.335) 8.869 11.723 ( -1.705 0.000 6.517) 6.737 11.723 ( 1.705 0.000 6.517) 6.737 12.604 ( -12.076 0.000 -0.784) 12.101 12.604 ( 12.076 0.000 -0.784) 12.101 14.032 ( -4.442 0.000 3.312) 5.541 14.032 ( 4.442 0.000 3.312) 5.541 14.764 ( -6.798 0.000 -0.231) 6.802 14.764 ( 6.798 0.000 -0.231) 6.802 21.934 ( -7.480 0.000 0.006) 7.480 21.934 ( 7.480 0.000 0.006) 7.480 22.682 ( -6.509 0.000 -6.822) 9.429 22.682 ( 6.509 0.000 -6.822) 9.429 23.549 ( -0.935 0.000 2.349) 2.528 23.549 ( 0.935 0.000 2.349) 2.528 24.027 ( -3.321 0.000 -2.224) 3.997 24.027 ( 3.321 0.000 -2.224) 3.997 25.247 ( -5.583 0.000 7.144) 9.067 25.247 ( 5.583 0.000 7.144) 9.067 25.766 ( -1.867 0.000 -0.744) 2.010 25.766 ( 1.867 0.000 -0.744) 2.010 26.125 ( -3.745 0.000 -1.905) 4.202 26.125 ( 3.745 0.000 -1.905) 4.202 26.391 ( -3.775 0.000 6.697) 7.687 26.391 ( 3.775 0.000 6.697) 7.687 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 14.694 3.177) 15.033 0.846 ( 0.000 26.906 -3.316) 27.109 1.171 ( 0.000 17.228 17.346) 24.448 1.205 ( 0.000 2.782 24.781) 24.937 1.920 ( 0.000 19.051 34.406) 39.328 2.317 ( 0.000 0.575 27.051) 27.057 2.827 ( 0.000 2.306 7.879) 8.209 2.956 ( 0.000 7.655 -1.672) 7.836 3.052 ( 0.000 -0.422 9.653) 9.663 3.289 ( 0.000 -9.241 0.616) 9.261 3.370 ( 0.000 1.488 -1.051) 1.822 3.606 ( 0.000 -9.199 4.096) 10.069 3.702 ( 0.000 -5.357 2.558) 5.937 3.863 ( 0.000 -16.090 1.967) 16.210 4.062 ( 0.000 -14.881 3.600) 15.310 4.101 ( 0.000 -6.757 4.672) 8.215 4.184 ( 0.000 7.079 -9.405) 11.771 4.433 ( 0.000 -4.357 7.048) 8.286 4.842 ( 0.000 -0.069 0.115) 0.134 4.871 ( 0.000 9.886 -4.950) 11.056 5.161 ( 0.000 -9.351 -1.346) 9.447 5.248 ( 0.000 9.078 -9.301) 12.997 5.565 ( 0.000 14.746 -2.184) 14.907 5.775 ( 0.000 0.875 -7.233) 7.286 5.829 ( 0.000 -7.435 -2.393) 7.810 5.830 ( 0.000 -3.789 -7.474) 8.380 6.015 ( 0.000 -1.644 -4.919) 5.186 6.104 ( 0.000 -1.195 -0.654) 1.362 6.281 ( 0.000 4.736 -4.185) 6.320 6.567 ( 0.000 1.765 -5.298) 5.585 7.231 ( 0.000 -12.459 -8.047) 14.832 7.440 ( 0.000 -3.999 0.040) 3.999 8.056 ( 0.000 12.550 -1.621) 12.654 8.476 ( 0.000 0.066 -18.082) 18.082 9.130 ( 0.000 -6.331 0.928) 6.399 9.166 ( 0.000 0.764 1.982) 2.124 9.436 ( 0.000 0.338 -5.734) 5.744 9.445 ( 0.000 6.198 -1.808) 6.456 9.754 ( 0.000 1.232 -4.788) 4.944 10.072 ( 0.000 -2.408 3.634) 4.360 10.812 ( 0.000 -0.341 2.851) 2.872 10.930 ( 0.000 -1.706 0.155) 1.713 11.017 ( 0.000 -5.503 -1.135) 5.619 11.096 ( 0.000 -7.821 -0.268) 7.826 11.268 ( 0.000 0.655 -4.835) 4.879 11.448 ( 0.000 -3.666 0.875) 3.769 11.515 ( 0.000 2.223 5.391) 5.832 11.701 ( 0.000 -0.771 7.877) 7.915 11.834 ( 0.000 8.797 1.688) 8.958 11.893 ( 0.000 -0.025 4.147) 4.147 12.119 ( 0.000 -0.353 3.074) 3.094 12.823 ( 0.000 -18.663 2.429) 18.820 14.168 ( 0.000 9.378 7.161) 11.799 14.420 ( 0.000 1.717 -2.896) 3.366 14.481 ( 0.000 19.224 -11.252) 22.275 14.958 ( 0.000 -0.558 -1.408) 1.515 21.724 ( 0.000 1.374 3.127) 3.416 22.138 ( 0.000 -2.588 0.251) 2.600 22.383 ( 0.000 -1.379 -3.635) 3.888 22.540 ( 0.000 -1.065 0.148) 1.075 23.386 ( 0.000 0.327 10.398) 10.404 23.423 ( 0.000 -0.868 1.949) 2.133 23.997 ( 0.000 -1.148 -1.849) 2.176 24.119 ( 0.000 -5.356 -1.052) 5.459 25.079 ( 0.000 1.694 9.301) 9.454 25.371 ( 0.000 -3.569 1.205) 3.767 25.615 ( 0.000 -8.783 5.922) 10.593 25.900 ( 0.000 2.968 0.018) 2.968 25.915 ( 0.000 -3.628 2.807) 4.587 26.166 ( 0.000 -0.975 -4.284) 4.394 26.455 ( 0.000 5.078 2.490) 5.655 26.825 ( 0.000 2.115 -3.988) 4.514 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 2.175 16.721 1.759) 16.953 0.832 ( -1.329 25.146 -2.104) 25.269 1.201 ( 6.850 13.054 16.877) 22.409 1.329 ( 11.498 3.892 22.290) 25.381 2.122 ( 16.248 12.790 26.302) 33.457 2.275 ( -1.611 2.946 27.633) 27.836 2.626 ( -15.009 1.758 7.130) 16.709 3.081 ( 6.328 1.047 -0.777) 6.461 3.179 ( 11.842 -1.963 5.513) 13.209 3.337 ( 5.722 -7.667 1.994) 9.772 3.487 ( 11.668 4.197 -1.048) 12.444 3.585 ( -3.511 -12.492 3.628) 13.473 3.651 ( -3.624 -10.149 -0.211) 10.779 3.841 ( -3.612 -9.288 1.162) 10.033 4.046 ( -2.473 -11.911 5.471) 13.338 4.120 ( 2.016 -7.553 2.421) 8.184 4.135 ( -4.114 9.237 -7.755) 12.742 4.365 ( -5.887 -1.201 4.530) 7.525 4.769 ( -0.638 5.372 -1.606) 5.643 5.022 ( -1.565 -0.306 -0.221) 1.610 5.101 ( 5.941 -0.778 -1.066) 6.086 5.224 ( -2.393 9.839 -6.143) 11.843 5.381 ( -15.451 10.248 -3.364) 18.843 5.650 ( -9.615 12.770 2.906) 16.247 5.786 ( -6.771 -3.414 -2.533) 7.994 5.975 ( 9.579 -9.562 -8.237) 15.844 6.003 ( 2.044 -5.205 -6.436) 8.526 6.223 ( 7.205 -2.254 -4.159) 8.619 6.344 ( 5.751 0.613 -6.103) 8.408 6.594 ( 3.248 -1.018 -3.974) 5.233 7.188 ( -2.478 -10.279 -7.047) 12.707 7.491 ( 2.843 -6.626 -4.317) 8.404 8.092 ( 4.194 12.083 -3.702) 13.316 8.477 ( -0.195 1.084 -17.132) 17.167 9.123 ( -1.188 -5.284 -2.537) 5.981 9.151 ( -1.376 -1.281 2.029) 2.766 9.415 ( -0.004 3.880 -1.901) 4.321 9.522 ( 6.102 2.555 -1.082) 6.704 9.718 ( -3.560 1.179 -4.710) 6.020 10.055 ( -2.144 -2.669 4.270) 5.473 10.693 ( -9.634 0.468 2.117) 9.875 10.805 ( -6.895 -1.419 -0.794) 7.084 11.114 ( 2.929 -6.563 0.471) 7.202 11.149 ( 4.881 -6.421 0.062) 8.066 11.269 ( 0.732 0.975 -4.052) 4.232 11.473 ( 1.891 -3.280 -1.523) 4.082 11.537 ( 1.719 2.986 6.011) 6.928 11.708 ( 0.653 -0.374 7.732) 7.768 11.755 ( -5.040 2.776 2.878) 6.434 11.931 ( 1.062 4.196 4.374) 6.154 12.182 ( 6.471 -1.536 2.023) 6.952 12.775 ( -4.940 -16.596 2.664) 17.520 14.135 ( -2.118 9.581 5.085) 11.052 14.407 ( -5.765 17.614 -7.919) 20.154 14.502 ( 6.308 1.559 -1.379) 6.642 14.937 ( -2.372 -0.393 -1.337) 2.751 21.751 ( 3.094 1.755 2.276) 4.223 22.214 ( 0.700 -0.385 -0.266) 0.842 22.321 ( 2.096 -2.505 -5.322) 6.244 22.635 ( 6.118 -3.500 -3.417) 7.833 23.421 ( 3.711 0.362 8.772) 9.532 23.448 ( 2.720 -0.552 2.628) 3.823 23.981 ( -1.571 -1.924 -1.547) 2.926 24.099 ( -2.035 -4.839 -0.781) 5.308 25.100 ( 2.190 1.502 9.017) 9.400 25.358 ( -1.478 -3.133 2.279) 4.146 25.632 ( 1.856 -8.537 5.474) 10.310 25.854 ( -2.781 -0.575 1.920) 3.428 25.960 ( 2.810 -0.561 0.849) 2.989 26.149 ( -1.695 -0.588 -4.091) 4.467 26.452 ( -0.255 4.957 2.516) 5.565 26.741 ( -7.928 3.625 -1.607) 8.865 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.612 20.232 0.867) 20.260 0.810 ( -0.966 22.571 -0.106) 22.592 1.440 ( 17.465 7.337 13.863) 23.474 1.597 ( 16.689 1.886 19.261) 25.555 2.066 ( -11.638 3.646 21.079) 24.352 2.307 ( -18.000 -0.473 9.124) 20.186 2.628 ( 26.225 7.013 16.311) 31.670 3.171 ( 4.703 -10.085 -1.564) 11.237 3.401 ( -2.426 -14.214 2.777) 14.685 3.424 ( 8.632 -5.795 0.851) 10.432 3.507 ( -6.298 -8.030 -3.650) 10.838 3.553 ( 0.431 -7.156 2.529) 7.601 3.690 ( 1.153 -3.279 6.208) 7.115 3.808 ( 7.185 6.722 -6.282) 11.674 3.947 ( -5.474 -6.039 4.985) 9.554 4.107 ( 1.311 3.868 -1.694) 4.421 4.148 ( 0.481 -4.560 1.026) 4.699 4.305 ( -2.067 6.155 0.731) 6.534 4.712 ( -5.180 7.412 -0.011) 9.043 4.927 ( -5.442 5.271 3.185) 8.218 5.083 ( -7.300 10.105 -4.501) 13.253 5.173 ( -4.882 9.155 -4.352) 11.251 5.372 ( 10.267 3.251 1.121) 10.828 5.491 ( -2.124 6.968 6.381) 9.684 5.628 ( -8.471 -1.026 3.805) 9.343 5.949 ( -9.237 -2.386 -6.239) 11.399 6.141 ( 8.822 -7.548 -8.881) 14.618 6.318 ( 2.163 -3.112 -6.604) 7.614 6.477 ( 8.086 -4.920 -7.596) 12.137 6.655 ( 1.396 -6.536 -2.600) 7.171 7.197 ( 4.443 -9.913 -8.072) 13.534 7.480 ( -4.524 -8.681 -7.516) 12.342 8.210 ( 8.176 10.494 -8.269) 15.664 8.454 ( -2.804 3.726 -15.243) 15.941 9.090 ( -1.689 -3.325 -3.308) 4.985 9.117 ( -2.421 -4.143 -1.920) 5.169 9.444 ( 3.175 3.893 0.547) 5.053 9.610 ( -2.538 1.759 1.216) 3.319 9.686 ( 6.110 0.371 -2.025) 6.447 9.981 ( -6.044 -2.501 5.304) 8.421 10.570 ( -2.839 1.216 0.106) 3.090 10.680 ( -6.504 -0.122 -1.366) 6.648 11.157 ( 1.984 -7.701 0.724) 7.985 11.195 ( 0.525 -5.682 -0.131) 5.708 11.311 ( 3.482 1.581 -2.453) 4.543 11.467 ( -3.330 2.405 -4.093) 5.799 11.574 ( 2.730 -1.797 6.552) 7.322 11.679 ( -2.763 -3.316 4.752) 6.419 11.748 ( 3.502 3.870 6.997) 8.729 11.912 ( -3.032 5.325 5.643) 8.330 12.332 ( 9.088 -4.532 1.328) 10.242 12.655 ( -7.769 -12.244 2.677) 14.746 14.125 ( 1.304 10.354 2.362) 10.700 14.286 ( -6.567 14.470 -3.310) 16.231 14.636 ( 7.557 0.637 -0.510) 7.600 14.871 ( -4.684 -0.117 -1.043) 4.800 21.836 ( 5.926 2.301 0.705) 6.396 22.103 ( -7.847 2.141 -0.499) 8.149 22.483 ( 9.803 -4.175 -7.184) 12.850 22.695 ( -0.230 -4.836 -6.179) 7.850 23.497 ( 3.914 -0.153 3.169) 5.038 23.522 ( 4.307 0.591 4.810) 6.484 23.954 ( -0.638 -3.476 -0.734) 3.609 24.047 ( -3.551 -4.197 -0.431) 5.514 25.157 ( 3.956 0.808 8.226) 9.163 25.313 ( -3.430 -1.976 4.680) 6.129 25.681 ( 3.250 -7.329 4.551) 9.219 25.802 ( -2.955 -2.412 2.826) 4.748 26.011 ( 2.669 -0.184 -0.317) 2.694 26.108 ( -2.593 0.119 -3.290) 4.191 26.452 ( 0.615 4.863 2.400) 5.457 26.589 ( -7.510 5.186 1.051) 9.187 ======================= Grid point 108 (40/96) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.550 21.485 0.553) 21.499 0.796 ( 0.550 21.485 0.553) 21.499 1.759 ( -13.499 3.661 17.124) 22.111 1.759 ( 13.499 3.661 17.124) 22.111 1.970 ( -15.575 1.230 13.626) 20.731 1.970 ( 15.575 1.230 13.626) 20.731 3.096 ( -22.213 -2.307 1.062) 22.358 3.096 ( 22.213 -2.307 1.062) 22.358 3.304 ( -4.799 -15.417 0.691) 16.161 3.304 ( 4.799 -15.417 0.691) 16.161 3.619 ( -5.971 -6.476 0.596) 8.829 3.619 ( 5.971 -6.476 0.596) 8.829 3.720 ( -11.592 -2.344 6.805) 13.644 3.720 ( 11.592 -2.344 6.805) 13.644 4.091 ( -8.531 4.021 -6.015) 11.185 4.091 ( 8.531 4.021 -6.015) 11.185 4.178 ( -6.937 3.544 1.658) 7.964 4.178 ( 6.937 3.544 1.658) 7.964 4.766 ( -10.197 10.950 5.401) 15.907 4.766 ( 10.197 10.950 5.401) 15.907 5.064 ( -3.930 10.139 -5.772) 12.311 5.064 ( 3.930 10.139 -5.772) 12.311 5.466 ( -6.023 0.182 8.553) 10.462 5.466 ( 6.023 0.182 8.553) 10.462 5.715 ( -14.692 0.364 -4.061) 15.248 5.715 ( 14.692 0.364 -4.061) 15.248 6.282 ( -5.613 -4.861 -7.805) 10.773 6.282 ( 5.613 -4.861 -7.805) 10.773 6.610 ( -5.662 -7.154 -5.224) 10.513 6.610 ( 5.662 -7.154 -5.224) 10.513 7.341 ( -9.463 -10.004 -8.115) 15.984 7.341 ( 9.463 -10.004 -8.115) 15.984 8.361 ( -7.246 7.363 -12.558) 16.261 8.361 ( 7.246 7.363 -12.558) 16.261 9.080 ( -0.888 -3.716 -3.056) 4.892 9.080 ( 0.888 -3.716 -3.056) 4.892 9.523 ( -5.076 2.561 -0.324) 5.694 9.523 ( 5.076 2.561 -0.324) 5.694 9.841 ( -8.720 -1.252 4.194) 9.757 9.841 ( 8.720 -1.252 4.194) 9.757 10.582 ( -3.577 0.740 -1.273) 3.868 10.582 ( 3.577 0.740 -1.273) 3.868 11.187 ( -1.211 -6.838 0.329) 6.952 11.187 ( 1.211 -6.838 0.329) 6.952 11.386 ( -4.575 2.767 -2.723) 6.000 11.386 ( 4.575 2.767 -2.723) 6.000 11.628 ( -2.930 -3.669 5.080) 6.918 11.628 ( 2.930 -3.669 5.080) 6.918 11.833 ( -5.054 5.259 6.651) 9.871 11.833 ( 5.054 5.259 6.651) 9.871 12.499 ( -8.931 -8.061 1.975) 12.192 12.499 ( 8.931 -8.061 1.975) 12.192 14.181 ( -4.621 11.713 -0.207) 12.593 14.181 ( 4.621 11.713 -0.207) 12.593 14.767 ( -6.547 0.215 -0.669) 6.585 14.767 ( 6.547 0.215 -0.669) 6.585 21.961 ( -7.452 2.509 -0.342) 7.871 21.961 ( 7.452 2.509 -0.342) 7.871 22.632 ( -6.125 -4.507 -6.839) 10.227 22.632 ( 6.125 -4.507 -6.839) 10.227 23.552 ( -1.308 0.453 2.967) 3.274 23.552 ( 1.308 0.453 2.967) 3.274 23.979 ( -3.216 -4.185 -0.287) 5.286 23.979 ( 3.216 -4.185 -0.287) 5.286 25.238 ( -4.516 -0.463 6.849) 8.217 25.238 ( 4.516 -0.463 6.849) 8.217 25.744 ( -3.415 -4.970 3.700) 7.074 25.744 ( 3.415 -4.970 3.700) 7.074 26.059 ( -2.657 0.186 -1.826) 3.230 26.059 ( 2.657 0.186 -1.826) 3.230 26.487 ( -3.494 5.172 1.938) 6.535 26.487 ( 3.494 5.172 1.938) 6.535 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 18.192 0.457) 18.198 1.267 ( 0.000 8.120 7.769) 11.238 1.424 ( 0.000 21.611 6.104) 22.456 1.598 ( 0.000 21.248 9.624) 23.326 2.335 ( 0.000 1.360 22.182) 22.224 2.376 ( 0.000 21.136 23.171) 31.363 2.906 ( 0.000 4.117 9.256) 10.130 2.954 ( 0.000 -10.063 2.439) 10.354 3.074 ( 0.000 -4.886 13.835) 14.672 3.176 ( 0.000 7.373 -2.702) 7.852 3.296 ( 0.000 -13.298 0.059) 13.298 3.407 ( 0.000 -16.452 7.537) 18.096 3.496 ( 0.000 -3.379 1.704) 3.784 3.597 ( 0.000 -3.035 3.562) 4.679 3.729 ( 0.000 -13.719 7.076) 15.436 3.901 ( 0.000 -11.566 8.747) 14.501 4.359 ( 0.000 -1.400 3.154) 3.451 4.382 ( 0.000 9.741 -8.363) 12.838 4.831 ( 0.000 -1.313 -1.096) 1.711 4.914 ( 0.000 -8.642 -1.108) 8.713 5.103 ( 0.000 4.838 -5.398) 7.249 5.421 ( 0.000 -0.104 -11.369) 11.370 5.592 ( 0.000 -4.658 1.732) 4.969 5.615 ( 0.000 -0.640 -5.682) 5.718 5.939 ( 0.000 -0.971 -2.432) 2.619 5.993 ( 0.000 6.001 -8.672) 10.545 6.030 ( 0.000 17.795 -3.685) 18.173 6.109 ( 0.000 3.556 -4.804) 5.977 6.323 ( 0.000 -1.073 -6.003) 6.098 6.587 ( 0.000 0.024 -4.350) 4.351 6.964 ( 0.000 -11.448 -5.795) 12.831 7.298 ( 0.000 -9.686 -3.069) 10.160 8.331 ( 0.000 11.741 -2.443) 11.992 8.480 ( 0.000 0.456 -13.993) 14.000 9.023 ( 0.000 -3.156 -3.434) 4.664 9.175 ( 0.000 -0.474 -0.066) 0.479 9.454 ( 0.000 1.492 -4.642) 4.876 9.532 ( 0.000 2.042 -1.928) 2.808 9.792 ( 0.000 2.254 -3.965) 4.561 10.003 ( 0.000 -3.897 1.200) 4.078 10.810 ( 0.000 0.231 2.261) 2.273 10.879 ( 0.000 -3.291 1.299) 3.538 10.892 ( 0.000 -5.411 1.935) 5.747 10.938 ( 0.000 -5.801 1.034) 5.893 11.283 ( 0.000 0.739 -4.252) 4.316 11.377 ( 0.000 -2.801 -0.248) 2.812 11.576 ( 0.000 2.905 6.737) 7.337 11.692 ( 0.000 -0.321 7.808) 7.815 11.897 ( 0.000 0.564 4.521) 4.556 11.971 ( 0.000 2.712 2.649) 3.791 12.139 ( 0.000 3.214 2.621) 4.147 12.519 ( 0.000 -10.292 3.429) 10.849 14.317 ( 0.000 5.981 2.998) 6.690 14.461 ( 0.000 1.722 -5.676) 5.931 14.813 ( 0.000 10.116 -13.968) 17.246 14.946 ( 0.000 -0.445 -1.228) 1.306 21.771 ( 0.000 3.058 2.261) 3.803 22.061 ( 0.000 -4.463 0.200) 4.467 22.368 ( 0.000 0.317 -2.203) 2.225 22.506 ( 0.000 -2.159 -0.702) 2.270 23.394 ( 0.000 0.286 9.428) 9.432 23.403 ( 0.000 -0.815 3.575) 3.667 23.966 ( 0.000 -1.674 -0.808) 1.859 24.001 ( 0.000 -4.827 3.165) 5.772 25.131 ( 0.000 3.082 10.362) 10.810 25.295 ( 0.000 -3.130 3.838) 4.953 25.457 ( 0.000 -4.741 7.277) 8.685 25.745 ( 0.000 -10.034 7.348) 12.437 26.017 ( 0.000 6.948 -1.839) 7.187 26.227 ( 0.000 3.784 -6.601) 7.609 26.546 ( 0.000 3.945 -0.400) 3.966 26.828 ( 0.000 -1.848 -5.472) 5.776 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 2.895 16.009 2.981) 16.540 1.303 ( 0.877 16.066 -0.376) 16.094 1.487 ( 8.111 15.634 11.968) 21.294 1.598 ( 1.551 19.612 10.293) 22.203 2.270 ( -4.657 2.412 19.713) 20.398 2.483 ( 5.236 12.056 16.773) 21.310 2.712 ( -11.333 6.627 12.493) 18.122 3.010 ( -3.069 -10.806 0.564) 11.247 3.067 ( 3.881 -5.459 2.090) 7.016 3.209 ( -1.178 -6.218 8.527) 10.619 3.266 ( -0.277 -14.282 8.354) 16.548 3.376 ( -0.770 -12.683 -1.537) 12.799 3.552 ( 6.753 -2.590 7.657) 10.533 3.680 ( 3.990 -4.764 2.436) 6.674 3.793 ( 4.698 -7.612 4.599) 10.058 3.951 ( 6.539 -6.674 3.029) 9.822 4.342 ( -2.395 6.451 -4.393) 8.164 4.402 ( 3.941 8.402 -1.508) 9.402 4.821 ( 3.118 -0.460 0.308) 3.167 4.983 ( -0.106 -2.992 -1.210) 3.230 5.157 ( 9.764 3.124 -3.287) 10.766 5.446 ( 0.007 7.478 -7.392) 10.514 5.517 ( -6.879 -1.720 -0.534) 7.111 5.694 ( 4.077 -4.064 -3.188) 6.580 5.779 ( -9.288 2.712 -6.058) 11.416 5.898 ( -4.431 -2.714 -4.648) 6.971 6.006 ( -5.992 11.990 -2.414) 13.619 6.215 ( 4.511 3.543 -4.562) 7.329 6.321 ( 1.297 -2.752 -7.159) 7.779 6.570 ( -1.634 -0.953 -4.257) 4.658 6.946 ( -1.356 -11.433 -6.317) 13.132 7.302 ( -0.643 -11.398 -4.720) 12.354 8.356 ( 3.058 11.088 -5.316) 12.670 8.509 ( 2.620 2.036 -11.930) 12.383 9.007 ( -1.629 -3.993 -5.300) 6.833 9.138 ( -3.733 -1.342 -0.698) 4.028 9.468 ( 1.724 2.188 -2.535) 3.767 9.576 ( 4.299 1.468 -0.952) 4.642 9.758 ( -3.461 2.508 -3.206) 5.343 9.982 ( -2.403 -4.010 1.887) 5.042 10.707 ( -7.710 0.810 2.053) 8.019 10.784 ( -4.107 0.047 0.803) 4.185 10.948 ( 1.524 -7.673 2.123) 8.105 11.024 ( 4.816 -5.738 0.767) 7.531 11.291 ( 1.347 1.077 -3.515) 3.915 11.405 ( 2.793 -2.879 -0.379) 4.029 11.590 ( 0.817 2.095 5.624) 6.057 11.692 ( -1.069 -0.909 6.313) 6.467 11.826 ( -3.635 3.674 4.020) 6.548 12.013 ( 2.195 1.953 4.079) 5.027 12.163 ( 2.380 0.786 3.539) 4.336 12.493 ( -2.814 -9.961 3.748) 11.009 14.307 ( -0.030 7.344 0.679) 7.375 14.524 ( 5.771 0.837 -3.812) 6.967 14.737 ( -7.351 10.679 -11.157) 17.104 14.927 ( -2.195 -0.406 -1.593) 2.742 21.809 ( 4.014 3.648 1.354) 5.591 22.157 ( 8.810 -5.135 -2.132) 10.418 22.303 ( -5.182 1.487 -2.304) 5.863 22.548 ( 2.708 -4.443 -2.403) 5.732 23.424 ( 3.108 -0.083 5.844) 6.619 23.442 ( 4.294 0.079 6.843) 8.079 23.929 ( -3.337 -2.610 0.808) 4.313 23.994 ( -1.310 -4.408 2.196) 5.096 25.147 ( 1.646 2.854 9.836) 10.373 25.297 ( -0.040 -2.366 3.906) 4.567 25.463 ( 0.824 -5.732 7.493) 9.470 25.718 ( -2.771 -9.713 7.178) 12.391 26.040 ( 2.426 6.769 -1.683) 7.385 26.229 ( 0.125 4.909 -6.526) 8.167 26.531 ( -1.399 2.986 0.017) 3.297 26.771 ( -5.703 -0.939 -4.535) 7.346 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.432 17.849 1.566) 18.458 1.291 ( -1.308 20.947 -1.011) 21.012 1.675 ( 11.114 13.790 10.808) 20.748 1.720 ( 11.854 9.367 13.903) 20.531 2.145 ( -8.975 3.478 17.499) 19.972 2.323 ( -17.177 2.352 8.332) 19.236 2.736 ( 7.279 -0.161 10.641) 12.894 2.941 ( -3.930 -15.645 0.824) 16.152 3.027 ( -2.239 -11.028 5.269) 12.425 3.248 ( -0.795 -10.197 0.789) 10.258 3.322 ( 2.034 -10.152 0.662) 10.375 3.390 ( 6.954 -8.267 13.221) 17.073 3.587 ( 0.088 -4.262 8.106) 9.159 3.783 ( -2.478 -3.220 -0.679) 4.119 3.862 ( 9.606 -5.292 -1.161) 11.028 4.055 ( 1.510 -4.586 -2.171) 5.294 4.342 ( 4.331 16.994 -4.435) 18.089 4.541 ( 8.063 14.788 -0.819) 16.863 4.851 ( -0.693 5.142 0.116) 5.189 5.025 ( 6.836 3.620 3.158) 8.355 5.299 ( -5.831 9.386 0.087) 11.050 5.401 ( 0.101 6.586 -3.417) 7.420 5.453 ( 8.419 4.263 -4.168) 10.316 5.552 ( -10.390 1.671 0.989) 10.570 5.713 ( -13.799 5.051 4.291) 15.309 5.881 ( 3.511 -11.228 -7.550) 13.978 5.914 ( 0.771 -2.624 -5.866) 6.472 6.233 ( -2.359 -5.399 -6.262) 8.598 6.383 ( 4.791 -2.533 -6.492) 8.457 6.531 ( -2.675 -2.959 -3.700) 5.441 6.952 ( 3.264 -12.485 -7.518) 14.935 7.239 ( -6.528 -13.557 -6.748) 16.490 8.443 ( 5.848 10.099 -9.210) 14.866 8.552 ( 1.383 5.335 -10.017) 11.433 8.974 ( -1.407 -5.577 -7.231) 9.240 9.054 ( -4.885 -3.285 -2.263) 6.307 9.516 ( 3.355 3.124 -0.204) 4.589 9.662 ( 0.255 2.219 3.136) 3.850 9.694 ( 1.386 0.662 -3.075) 3.437 9.913 ( -5.010 -3.699 2.971) 6.900 10.612 ( -2.255 2.779 1.175) 3.766 10.697 ( -4.935 2.210 0.087) 5.408 10.983 ( 2.323 -8.114 1.862) 8.643 11.061 ( -0.437 -6.915 0.666) 6.961 11.344 ( 4.251 1.588 -2.528) 5.194 11.467 ( 3.290 -1.819 -1.056) 3.905 11.566 ( -3.826 0.884 3.455) 5.230 11.630 ( -3.759 -1.455 3.137) 5.108 11.843 ( 4.495 4.975 6.800) 9.550 12.018 ( -2.109 4.405 5.074) 7.043 12.227 ( 4.661 -4.808 4.687) 8.174 12.422 ( -4.720 -9.064 4.392) 11.123 14.338 ( 3.526 9.427 -1.724) 10.212 14.581 ( -8.749 11.278 -7.040) 15.915 14.644 ( 6.783 -0.162 -2.482) 7.225 14.865 ( -4.549 -0.646 -1.694) 4.897 21.910 ( 6.630 4.613 -0.322) 8.083 22.171 ( -6.581 4.181 -1.320) 7.908 22.357 ( 9.322 -7.280 -6.377) 13.437 22.567 ( -1.161 -6.765 -4.787) 8.369 23.500 ( 4.804 0.614 4.366) 6.520 23.542 ( 5.350 1.196 6.281) 8.337 23.865 ( -2.823 -4.285 2.475) 5.697 23.946 ( -3.853 -4.907 2.333) 6.661 25.189 ( 2.784 2.190 8.405) 9.120 25.284 ( -1.512 -0.440 4.756) 5.010 25.496 ( 2.893 -7.984 7.527) 11.348 25.651 ( -4.376 -9.532 7.078) 12.654 26.100 ( 3.893 7.229 -1.879) 8.423 26.222 ( -1.250 7.503 -5.594) 9.442 26.511 ( -0.176 0.745 0.269) 0.811 26.648 ( -6.827 0.158 -2.893) 7.416 ======================= Grid point 115 (44/96) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -2.122 21.089 -0.276) 21.197 1.262 ( 2.122 21.089 -0.276) 21.197 1.892 ( -6.057 8.000 13.297) 16.658 1.892 ( 6.057 8.000 13.297) 16.658 2.025 ( -9.013 4.209 12.887) 16.280 2.025 ( 9.013 4.209 12.887) 16.280 2.842 ( -5.251 -18.078 1.672) 18.900 2.842 ( 5.251 -18.078 1.672) 18.900 3.118 ( -8.510 -5.020 4.033) 10.671 3.118 ( 8.510 -5.020 4.033) 10.671 3.417 ( -3.830 -11.353 8.710) 14.813 3.417 ( 3.830 -11.353 8.710) 14.813 3.671 ( -7.823 -0.252 -0.014) 7.827 3.671 ( 7.823 -0.252 -0.014) 7.827 4.012 ( -5.529 -6.277 -2.513) 8.734 4.012 ( 5.529 -6.277 -2.513) 8.734 4.491 ( -9.971 19.164 -3.177) 21.835 4.491 ( 9.971 19.164 -3.177) 21.835 4.993 ( -11.626 9.091 3.724) 15.221 4.993 ( 11.626 9.091 3.724) 15.221 5.321 ( -7.683 12.857 -4.614) 15.672 5.321 ( 7.683 12.857 -4.614) 15.672 5.467 ( -6.056 0.154 6.924) 9.200 5.467 ( 6.056 0.154 6.924) 9.200 5.719 ( -13.308 -1.105 -4.292) 14.027 5.719 ( 13.308 -1.105 -4.292) 14.027 6.107 ( -10.742 -11.475 -6.707) 17.090 6.107 ( 10.742 -11.475 -6.707) 17.090 6.470 ( -4.028 -3.606 -5.149) 7.466 6.470 ( 4.028 -3.606 -5.149) 7.466 7.080 ( -9.509 -13.906 -7.538) 18.456 7.080 ( 9.509 -13.906 -7.538) 18.456 8.537 ( -3.370 8.515 -10.415) 13.869 8.537 ( 3.370 8.515 -10.415) 13.869 8.981 ( -2.463 -5.449 -5.113) 7.868 8.981 ( 2.463 -5.449 -5.113) 7.868 9.588 ( -4.416 3.405 0.499) 5.599 9.588 ( 4.416 3.405 0.499) 5.599 9.804 ( -6.582 -2.290 2.515) 7.409 9.804 ( 6.582 -2.290 2.515) 7.409 10.621 ( -2.844 3.145 0.271) 4.249 10.621 ( 2.844 3.145 0.271) 4.249 11.029 ( -2.492 -7.774 1.181) 8.249 11.029 ( 2.492 -7.774 1.181) 8.249 11.437 ( -5.510 2.192 -2.291) 6.357 11.437 ( 5.510 2.192 -2.291) 6.357 11.565 ( -3.541 -2.401 3.182) 5.331 11.565 ( 3.541 -2.401 3.182) 5.331 11.943 ( -5.461 5.154 6.367) 9.845 11.943 ( 5.461 5.154 6.367) 9.845 12.325 ( -5.603 -7.707 4.812) 10.675 12.325 ( 5.603 -7.707 4.812) 10.675 14.435 ( -6.846 10.870 -3.990) 13.452 14.435 ( 6.846 10.870 -3.990) 13.452 14.765 ( -6.153 -0.694 -1.936) 6.487 14.765 ( 6.153 -0.694 -1.936) 6.487 22.040 ( -7.337 4.946 -1.377) 8.955 22.040 ( 7.337 4.946 -1.377) 8.955 22.501 ( -5.878 -7.483 -6.295) 11.409 22.501 ( 5.878 -7.483 -6.295) 11.409 23.576 ( -2.276 2.004 4.296) 5.259 23.576 ( 2.276 2.004 4.296) 5.259 23.868 ( -3.466 -5.843 3.177) 7.500 23.868 ( 3.466 -5.843 3.177) 7.500 25.242 ( -2.829 1.137 6.511) 7.190 25.242 ( 2.829 1.137 6.511) 7.190 25.566 ( -4.500 -9.307 7.228) 12.614 25.566 ( 4.500 -9.307 7.228) 12.614 26.174 ( -3.766 8.267 -3.269) 9.655 26.174 ( 3.766 8.267 -3.269) 9.655 26.545 ( -3.988 0.021 -1.217) 4.169 26.545 ( 3.988 0.021 -1.217) 4.169 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 0.000 7.744 -1.083) 7.820 1.414 ( 0.000 5.215 3.660) 6.372 1.851 ( 0.000 16.558 3.767) 16.981 1.973 ( 0.000 9.409 5.211) 10.755 2.410 ( 0.000 6.939 16.203) 17.626 2.652 ( 0.000 -5.960 11.002) 12.512 2.737 ( 0.000 -3.009 2.334) 3.808 2.821 ( 0.000 -4.808 7.080) 8.558 3.035 ( 0.000 -8.589 10.135) 13.285 3.045 ( 0.000 -1.764 16.379) 16.473 3.210 ( 0.000 -1.862 3.254) 3.749 3.210 ( 0.000 -0.314 7.683) 7.690 3.437 ( 0.000 1.393 14.951) 15.016 3.606 ( 0.000 -1.321 4.788) 4.967 3.625 ( 0.000 0.950 -1.624) 1.882 3.643 ( 0.000 -9.008 8.056) 12.085 4.420 ( 0.000 7.789 1.502) 7.933 4.579 ( 0.000 6.375 -3.471) 7.259 4.684 ( 0.000 -9.919 -3.372) 10.477 4.767 ( 0.000 -5.303 -3.774) 6.509 5.144 ( 0.000 1.000 -4.435) 4.546 5.241 ( 0.000 -8.715 -5.279) 10.189 5.636 ( 0.000 6.873 0.506) 6.891 5.754 ( 0.000 0.909 -7.697) 7.751 5.894 ( 0.000 4.201 -5.554) 6.964 6.054 ( 0.000 -5.215 -8.136) 9.663 6.149 ( 0.000 6.108 -6.376) 8.830 6.249 ( 0.000 -4.150 -5.483) 6.877 6.477 ( 0.000 15.099 -9.065) 17.611 6.582 ( 0.000 -0.165 -4.343) 4.346 6.805 ( 0.000 -0.547 -2.920) 2.971 7.027 ( 0.000 -15.175 -5.326) 16.083 8.493 ( 0.000 3.003 -4.563) 5.462 8.499 ( 0.000 1.090 -8.894) 8.960 9.028 ( 0.000 3.659 -5.170) 6.334 9.127 ( 0.000 -4.164 -3.412) 5.383 9.499 ( 0.000 2.472 -2.506) 3.520 9.541 ( 0.000 -1.027 -1.601) 1.902 9.846 ( 0.000 2.867 -2.867) 4.054 9.918 ( 0.000 -3.886 -1.274) 4.089 10.807 ( 0.000 -2.030 3.654) 4.180 10.808 ( 0.000 -2.188 3.880) 4.454 10.826 ( 0.000 1.026 1.580) 1.884 10.861 ( 0.000 -2.269 0.739) 2.387 11.301 ( 0.000 1.008 -3.042) 3.204 11.329 ( 0.000 -1.736 -1.472) 2.276 11.633 ( 0.000 2.413 6.802) 7.217 11.675 ( 0.000 -1.452 7.112) 7.259 11.923 ( 0.000 1.849 5.255) 5.571 11.966 ( 0.000 -1.851 4.916) 5.253 12.239 ( 0.000 5.239 1.737) 5.519 12.354 ( 0.000 -5.980 2.369) 6.432 14.424 ( 0.000 3.904 -3.135) 5.007 14.475 ( 0.000 -0.751 -6.578) 6.621 14.931 ( 0.000 2.046 -8.102) 8.356 14.943 ( 0.000 0.077 -2.989) 2.990 21.852 ( 0.000 4.521 1.175) 4.672 21.957 ( 0.000 -5.122 0.434) 5.140 22.397 ( 0.000 2.197 -1.857) 2.876 22.452 ( 0.000 -2.776 -1.498) 3.155 23.393 ( 0.000 -0.085 5.903) 5.903 23.395 ( 0.000 -0.115 8.000) 8.001 23.934 ( 0.000 -1.063 1.043) 1.489 23.934 ( 0.000 -1.411 3.036) 3.348 25.197 ( 0.000 2.654 10.124) 10.466 25.242 ( 0.000 -2.006 6.949) 7.233 25.429 ( 0.000 2.240 5.705) 6.129 25.545 ( 0.000 -8.094 7.057) 10.738 26.162 ( 0.000 6.118 -2.863) 6.755 26.252 ( 0.000 -1.825 -4.485) 4.842 26.644 ( 0.000 5.334 -3.440) 6.348 26.756 ( 0.000 -4.717 -5.053) 6.913 ======================= Grid point 120 (46/96) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 3.358 10.269 3.047) 11.225 1.506 ( 6.588 2.677 0.622) 7.138 1.858 ( 0.938 15.632 4.113) 16.191 1.962 ( -0.566 10.045 4.727) 11.116 2.340 ( -5.799 5.349 14.272) 16.308 2.524 ( -7.912 -8.251 7.090) 13.451 2.798 ( -6.271 -3.263 7.656) 10.421 2.888 ( -6.123 -1.602 11.115) 12.791 2.929 ( -2.629 -6.286 3.588) 7.701 2.956 ( -0.017 -0.377 7.951) 7.959 3.161 ( -2.511 -5.889 5.543) 8.468 3.175 ( -0.074 -3.655 14.061) 14.529 3.449 ( 4.429 -0.273 11.967) 12.763 3.565 ( 3.974 -7.504 7.255) 11.169 3.764 ( 7.022 3.057 -0.282) 7.663 3.850 ( 10.459 -4.052 -0.653) 11.236 4.529 ( 12.038 11.876 1.250) 16.957 4.627 ( 4.992 10.209 -4.517) 12.229 4.761 ( 8.390 -5.295 2.169) 10.156 4.865 ( 9.940 -9.384 -5.083) 14.584 5.156 ( 1.739 0.937 -3.436) 3.963 5.296 ( 5.767 -11.290 -4.700) 13.521 5.591 ( -4.568 7.440 0.727) 8.761 5.743 ( -2.979 -5.246 -1.955) 6.342 5.844 ( -3.206 10.383 -10.220) 14.917 6.003 ( -12.772 9.582 -5.891) 17.019 6.043 ( -2.603 -5.861 -7.785) 10.086 6.188 ( -6.100 -7.251 -5.530) 10.971 6.480 ( -1.888 11.355 -4.451) 12.342 6.587 ( 1.220 1.882 -6.770) 7.132 6.766 ( -3.947 -1.022 -3.403) 5.311 7.009 ( -2.438 -15.657 -5.636) 16.818 8.513 ( 3.136 3.941 -7.926) 9.391 8.551 ( 4.463 0.627 -6.448) 7.867 8.991 ( -3.824 2.741 -6.296) 7.860 9.079 ( -4.783 -4.147 -4.031) 7.505 9.524 ( 2.559 2.865 -1.354) 4.072 9.574 ( 3.317 -1.510 -0.936) 3.763 9.819 ( -2.823 3.197 -2.090) 4.749 9.895 ( -2.453 -3.966 -0.586) 4.700 10.733 ( -3.888 2.101 3.231) 5.475 10.806 ( -0.288 -3.523 2.952) 4.605 10.824 ( -1.001 1.598 1.646) 2.503 10.909 ( 2.139 -4.945 0.902) 5.462 11.317 ( 2.010 1.420 -2.484) 3.496 11.353 ( 2.590 -2.056 -1.184) 3.513 11.631 ( -0.659 1.803 5.391) 5.723 11.666 ( -1.523 -1.485 5.365) 5.771 11.910 ( 0.026 4.103 5.504) 6.865 11.990 ( 2.412 -3.115 5.477) 6.747 12.227 ( -1.583 4.290 2.860) 5.394 12.331 ( -2.453 -5.794 3.033) 6.985 14.442 ( 2.241 5.128 -3.878) 6.809 14.517 ( 4.124 -1.836 -5.547) 7.152 14.876 ( -5.258 3.422 -6.686) 9.169 14.917 ( -3.102 -0.863 -3.489) 4.748 21.905 ( 5.386 5.349 0.062) 7.591 22.030 ( 7.283 -6.261 -1.275) 9.688 22.363 ( -3.281 3.750 -2.113) 5.413 22.452 ( -0.513 -4.505 -2.334) 5.099 23.428 ( 3.799 0.483 6.364) 7.427 23.440 ( 4.602 -0.442 7.646) 8.935 23.894 ( -3.522 -0.239 2.573) 4.368 23.920 ( -2.257 -2.497 2.371) 4.117 25.209 ( 1.351 2.635 9.595) 10.041 25.255 ( 1.355 -1.844 6.724) 7.103 25.416 ( -1.354 1.641 5.862) 6.237 25.524 ( -2.266 -7.799 6.991) 10.715 26.186 ( 2.640 6.200 -2.637) 7.237 26.274 ( 2.366 -1.343 -4.351) 5.132 26.609 ( -3.628 4.688 -3.012) 6.649 26.712 ( -4.548 -4.302 -4.638) 7.791 ======================= Grid point 121 (47/96) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 9.138 12.495 3.663) 15.907 1.628 ( 6.033 7.102 0.819) 9.354 1.889 ( 2.153 7.876 5.418) 9.798 1.966 ( 0.757 6.583 3.426) 7.460 2.223 ( -6.374 6.659 13.160) 16.067 2.387 ( -8.469 0.579 6.462) 10.668 2.574 ( -14.039 -11.985 7.194) 19.812 2.603 ( -10.159 -8.895 5.088) 14.430 2.990 ( 3.517 3.280 11.098) 12.095 3.059 ( 1.812 -5.503 5.999) 8.340 3.131 ( 1.808 -6.312 9.385) 11.453 3.191 ( 0.097 -9.578 14.325) 17.232 3.573 ( 8.518 3.951 4.271) 10.315 3.709 ( 9.597 -7.591 0.459) 12.245 3.817 ( -1.245 4.591 -3.752) 6.058 3.938 ( -0.409 -6.091 -3.487) 7.030 4.736 ( 9.152 18.018 -5.558) 20.960 4.841 ( 15.832 10.816 3.072) 19.418 4.913 ( 6.026 0.494 0.159) 6.049 5.120 ( 17.410 0.963 0.231) 17.439 5.203 ( 1.029 -7.584 -0.874) 7.703 5.441 ( 8.702 -10.433 -2.448) 13.805 5.509 ( -1.332 4.639 0.084) 4.827 5.647 ( -4.397 -4.768 1.075) 6.574 5.754 ( -11.745 11.084 -4.291) 16.710 5.776 ( -7.753 6.919 -9.142) 13.840 5.927 ( -9.726 -2.776 -4.581) 11.103 6.045 ( -9.356 -11.638 -5.873) 16.045 6.453 ( 0.984 8.417 -3.871) 9.317 6.598 ( -1.420 7.144 -6.835) 9.989 6.698 ( -1.112 -8.454 -5.257) 10.017 6.922 ( -7.000 -15.705 -6.228) 18.288 8.603 ( 6.238 5.132 -9.455) 12.435 8.651 ( 6.022 1.901 -6.127) 8.799 8.900 ( -5.477 0.000 -8.049) 9.736 8.968 ( -6.839 -4.586 -5.066) 9.668 9.586 ( 3.992 3.408 0.061) 5.249 9.650 ( 4.735 -2.359 0.541) 5.318 9.750 ( -4.349 3.627 -0.665) 5.702 9.831 ( -4.327 -3.919 0.664) 5.875 10.693 ( -0.300 4.962 2.419) 5.528 10.779 ( -3.143 5.251 0.681) 6.158 10.821 ( 1.553 -6.911 2.638) 7.558 10.912 ( -1.666 -6.884 0.815) 7.129 11.380 ( 4.750 1.856 -1.611) 5.348 11.422 ( 4.760 -2.121 -0.483) 5.234 11.588 ( -4.439 0.984 2.267) 5.080 11.607 ( -4.269 -0.889 2.302) 4.931 11.955 ( 4.649 5.377 6.591) 9.694 12.054 ( 4.168 -2.738 5.818) 7.662 12.176 ( -3.626 1.944 4.943) 6.431 12.267 ( -4.400 -5.746 4.489) 8.517 14.510 ( 5.054 6.562 -4.320) 9.342 14.612 ( 5.922 -3.024 -4.440) 7.996 14.756 ( -7.309 5.541 -5.440) 10.664 14.836 ( -5.427 -2.296 -3.260) 6.735 22.030 ( 7.659 6.688 -1.958) 10.355 22.187 ( 8.731 -7.663 -3.864) 12.243 22.284 ( -5.206 5.643 -2.925) 8.216 22.420 ( -3.194 -6.849 -3.846) 8.479 23.526 ( 6.578 1.709 6.092) 9.127 23.555 ( 7.424 -0.459 7.030) 10.235 23.808 ( -5.667 -0.345 3.821) 6.844 23.850 ( -5.304 -3.771 3.552) 7.414 25.245 ( 2.433 2.824 8.191) 9.000 25.289 ( 1.990 -0.249 6.242) 6.556 25.385 ( -1.635 -1.167 6.499) 6.802 25.466 ( -3.840 -7.167 6.912) 10.672 26.257 ( 4.960 6.675 -2.317) 8.633 26.336 ( 3.973 0.982 -4.222) 5.880 26.522 ( -5.259 2.151 -1.967) 6.013 26.604 ( -6.674 -3.903 -3.772) 8.603 ======================= Grid point 122 (48/96) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -3.377 17.227 1.091) 17.589 1.673 ( 3.377 17.227 1.091) 17.589 1.941 ( -3.915 -6.032 6.824) 9.914 1.941 ( 3.915 -6.032 6.824) 9.914 2.203 ( -6.999 12.133 8.918) 16.605 2.203 ( 6.999 12.133 8.918) 16.605 2.485 ( -2.219 -14.679 5.436) 15.810 2.485 ( 2.219 -14.679 5.436) 15.810 3.044 ( -2.200 0.482 9.126) 9.400 3.044 ( 2.200 0.482 9.126) 9.400 3.175 ( -1.831 -10.428 12.403) 16.307 3.175 ( 1.831 -10.428 12.403) 16.307 3.730 ( -7.516 5.250 -3.275) 9.736 3.730 ( 7.516 5.250 -3.275) 9.736 3.867 ( -6.715 -7.065 -3.257) 10.277 3.867 ( 6.715 -7.065 -3.257) 10.277 4.896 ( -6.083 16.976 -2.941) 18.271 4.896 ( 6.083 16.976 -2.941) 18.271 5.099 ( -10.113 -0.846 1.429) 10.248 5.099 ( 10.113 -0.846 1.429) 10.248 5.457 ( -14.204 2.319 3.953) 14.925 5.457 ( 14.204 2.319 3.953) 14.925 5.589 ( -5.064 -4.704 -2.342) 7.297 5.589 ( 5.064 -4.704 -2.342) 7.297 5.623 ( -4.174 7.264 -4.102) 9.328 5.623 ( 4.174 7.264 -4.102) 9.328 5.859 ( -8.003 -10.933 -5.142) 14.492 5.859 ( 8.003 -10.933 -5.142) 14.492 6.520 ( -5.262 8.353 -5.855) 11.478 6.520 ( 5.262 8.353 -5.855) 11.478 6.775 ( -7.792 -14.167 -6.627) 17.474 6.775 ( 7.792 -14.167 -6.627) 17.474 8.708 ( -2.991 7.474 -8.368) 11.612 8.708 ( 2.991 7.474 -8.368) 11.612 8.854 ( -3.560 -6.398 -6.735) 9.948 8.854 ( 3.560 -6.398 -6.735) 9.948 9.665 ( -4.536 3.779 0.554) 5.930 9.665 ( 4.536 3.779 0.554) 5.930 9.743 ( -5.019 -3.395 0.963) 6.135 9.743 ( 5.019 -3.395 0.963) 6.135 10.719 ( -2.820 5.987 1.281) 6.740 10.719 ( 2.820 5.987 1.281) 6.740 10.865 ( -2.891 -7.526 1.475) 8.196 10.865 ( 2.891 -7.526 1.475) 8.196 11.481 ( -5.478 1.951 -0.818) 5.872 11.481 ( 5.478 1.951 -0.818) 5.872 11.521 ( -4.681 -1.893 1.160) 5.181 11.521 ( 4.681 -1.893 1.160) 5.181 12.055 ( -5.141 5.451 6.084) 9.652 12.055 ( 5.141 5.451 6.084) 9.652 12.178 ( -4.724 -6.260 5.776) 9.740 12.178 ( 4.724 -6.260 5.776) 9.740 14.622 ( -6.925 6.764 -4.677) 10.751 14.622 ( 6.925 6.764 -4.677) 10.751 14.726 ( -6.284 -3.187 -3.577) 7.902 14.726 ( 6.284 -3.187 -3.577) 7.902 22.168 ( -7.019 7.010 -2.986) 10.360 22.168 ( 7.019 7.010 -2.986) 10.360 22.332 ( -6.417 -8.129 -4.826) 11.426 22.332 ( 6.417 -8.129 -4.826) 11.426 23.641 ( -3.274 4.061 5.328) 7.456 23.641 ( 3.274 4.061 5.328) 7.456 23.745 ( -3.712 -5.565 5.196) 8.470 23.745 ( 3.712 -5.565 5.196) 8.470 25.291 ( -2.060 3.502 6.555) 7.712 25.291 ( 2.060 3.502 6.555) 7.712 25.396 ( -3.137 -6.496 7.037) 10.077 25.396 ( 3.137 -6.496 7.037) 10.077 26.353 ( -4.180 7.915 -3.053) 9.457 26.353 ( 4.180 7.915 -3.053) 9.457 26.491 ( -4.198 -4.799 -2.509) 6.852 26.491 ( 4.198 -4.799 -2.509) 6.852 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 0.000 3.621) 3.621 0.617 ( 0.000 0.000 1.853) 1.853 1.458 ( 0.000 0.000 24.722) 24.722 1.702 ( 0.000 0.000 24.175) 24.175 2.481 ( 0.000 0.000 34.905) 34.905 2.798 ( 0.000 0.000 -4.308) 4.308 2.882 ( 0.000 0.000 25.240) 25.240 2.974 ( 0.000 0.000 9.134) 9.134 3.249 ( 0.000 0.000 7.983) 7.983 3.313 ( 0.000 0.000 -1.965) 1.965 3.355 ( 0.000 0.000 -0.536) 0.536 3.602 ( 0.000 0.000 -19.951) 19.951 3.800 ( 0.000 0.000 -0.170) 0.170 3.904 ( 0.000 0.000 -2.728) 2.728 4.175 ( 0.000 0.000 11.528) 11.528 4.225 ( 0.000 0.000 -3.936) 3.936 4.226 ( 0.000 0.000 1.846) 1.846 4.653 ( 0.000 0.000 6.425) 6.425 4.733 ( 0.000 0.000 1.672) 1.672 4.829 ( 0.000 0.000 -2.750) 2.750 5.017 ( 0.000 0.000 -5.732) 5.732 5.127 ( 0.000 0.000 -9.011) 9.011 5.377 ( 0.000 0.000 -1.107) 1.107 5.468 ( 0.000 0.000 -9.020) 9.020 5.835 ( 0.000 0.000 -9.822) 9.822 5.873 ( 0.000 0.000 -2.819) 2.819 5.912 ( 0.000 0.000 -1.280) 1.280 6.015 ( 0.000 0.000 -8.575) 8.575 6.223 ( 0.000 0.000 4.742) 4.742 6.423 ( 0.000 0.000 -5.387) 5.387 7.197 ( 0.000 0.000 -8.895) 8.895 7.442 ( 0.000 0.000 -5.177) 5.177 7.862 ( 0.000 0.000 -2.196) 2.196 8.108 ( 0.000 0.000 -15.485) 15.485 9.130 ( 0.000 0.000 -5.807) 5.807 9.195 ( 0.000 0.000 1.024) 1.024 9.363 ( 0.000 0.000 -0.989) 0.989 9.529 ( 0.000 0.000 10.105) 10.105 9.659 ( 0.000 0.000 -1.045) 1.045 10.150 ( 0.000 0.000 0.408) 0.408 10.863 ( 0.000 0.000 1.456) 1.456 10.943 ( 0.000 0.000 -0.796) 0.796 11.046 ( 0.000 0.000 -0.536) 0.536 11.168 ( 0.000 0.000 -1.623) 1.623 11.182 ( 0.000 0.000 -2.649) 2.649 11.398 ( 0.000 0.000 -7.324) 7.324 11.640 ( 0.000 0.000 8.036) 8.036 11.825 ( 0.000 0.000 6.844) 6.844 11.840 ( 0.000 0.000 5.218) 5.218 11.951 ( 0.000 0.000 1.377) 1.377 12.203 ( 0.000 0.000 5.250) 5.250 12.999 ( 0.000 0.000 -9.066) 9.066 14.046 ( 0.000 0.000 6.924) 6.924 14.369 ( 0.000 0.000 -1.540) 1.540 14.390 ( 0.000 0.000 6.531) 6.531 14.909 ( 0.000 0.000 -3.972) 3.972 21.799 ( 0.000 0.000 5.412) 5.412 22.172 ( 0.000 0.000 0.176) 0.176 22.322 ( 0.000 0.000 -2.918) 2.918 22.508 ( 0.000 0.000 -4.840) 4.840 23.488 ( 0.000 0.000 3.951) 3.951 23.564 ( 0.000 0.000 6.788) 6.788 23.972 ( 0.000 0.000 -1.379) 1.379 24.091 ( 0.000 0.000 -4.109) 4.109 25.242 ( 0.000 0.000 8.595) 8.595 25.440 ( 0.000 0.000 1.982) 1.982 25.692 ( 0.000 0.000 -0.528) 0.528 25.858 ( 0.000 0.000 -3.391) 3.391 25.944 ( 0.000 0.000 2.039) 2.039 26.179 ( 0.000 0.000 -3.399) 3.399 26.494 ( 0.000 0.000 6.269) 6.269 26.769 ( 0.000 0.000 -0.902) 0.902 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.812 0.000 3.366) 3.463 0.607 ( -0.987 0.000 1.998) 2.228 1.456 ( 2.500 0.000 20.607) 20.758 1.777 ( 8.005 0.000 22.547) 23.926 2.591 ( 4.281 0.000 25.877) 26.229 2.711 ( -8.593 0.000 2.571) 8.970 2.817 ( -2.660 0.000 25.083) 25.224 3.081 ( 10.485 0.000 2.849) 10.865 3.303 ( 7.150 0.000 3.515) 7.968 3.355 ( 3.931 0.000 -4.424) 5.918 3.405 ( 5.106 0.000 -0.273) 5.114 3.602 ( -1.061 0.000 -12.318) 12.363 3.769 ( -3.363 0.000 -0.840) 3.466 3.890 ( -1.620 0.000 -2.402) 2.897 4.101 ( -5.443 0.000 11.015) 12.286 4.224 ( -0.186 0.000 1.032) 1.048 4.235 ( 0.854 0.000 -2.072) 2.242 4.485 ( -12.580 0.000 4.591) 13.392 4.722 ( -1.014 0.000 2.042) 2.280 4.914 ( -8.260 0.000 -6.839) 10.724 5.042 ( 11.512 0.000 -3.071) 11.914 5.079 ( -6.281 0.000 -8.581) 10.635 5.188 ( -8.422 0.000 2.264) 8.721 5.504 ( 0.261 0.000 -1.862) 1.880 5.812 ( -3.658 0.000 0.631) 3.712 5.894 ( 6.556 0.000 -8.567) 10.788 5.993 ( 1.164 0.000 -3.066) 3.279 6.101 ( 7.178 0.000 -8.514) 11.136 6.250 ( 3.384 0.000 -1.835) 3.850 6.516 ( 8.935 0.000 -4.124) 9.841 7.164 ( -2.106 0.000 -7.292) 7.590 7.462 ( 1.270 0.000 -5.940) 6.074 7.841 ( -1.449 0.000 -6.223) 6.389 8.104 ( -1.020 0.000 -15.336) 15.370 9.112 ( -1.131 0.000 -3.374) 3.559 9.204 ( 0.198 0.000 1.120) 1.137 9.349 ( -0.691 0.000 -0.817) 1.070 9.579 ( 0.177 0.000 -1.801) 1.810 9.658 ( 4.071 0.000 8.816) 9.710 10.153 ( -0.059 0.000 1.426) 1.427 10.727 ( -11.496 0.000 1.423) 11.584 10.798 ( -8.037 0.000 -0.846) 8.082 11.178 ( -0.114 0.000 -2.754) 2.756 11.190 ( 7.060 0.000 0.218) 7.063 11.228 ( 5.058 0.000 -1.211) 5.200 11.371 ( -2.832 0.000 -6.865) 7.426 11.667 ( 3.022 0.000 7.810) 8.375 11.818 ( -0.006 0.000 6.551) 6.551 11.864 ( 1.359 0.000 5.271) 5.444 11.948 ( -0.627 0.000 1.935) 2.034 12.244 ( 4.722 0.000 3.635) 5.959 12.933 ( -6.850 0.000 -7.670) 10.283 14.040 ( -0.314 0.000 6.081) 6.090 14.269 ( -5.411 0.000 2.048) 5.786 14.510 ( 7.408 0.000 2.551) 7.835 14.892 ( -1.776 0.000 -3.414) 3.849 21.804 ( 0.945 0.000 4.431) 4.531 22.222 ( -6.591 0.000 -0.276) 6.596 22.250 ( 5.910 0.000 -3.298) 6.768 22.571 ( 3.916 0.000 -6.387) 7.492 23.514 ( 2.628 0.000 4.153) 4.915 23.584 ( 2.103 0.000 6.609) 6.936 23.964 ( -0.782 0.000 -1.499) 1.691 24.076 ( -1.584 0.000 -3.815) 4.131 25.264 ( 2.315 0.000 8.595) 8.901 25.444 ( 0.249 0.000 2.703) 2.714 25.699 ( 0.764 0.000 -0.537) 0.934 25.832 ( -2.173 0.000 -2.034) 2.977 25.974 ( 2.656 0.000 0.509) 2.704 26.167 ( -1.277 0.000 -3.218) 3.462 26.486 ( -0.695 0.000 6.075) 6.115 26.713 ( -5.517 0.000 0.629) 5.553 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 1.423 0.000 2.858) 3.192 0.584 ( -1.496 0.000 2.217) 2.675 1.621 ( 15.516 0.000 11.234) 19.156 1.979 ( 13.313 0.000 18.671) 22.931 2.385 ( -19.988 0.000 10.120) 22.404 2.506 ( -13.183 0.000 8.679) 15.783 2.966 ( 12.146 0.000 19.200) 22.720 3.312 ( 13.272 0.000 -1.746) 13.386 3.357 ( -6.307 0.000 -4.377) 7.677 3.505 ( 12.674 0.000 -3.234) 13.080 3.531 ( 8.344 0.000 0.457) 8.356 3.622 ( 6.392 0.000 3.446) 7.262 3.678 ( -6.394 0.000 -2.176) 6.754 3.836 ( -4.724 0.000 -1.553) 4.973 4.020 ( -4.049 0.000 5.217) 6.604 4.223 ( 0.262 0.000 1.381) 1.406 4.240 ( -13.902 0.000 4.483) 14.607 4.247 ( 0.156 0.000 0.090) 0.180 4.687 ( 0.048 0.000 5.834) 5.834 4.788 ( -4.122 0.000 -8.291) 9.259 4.925 ( -9.111 0.000 -8.341) 12.352 4.953 ( -9.952 0.000 4.635) 10.978 5.359 ( 14.518 0.000 0.051) 14.518 5.549 ( 5.046 0.000 3.453) 6.115 5.738 ( -4.341 0.000 5.019) 6.635 5.884 ( -11.543 0.000 -1.984) 11.712 6.045 ( 8.802 0.000 -7.167) 11.351 6.204 ( 2.649 0.000 -7.291) 7.757 6.361 ( 8.230 0.000 -8.908) 12.128 6.630 ( 0.176 0.000 -7.269) 7.271 7.194 ( 6.616 0.000 -3.739) 7.599 7.457 ( -2.509 0.000 -4.551) 5.197 7.846 ( 2.634 0.000 -13.164) 13.424 8.050 ( -5.011 0.000 -16.960) 17.685 9.109 ( 1.071 0.000 0.531) 1.195 9.189 ( -1.781 0.000 2.651) 3.194 9.356 ( 1.672 0.000 -2.988) 3.423 9.506 ( -5.469 0.000 -5.603) 7.829 9.817 ( 10.377 0.000 10.249) 14.585 10.122 ( -3.993 0.000 4.342) 5.899 10.566 ( -4.890 0.000 0.801) 4.956 10.652 ( -7.262 0.000 -1.087) 7.343 11.188 ( 1.377 0.000 -3.254) 3.533 11.281 ( 3.358 0.000 0.726) 3.436 11.303 ( -3.763 0.000 -5.168) 6.393 11.303 ( 2.047 0.000 -0.301) 2.070 11.745 ( 5.140 0.000 6.776) 8.505 11.827 ( 0.965 0.000 6.276) 6.350 11.871 ( -0.617 0.000 5.581) 5.615 11.917 ( -2.934 0.000 3.473) 4.546 12.377 ( 9.322 0.000 0.192) 9.324 12.769 ( -10.412 0.000 -5.032) 11.564 14.048 ( 1.468 0.000 4.283) 4.527 14.175 ( -4.771 0.000 2.193) 5.251 14.644 ( 6.928 0.000 1.394) 7.067 14.843 ( -3.626 0.000 -1.983) 4.133 21.846 ( 3.752 0.000 2.378) 4.442 22.074 ( -7.967 0.000 -0.632) 7.992 22.400 ( 8.425 0.000 -4.884) 9.739 22.601 ( -1.007 0.000 -7.594) 7.661 23.574 ( 3.532 0.000 4.516) 5.733 23.628 ( 1.913 0.000 5.740) 6.051 23.953 ( 0.102 0.000 -1.820) 1.823 24.035 ( -2.798 0.000 -3.117) 4.189 25.323 ( 3.884 0.000 8.258) 9.126 25.438 ( -1.243 0.000 4.663) 4.825 25.719 ( 1.436 0.000 -0.583) 1.550 25.790 ( -2.269 0.000 -1.114) 2.528 26.028 ( 3.116 0.000 -0.882) 3.239 26.134 ( -2.314 0.000 -2.701) 3.557 26.478 ( 0.221 0.000 5.529) 5.534 26.597 ( -6.226 0.000 3.149) 6.977 ======================= Grid point 150 (52/96) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -1.621 0.000 2.455) 2.942 0.555 ( 1.621 0.000 2.455) 2.942 1.983 ( -22.261 0.000 6.476) 23.184 1.983 ( 22.261 0.000 6.476) 23.184 2.244 ( -14.900 0.000 13.881) 20.363 2.244 ( 14.900 0.000 13.881) 20.363 3.180 ( -11.153 0.000 6.344) 12.831 3.180 ( 11.153 0.000 6.344) 12.831 3.526 ( -9.541 0.000 -3.180) 10.057 3.526 ( 9.541 0.000 -3.180) 10.057 3.694 ( -4.718 0.000 -3.245) 5.727 3.694 ( 4.718 0.000 -3.245) 5.727 3.707 ( -9.004 0.000 -0.046) 9.004 3.707 ( 9.004 0.000 -0.046) 9.004 4.015 ( -7.737 0.000 6.916) 10.377 4.015 ( 7.737 0.000 6.916) 10.377 4.236 ( -1.054 0.000 1.437) 1.782 4.236 ( 1.054 0.000 1.437) 1.782 4.774 ( -8.541 0.000 7.954) 11.671 4.774 ( 8.541 0.000 7.954) 11.671 4.791 ( -4.396 0.000 -8.635) 9.689 4.791 ( 4.396 0.000 -8.635) 9.689 5.623 ( -13.086 0.000 0.782) 13.110 5.623 ( 13.086 0.000 0.782) 13.110 5.658 ( -6.954 0.000 3.940) 7.993 5.658 ( 6.954 0.000 3.940) 7.993 6.180 ( -4.977 0.000 -6.509) 8.193 6.180 ( 4.977 0.000 -6.509) 8.193 6.529 ( -9.036 0.000 -10.241) 13.658 6.529 ( 9.036 0.000 -10.241) 13.658 7.355 ( -8.431 0.000 -2.376) 8.759 7.355 ( 8.431 0.000 -2.376) 8.759 7.936 ( -6.512 0.000 -17.350) 18.532 7.936 ( 6.512 0.000 -17.350) 18.532 9.146 ( -2.572 0.000 3.005) 3.955 9.146 ( 2.572 0.000 3.005) 3.955 9.412 ( -4.331 0.000 -5.098) 6.690 9.412 ( 4.331 0.000 -5.098) 6.690 10.000 ( -8.893 0.000 7.720) 11.776 10.000 ( 8.893 0.000 7.720) 11.776 10.553 ( -2.963 0.000 -0.543) 3.013 10.553 ( 2.963 0.000 -0.543) 3.013 11.232 ( -3.315 0.000 -4.201) 5.351 11.232 ( 3.315 0.000 -4.201) 5.351 11.318 ( -0.664 0.000 0.695) 0.962 11.318 ( 0.664 0.000 0.695) 0.962 11.842 ( -4.998 0.000 5.281) 7.271 11.842 ( 4.998 0.000 5.281) 7.271 11.850 ( -1.407 0.000 5.960) 6.124 11.850 ( 1.407 0.000 5.960) 6.124 12.568 ( -11.049 0.000 -2.598) 11.351 12.568 ( 11.049 0.000 -2.598) 11.351 14.096 ( -3.641 0.000 2.806) 4.597 14.096 ( 3.641 0.000 2.806) 4.597 14.759 ( -5.462 0.000 -0.213) 5.467 14.759 ( 5.462 0.000 -0.213) 5.467 21.940 ( -6.356 0.000 0.552) 6.380 21.940 ( 6.356 0.000 0.552) 6.380 22.535 ( -5.833 0.000 -6.903) 9.037 22.535 ( 5.833 0.000 -6.903) 9.037 23.629 ( -1.915 0.000 4.875) 5.238 23.629 ( 1.915 0.000 4.875) 5.238 23.981 ( -2.722 0.000 -2.358) 3.601 23.981 ( 2.722 0.000 -2.358) 3.601 25.394 ( -3.438 0.000 6.923) 7.729 25.394 ( 3.438 0.000 6.923) 7.729 25.751 ( -1.952 0.000 -0.732) 2.085 25.751 ( 1.952 0.000 -0.732) 2.085 26.085 ( -2.949 0.000 -1.908) 3.512 26.085 ( 2.949 0.000 -1.908) 3.512 26.508 ( -3.235 0.000 4.664) 5.676 26.508 ( 3.235 0.000 4.664) 5.676 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 14.475 2.511) 14.692 0.818 ( 0.000 23.002 0.105) 23.003 1.562 ( 0.000 9.285 20.628) 22.622 1.704 ( 0.000 0.392 23.585) 23.588 2.589 ( 0.000 9.004 29.101) 30.462 2.795 ( 0.000 -1.628 10.055) 10.186 2.944 ( 0.000 6.518 8.514) 10.722 3.008 ( 0.000 3.397 9.653) 10.233 3.187 ( 0.000 -6.063 2.771) 6.666 3.324 ( 0.000 0.237 -3.365) 3.374 3.362 ( 0.000 0.795 7.584) 7.626 3.491 ( 0.000 -6.972 -13.170) 14.902 3.741 ( 0.000 -4.547 0.888) 4.633 3.973 ( 0.000 -12.683 5.007) 13.636 4.028 ( 0.000 4.188 -3.899) 5.722 4.124 ( 0.000 -7.863 3.456) 8.589 4.175 ( 0.000 -4.441 2.252) 4.979 4.561 ( 0.000 -7.621 4.264) 8.732 4.811 ( 0.000 6.538 -1.201) 6.647 4.824 ( 0.000 -0.421 -2.780) 2.812 5.076 ( 0.000 5.324 -6.009) 8.028 5.111 ( 0.000 -4.201 -3.161) 5.257 5.499 ( 0.000 11.811 -4.481) 12.632 5.579 ( 0.000 8.172 -9.545) 12.566 5.705 ( 0.000 -8.248 -6.260) 10.354 5.746 ( 0.000 -7.511 -4.914) 8.976 5.940 ( 0.000 0.473 -2.008) 2.063 6.066 ( 0.000 2.104 -3.824) 4.364 6.242 ( 0.000 0.730 1.573) 1.734 6.449 ( 0.000 1.764 -5.827) 6.088 7.048 ( 0.000 -11.318 -9.128) 14.540 7.361 ( 0.000 -7.336 -7.943) 10.812 8.024 ( 0.000 12.592 -1.901) 12.735 8.155 ( 0.000 4.038 -12.379) 13.021 9.044 ( 0.000 -6.788 -4.632) 8.218 9.176 ( 0.000 -1.878 -1.185) 2.221 9.384 ( 0.000 1.944 0.453) 1.996 9.557 ( 0.000 1.635 5.533) 5.769 9.695 ( 0.000 3.097 1.311) 3.363 10.109 ( 0.000 -3.623 0.083) 3.624 10.856 ( 0.000 -0.562 1.393) 1.502 10.927 ( 0.000 -1.378 -0.624) 1.513 11.002 ( 0.000 -3.682 -0.051) 3.682 11.086 ( 0.000 -6.204 -0.656) 6.238 11.195 ( 0.000 1.113 -2.277) 2.534 11.386 ( 0.000 -1.238 -4.744) 4.903 11.664 ( 0.000 2.019 7.247) 7.523 11.845 ( 0.000 0.446 6.188) 6.204 11.911 ( 0.000 6.896 5.097) 8.575 11.949 ( 0.000 -0.092 1.294) 1.297 12.198 ( 0.000 -0.463 4.982) 5.004 12.814 ( 0.000 -13.040 -3.044) 13.390 14.263 ( 0.000 15.028 0.930) 15.057 14.369 ( 0.000 -0.006 -2.150) 2.150 14.396 ( 0.000 0.981 3.151) 3.301 14.902 ( 0.000 -0.605 -4.119) 4.163 21.806 ( 0.000 0.720 4.995) 5.046 22.143 ( 0.000 -2.642 0.150) 2.647 22.316 ( 0.000 -0.387 -2.679) 2.707 22.492 ( 0.000 -1.441 -4.827) 5.037 23.488 ( 0.000 -0.009 4.245) 4.245 23.560 ( 0.000 -0.350 6.490) 6.499 23.966 ( 0.000 -0.484 -1.030) 1.138 24.072 ( 0.000 -1.729 -2.851) 3.335 25.265 ( 0.000 2.227 8.584) 8.868 25.418 ( 0.000 -1.598 3.021) 3.418 25.690 ( 0.000 -1.774 2.150) 2.787 25.917 ( 0.000 -0.311 1.589) 1.619 25.919 ( 0.000 4.482 -2.296) 5.035 26.096 ( 0.000 -6.283 -2.447) 6.742 26.520 ( 0.000 1.778 3.900) 4.286 26.768 ( 0.000 -0.438 -2.089) 2.135 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.17 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.840 16.669 1.924) 16.801 0.817 ( 0.006 21.565 0.353) 21.568 1.551 ( 1.379 8.419 17.776) 19.717 1.788 ( 8.228 1.230 22.105) 23.619 2.621 ( -2.385 1.666 19.470) 19.686 2.686 ( -8.762 -0.783 6.191) 10.757 2.899 ( -0.336 7.129 23.244) 24.315 3.082 ( 3.708 -0.352 1.665) 4.080 3.235 ( 6.152 -6.357 -0.163) 8.848 3.381 ( 5.000 -2.652 -6.370) 8.521 3.433 ( 7.446 3.854 1.767) 8.568 3.526 ( 3.746 -2.163 -2.240) 4.871 3.663 ( -6.856 -9.113 1.480) 11.500 3.925 ( -5.988 -4.444 3.770) 8.356 4.038 ( 1.155 0.263 -1.191) 1.679 4.129 ( 1.377 -6.722 1.770) 7.087 4.170 ( -0.674 -4.666 2.929) 5.551 4.433 ( -9.945 -4.321 1.661) 10.970 4.755 ( -0.711 3.320 -0.196) 3.401 4.983 ( -4.442 2.959 -2.699) 5.981 5.042 ( 9.277 2.774 -5.278) 11.028 5.132 ( 0.721 2.980 -2.457) 3.929 5.315 ( -10.448 10.787 -2.157) 15.171 5.632 ( -1.088 11.046 -4.818) 12.100 5.734 ( 1.500 -7.239 -3.093) 8.014 5.803 ( 6.189 -8.027 -7.401) 12.550 5.941 ( 0.245 -2.450 -0.328) 2.484 6.122 ( 4.179 0.778 -5.428) 6.894 6.247 ( 0.858 -0.902 -2.453) 2.752 6.505 ( 5.489 -1.068 -4.348) 7.084 7.023 ( -1.600 -10.774 -8.247) 13.663 7.369 ( 0.182 -8.153 -8.311) 11.644 7.987 ( -2.227 11.011 -6.434) 12.946 8.178 ( 0.847 6.446 -11.403) 13.126 9.027 ( -1.296 -6.930 -3.601) 7.917 9.161 ( -1.766 -3.140 -0.974) 3.732 9.399 ( 1.479 3.383 0.484) 3.724 9.591 ( 1.261 1.016 -0.981) 1.893 9.694 ( 2.143 2.914 7.292) 8.140 10.110 ( -0.254 -3.840 1.093) 4.001 10.729 ( -10.467 0.235 1.341) 10.555 10.792 ( -7.207 -0.402 -0.500) 7.235 11.121 ( 3.658 -5.113 0.037) 6.287 11.141 ( 4.099 -5.423 -0.777) 6.843 11.212 ( 2.928 1.086 -1.531) 3.478 11.388 ( -0.043 0.267 -5.129) 5.136 11.680 ( 1.420 0.980 6.627) 6.848 11.834 ( -4.531 -0.502 4.207) 6.203 11.853 ( 0.989 1.433 6.420) 6.652 12.009 ( 2.603 4.819 3.225) 6.356 12.238 ( 4.513 -0.560 3.689) 5.856 12.773 ( -4.349 -11.576 -2.666) 12.650 14.211 ( -3.711 9.917 2.193) 10.813 14.311 ( -3.385 6.077 -2.029) 7.246 14.505 ( 7.296 -0.548 1.835) 7.543 14.886 ( -1.796 -0.634 -3.655) 4.122 21.815 ( 1.295 1.086 4.036) 4.375 22.214 ( 6.659 -2.849 -0.898) 7.298 22.230 ( -6.979 0.421 -2.590) 7.456 22.540 ( 2.952 -2.687 -6.038) 7.238 23.514 ( 2.745 0.089 4.411) 5.196 23.585 ( 2.580 0.092 6.315) 6.822 23.954 ( -1.189 -0.843 -0.987) 1.760 24.059 ( -1.454 -1.599 -2.628) 3.402 25.281 ( 1.691 1.749 8.396) 8.741 25.418 ( -0.071 -1.803 3.345) 3.801 25.705 ( 1.671 -1.418 2.252) 3.142 25.880 ( -1.988 2.553 0.575) 3.287 25.957 ( 2.044 1.489 -1.166) 2.785 26.084 ( -1.272 -6.098 -2.292) 6.638 26.515 ( -0.519 1.813 3.684) 4.139 26.718 ( -4.914 0.035 -0.889) 4.994 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.264 20.531 1.275) 20.573 0.821 ( 0.074 18.866 1.080) 18.897 1.682 ( 13.213 5.664 10.382) 17.733 1.986 ( 12.666 1.102 18.499) 22.447 2.380 ( -18.179 -0.393 7.332) 19.606 2.512 ( -12.723 0.616 10.180) 16.306 3.006 ( 9.453 3.019 17.604) 20.208 3.147 ( 3.819 -8.448 -0.164) 9.273 3.387 ( 6.105 -7.186 -3.392) 10.021 3.394 ( -2.045 -5.782 -3.604) 7.114 3.460 ( -5.446 -11.094 2.021) 12.522 3.618 ( 4.463 -0.565 1.271) 4.674 3.708 ( 11.104 7.119 -2.428) 13.412 3.817 ( -1.671 -2.535 7.306) 7.912 4.047 ( -1.200 1.790 -4.154) 4.679 4.097 ( -6.603 -7.812 7.131) 12.470 4.173 ( 1.379 -3.100 1.239) 3.612 4.296 ( -4.581 3.279 -0.348) 5.644 4.751 ( 2.579 5.787 2.816) 6.934 4.910 ( -2.450 8.427 -4.006) 9.647 5.026 ( -7.599 9.716 -4.002) 12.968 5.081 ( -6.717 8.992 -0.574) 11.239 5.372 ( 12.448 1.265 -0.418) 12.519 5.605 ( 0.479 4.462 2.411) 5.095 5.719 ( -2.849 -0.939 3.816) 4.853 5.853 ( -9.837 -2.866 -1.664) 10.380 5.967 ( 10.037 -7.411 -7.194) 14.402 6.180 ( 1.157 -1.996 -6.382) 6.786 6.309 ( 6.146 -4.221 -8.347) 11.192 6.567 ( -1.455 -5.444 -6.364) 8.501 7.055 ( 6.486 -10.756 -5.123) 13.564 7.342 ( -3.744 -9.570 -6.643) 12.237 7.984 ( 2.290 10.502 -12.013) 16.120 8.153 ( -3.616 8.469 -13.710) 16.516 9.019 ( 0.748 -7.322 -1.481) 7.507 9.113 ( -3.171 -5.337 -0.551) 6.232 9.434 ( 2.288 5.037 -0.216) 5.536 9.553 ( -3.782 3.716 -3.817) 6.533 9.812 ( 8.763 -0.512 9.409) 12.868 10.079 ( -3.621 -3.841 3.832) 6.523 10.584 ( -4.405 1.730 0.989) 4.835 10.660 ( -6.558 0.923 -0.668) 6.656 11.159 ( 1.213 -3.830 -1.030) 4.148 11.177 ( 0.859 -5.661 -0.821) 5.785 11.286 ( 3.617 -0.112 -0.282) 3.630 11.376 ( -1.410 2.700 -4.206) 5.193 11.702 ( 1.029 -2.802 5.569) 6.318 11.769 ( -2.613 -4.698 4.006) 6.704 11.891 ( 3.263 3.874 6.796) 8.476 12.018 ( -1.545 5.561 4.898) 7.570 12.358 ( 8.062 -1.696 1.230) 8.330 12.663 ( -7.274 -8.112 -1.720) 11.030 14.167 ( -0.754 7.896 1.706) 8.113 14.243 ( -3.780 7.175 -1.032) 8.175 14.637 ( 6.870 -0.711 0.732) 6.945 14.836 ( -3.661 -0.722 -2.417) 4.446 21.863 ( 3.999 1.627 2.021) 4.767 22.090 ( -7.622 1.524 -0.988) 7.835 22.360 ( 8.143 -3.641 -4.515) 9.998 22.558 ( -1.343 -3.797 -7.079) 8.145 23.578 ( 3.821 0.447 4.680) 6.058 23.638 ( 2.222 0.889 5.595) 6.086 23.935 ( -0.231 -1.569 -1.010) 1.880 24.019 ( -2.863 -1.549 -2.048) 3.846 25.324 ( 2.764 0.423 7.647) 8.142 25.408 ( -1.140 -1.896 4.461) 4.979 25.748 ( 2.816 -0.279 2.345) 3.675 25.844 ( -2.062 2.671 1.405) 3.655 25.991 ( 1.706 0.182 -1.656) 2.385 26.054 ( -1.835 -5.033 -2.021) 5.726 26.509 ( 0.196 1.765 3.177) 3.640 26.614 ( -5.614 0.846 1.215) 5.806 ======================= Grid point 157 (56/96) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.396 19.876 1.303) 19.922 0.816 ( 0.396 19.876 1.303) 19.922 1.999 ( -19.221 1.777 6.186) 20.270 1.999 ( 19.221 1.777 6.186) 20.270 2.258 ( -13.629 1.469 13.683) 19.368 2.258 ( 13.629 1.469 13.683) 19.368 3.164 ( -5.440 -3.534 4.736) 8.032 3.164 ( 5.440 -3.534 4.736) 8.032 3.339 ( -3.384 -11.203 2.981) 12.077 3.339 ( 3.384 -11.203 2.981) 12.077 3.562 ( -8.242 -6.834 -4.458) 11.597 3.562 ( 8.242 -6.834 -4.458) 11.597 3.884 ( -7.012 3.462 2.366) 8.170 3.884 ( 7.012 3.462 2.366) 8.170 3.979 ( -3.670 -0.305 0.629) 3.736 3.979 ( 3.670 -0.305 0.629) 3.736 4.220 ( -3.804 1.356 2.318) 4.656 4.220 ( 3.804 1.356 2.318) 4.656 4.879 ( -7.429 8.709 4.044) 12.140 4.879 ( 7.429 8.709 4.044) 12.140 4.935 ( -2.979 11.529 -4.949) 12.896 4.935 ( 2.979 11.529 -4.949) 12.896 5.614 ( -12.473 -0.889 0.690) 12.524 5.614 ( 12.473 -0.889 0.690) 12.524 5.659 ( -5.204 0.143 3.425) 6.232 5.659 ( 5.204 0.143 3.425) 6.232 6.132 ( -6.482 -4.673 -6.326) 10.192 6.132 ( 6.482 -4.673 -6.326) 10.192 6.455 ( -8.723 -6.127 -9.752) 14.447 6.455 ( 8.723 -6.127 -9.752) 14.447 7.220 ( -9.153 -10.728 -3.962) 14.648 7.220 ( 9.153 -10.728 -3.962) 14.648 8.062 ( -5.493 9.798 -14.961) 18.709 8.062 ( 5.493 9.798 -14.961) 18.709 9.055 ( -2.889 -6.950 -0.394) 7.537 9.055 ( 2.889 -6.950 -0.394) 7.537 9.485 ( -3.324 5.194 -1.991) 6.480 9.485 ( 3.324 5.194 -1.991) 6.480 9.971 ( -7.818 -2.632 6.975) 10.803 9.971 ( 7.818 -2.632 6.975) 10.803 10.571 ( -2.617 1.803 -0.081) 3.179 10.571 ( 2.617 1.803 -0.081) 3.179 11.178 ( -0.684 -4.670 -1.289) 4.893 11.178 ( 0.684 -4.670 -1.289) 4.893 11.339 ( -2.412 1.717 -1.500) 3.319 11.339 ( 2.412 1.717 -1.500) 3.319 11.728 ( -1.886 -5.284 4.384) 7.120 11.728 ( 1.886 -5.284 4.384) 7.120 11.963 ( -4.018 5.313 6.184) 9.089 11.963 ( 4.018 5.313 6.184) 9.089 12.515 ( -8.605 -4.405 -0.483) 9.679 12.515 ( 8.605 -4.405 -0.483) 9.679 14.184 ( -2.375 7.313 0.376) 7.698 14.184 ( 2.375 7.313 0.376) 7.698 14.751 ( -5.454 -0.786 -0.807) 5.569 14.751 ( 5.454 -0.786 -0.807) 5.569 21.960 ( -6.337 1.830 0.204) 6.599 21.960 ( 6.337 1.830 0.204) 6.599 22.491 ( -5.714 -3.975 -6.500) 9.524 22.491 ( 5.714 -3.975 -6.500) 9.524 23.639 ( -2.170 0.971 4.919) 5.464 23.639 ( 2.170 0.971 4.919) 5.464 23.962 ( -2.858 -1.773 -1.371) 3.632 23.962 ( 2.858 -1.773 -1.371) 3.632 25.374 ( -2.488 -1.107 6.172) 6.746 25.374 ( 2.488 -1.107 6.172) 6.746 25.800 ( -2.688 1.502 2.086) 3.719 25.800 ( 2.688 1.502 2.086) 3.719 26.021 ( -1.649 -2.416 -1.884) 3.480 26.021 ( 1.649 -2.416 -1.884) 3.480 26.534 ( -2.808 1.426 2.509) 4.026 26.534 ( 2.808 1.426 2.509) 4.026 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 17.086 3.227) 17.388 1.288 ( 0.000 18.524 -0.905) 18.546 1.747 ( 0.000 5.041 19.602) 20.240 1.818 ( 0.000 13.739 11.751) 18.079 2.737 ( 0.000 -3.008 13.739) 14.065 2.774 ( 0.000 6.194 12.773) 14.196 2.973 ( 0.000 -11.150 0.347) 11.156 3.079 ( 0.000 -2.687 1.253) 2.964 3.127 ( 0.000 6.597 0.673) 6.631 3.277 ( 0.000 1.635 5.499) 5.737 3.395 ( 0.000 2.356 15.642) 15.819 3.456 ( 0.000 3.031 -1.933) 3.595 3.594 ( 0.000 -17.713 9.010) 19.873 3.659 ( 0.000 -2.379 2.363) 3.353 3.903 ( 0.000 -10.222 8.850) 13.521 4.051 ( 0.000 -7.205 5.441) 9.029 4.223 ( 0.000 10.019 -7.506) 12.519 4.406 ( 0.000 -4.882 0.640) 4.924 4.802 ( 0.000 -2.080 -1.903) 2.819 4.897 ( 0.000 -4.335 -1.180) 4.493 5.010 ( 0.000 -0.697 -3.163) 3.238 5.181 ( 0.000 1.314 -10.538) 10.620 5.512 ( 0.000 -3.998 -4.045) 5.687 5.570 ( 0.000 -2.430 -2.569) 3.536 5.808 ( 0.000 9.118 -8.707) 12.607 5.881 ( 0.000 17.752 -9.817) 20.286 5.930 ( 0.000 -0.519 0.705) 0.876 6.083 ( 0.000 -0.999 0.525) 1.129 6.209 ( 0.000 -3.853 -3.843) 5.441 6.474 ( 0.000 0.319 -6.225) 6.234 6.812 ( 0.000 -9.530 -8.774) 12.954 7.143 ( 0.000 -12.920 -11.944) 17.595 8.262 ( 0.000 5.742 -6.846) 8.935 8.307 ( 0.000 12.488 -0.766) 12.511 8.894 ( 0.000 -6.277 -5.836) 8.571 9.111 ( 0.000 -4.353 -5.027) 6.650 9.444 ( 0.000 3.584 2.293) 4.254 9.582 ( 0.000 0.671 2.513) 2.601 9.765 ( 0.000 3.058 2.164) 3.746 10.011 ( 0.000 -5.231 -0.314) 5.240 10.845 ( 0.000 -0.333 1.118) 1.166 10.892 ( 0.000 -1.740 -0.084) 1.742 10.916 ( 0.000 -3.860 0.833) 3.949 10.956 ( 0.000 -5.412 0.680) 5.455 11.224 ( 0.000 1.537 -1.549) 2.182 11.349 ( 0.000 -2.096 -2.123) 2.984 11.715 ( 0.000 2.561 6.419) 6.911 11.848 ( 0.000 -0.605 7.051) 7.077 11.964 ( 0.000 1.910 2.163) 2.885 12.058 ( 0.000 5.480 5.223) 7.570 12.191 ( 0.000 0.490 2.902) 2.943 12.562 ( 0.000 -9.976 0.606) 9.994 14.370 ( 0.000 0.135 -3.245) 3.248 14.386 ( 0.000 0.199 3.468) 3.473 14.581 ( 0.000 11.452 -8.625) 14.336 14.883 ( 0.000 -1.233 -4.758) 4.916 21.833 ( 0.000 1.850 3.808) 4.234 22.067 ( 0.000 -4.302 0.266) 4.310 22.316 ( 0.000 0.561 -2.575) 2.636 22.450 ( 0.000 -2.459 -4.581) 5.199 23.492 ( 0.000 0.545 4.855) 4.885 23.550 ( 0.000 -0.608 5.825) 5.857 23.956 ( 0.000 -0.374 -0.097) 0.387 24.025 ( 0.000 -2.450 -0.245) 2.463 25.336 ( 0.000 4.298 8.929) 9.910 25.391 ( 0.000 -0.630 5.101) 5.139 25.595 ( 0.000 -5.518 6.241) 8.331 25.870 ( 0.000 -8.922 4.493) 9.990 25.984 ( 0.000 5.561 -1.267) 5.703 26.087 ( 0.000 4.898 -6.728) 8.322 26.552 ( 0.000 1.272 1.129) 1.701 26.739 ( 0.000 -2.405 -3.357) 4.130 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.17 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 2.844 17.441 2.578) 17.859 1.285 ( -0.322 19.584 -0.832) 19.605 1.761 ( 1.368 9.190 12.071) 15.233 1.866 ( 6.294 7.859 16.848) 19.627 2.604 ( -9.715 -2.512 9.067) 13.524 2.724 ( -9.150 2.623 8.776) 12.947 3.003 ( -2.991 -9.073 1.116) 9.618 3.053 ( 6.866 -0.823 6.609) 9.565 3.112 ( -3.653 3.470 11.617) 12.663 3.249 ( -0.411 -4.861 -6.363) 8.018 3.378 ( -10.373 -12.580 7.302) 17.865 3.516 ( 6.912 0.188 12.373) 14.174 3.589 ( 11.073 2.589 -0.342) 11.377 3.783 ( 0.045 -3.656 5.101) 6.276 3.893 ( 1.945 -10.330 4.575) 11.464 4.036 ( -1.648 -7.496 5.113) 9.223 4.220 ( 0.157 9.292 -5.438) 10.767 4.403 ( 2.845 4.191 -1.280) 5.225 4.813 ( 2.212 1.106 -0.699) 2.570 4.981 ( 2.041 -2.810 0.870) 3.580 5.091 ( 13.001 0.110 -3.914) 13.578 5.246 ( 4.701 4.425 -9.125) 11.177 5.507 ( -6.521 0.373 -0.992) 6.606 5.577 ( 4.007 -4.070 -6.535) 8.679 5.666 ( -5.444 3.869 -5.075) 8.388 5.829 ( -4.945 1.209 -4.259) 6.637 5.987 ( -1.809 9.669 0.695) 9.861 6.121 ( 4.072 -0.361 -3.647) 5.478 6.191 ( -1.182 -3.683 -4.919) 6.258 6.471 ( -0.219 -1.808 -5.094) 5.410 6.791 ( -1.591 -9.929 -8.496) 13.164 7.140 ( -0.803 -13.046 -11.131) 17.168 8.212 ( -2.111 9.272 -6.865) 11.728 8.360 ( 2.487 9.822 -4.540) 11.103 8.868 ( -2.208 -7.018 -5.492) 9.181 9.074 ( -3.815 -5.122 -4.751) 7.960 9.475 ( 2.908 3.772 2.322) 5.298 9.614 ( 2.885 0.899 0.642) 3.089 9.756 ( -0.452 2.588 4.258) 5.003 10.006 ( -0.717 -5.525 0.501) 5.594 10.742 ( -7.595 1.187 1.379) 7.810 10.793 ( -4.894 0.787 0.118) 4.958 10.986 ( 2.170 -6.325 1.592) 6.874 11.029 ( 4.394 -5.441 -0.137) 6.994 11.241 ( 2.198 1.692 -1.292) 3.061 11.372 ( 2.277 -1.545 -2.506) 3.722 11.703 ( -1.467 1.205 5.074) 5.418 11.800 ( -6.368 -1.819 4.066) 7.771 11.926 ( 0.866 4.506 5.733) 7.343 12.114 ( 2.803 3.979 5.376) 7.251 12.224 ( 3.444 -0.238 2.666) 4.362 12.544 ( -1.963 -9.221 1.072) 9.488 14.312 ( -1.998 3.046 -0.199) 3.648 14.478 ( 5.050 -0.920 -1.791) 5.436 14.549 ( -2.497 10.413 -5.958) 12.254 14.864 ( -2.023 -1.430 -4.475) 5.114 21.852 ( 2.208 2.423 2.915) 4.387 22.126 ( 5.833 -4.952 -1.320) 7.764 22.255 ( -5.441 1.805 -2.037) 6.083 22.467 ( 0.765 -3.943 -5.256) 6.615 23.523 ( 3.136 0.771 4.932) 5.895 23.586 ( 3.666 -0.128 5.669) 6.752 23.936 ( -2.032 -0.688 0.303) 2.166 24.014 ( -1.351 -2.463 -0.177) 2.815 25.340 ( 0.457 3.738 8.398) 9.204 25.390 ( -0.167 -0.582 4.796) 4.834 25.606 ( 1.134 -6.120 6.359) 8.898 25.839 ( -2.959 -8.213 4.247) 9.708 26.012 ( 2.610 5.256 -0.990) 5.951 26.097 ( 1.020 5.899 -6.049) 8.510 26.541 ( -1.094 0.679 1.118) 1.705 26.698 ( -4.115 -2.093 -2.637) 5.317 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 2.628 19.161 1.311) 19.385 1.276 ( -0.569 20.842 -0.379) 20.853 1.842 ( 8.447 8.072 5.993) 13.131 2.035 ( 10.965 3.149 15.939) 19.601 2.379 ( -13.982 0.411 3.999) 14.548 2.530 ( -11.717 1.114 11.045) 16.141 2.928 ( -2.895 -11.019 4.323) 12.186 3.022 ( -6.090 -9.412 8.833) 14.272 3.186 ( 0.640 -0.156 9.551) 9.574 3.236 ( 4.824 -7.452 -1.141) 8.950 3.294 ( 1.163 -6.288 -1.210) 6.508 3.633 ( -8.418 -1.743 -3.392) 9.242 3.651 ( 7.030 -4.281 10.909) 13.666 3.813 ( 7.770 -3.005 1.939) 8.553 3.893 ( -3.505 -9.407 4.373) 10.949 4.009 ( -1.784 -5.826 -1.224) 6.215 4.283 ( 7.168 13.896 -1.383) 15.697 4.499 ( 3.459 15.000 -2.369) 15.575 4.884 ( 7.715 5.291 2.527) 9.690 5.059 ( 5.014 5.134 -0.293) 7.182 5.263 ( -1.396 10.465 -4.761) 11.582 5.282 ( -3.617 8.978 -4.400) 10.632 5.406 ( 6.662 0.236 -1.893) 6.930 5.581 ( -1.517 -3.671 1.765) 4.347 5.719 ( 2.646 -9.286 -6.516) 11.648 5.781 ( 3.371 -5.552 -4.830) 8.094 5.841 ( -11.286 5.665 5.117) 13.625 6.118 ( -4.296 -4.546 -4.583) 7.754 6.238 ( 4.960 -0.125 -7.342) 8.861 6.443 ( -3.910 -4.482 -5.451) 8.068 6.807 ( 4.931 -11.828 -6.018) 14.158 7.092 ( -4.918 -13.452 -7.855) 16.336 8.215 ( 2.458 10.498 -10.539) 15.077 8.364 ( -2.291 10.578 -9.504) 14.404 8.844 ( 0.420 -8.491 -4.292) 9.523 8.985 ( -5.459 -6.692 -4.343) 9.667 9.535 ( 3.379 4.437 1.977) 5.917 9.638 ( -1.168 3.868 -1.715) 4.390 9.791 ( 4.749 -1.524 7.236) 8.788 9.974 ( -2.982 -5.645 2.627) 6.904 10.641 ( -2.972 3.707 1.530) 4.991 10.701 ( -4.743 3.051 0.136) 5.641 11.022 ( 1.708 -7.135 1.765) 7.546 11.065 ( 0.109 -6.178 -0.068) 6.179 11.305 ( 4.327 1.807 -1.182) 4.836 11.415 ( 1.484 0.860 -3.173) 3.607 11.646 ( -4.305 -2.248 3.737) 6.128 11.688 ( -4.309 -2.801 2.368) 5.659 11.985 ( 4.591 4.875 6.919) 9.629 12.129 ( -1.299 4.749 5.691) 7.525 12.307 ( 5.289 -3.036 2.990) 6.792 12.491 ( -3.774 -7.437 2.054) 8.589 14.307 ( 1.463 6.146 -1.139) 6.420 14.449 ( -4.965 9.693 -5.683) 12.284 14.611 ( 6.202 -1.803 -0.762) 6.504 14.809 ( -3.988 -1.910 -3.589) 5.695 21.916 ( 4.671 3.331 0.998) 5.824 22.139 ( -6.578 3.020 -2.132) 7.546 22.256 ( 7.301 -5.763 -3.267) 9.858 22.454 ( -2.391 -5.639 -5.911) 8.512 23.598 ( 4.688 1.522 4.959) 6.991 23.664 ( 3.676 1.339 5.176) 6.488 23.895 ( -1.681 -1.969 0.890) 2.738 23.972 ( -3.158 -2.723 0.248) 4.177 25.352 ( 0.852 2.351 7.047) 7.477 25.384 ( -0.543 -0.119 4.652) 4.685 25.639 ( 2.535 -7.481 6.189) 10.035 25.773 ( -4.028 -8.355 4.549) 10.331 26.067 ( 3.091 6.805 -1.287) 7.584 26.118 ( 0.837 7.905 -4.385) 9.078 26.521 ( -0.669 -0.822 0.938) 1.415 26.607 ( -5.133 -1.782 -1.157) 5.555 ======================= Grid point 164 (60/96) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.077 20.795 0.330) 20.825 1.262 ( 1.077 20.795 0.330) 20.825 2.059 ( -13.191 2.843 3.085) 13.842 2.059 ( 13.191 2.843 3.085) 13.842 2.305 ( -11.293 2.943 13.507) 17.850 2.305 ( 11.293 2.943 13.507) 17.850 2.926 ( -2.960 -14.567 6.126) 16.078 2.926 ( 2.960 -14.567 6.126) 16.078 3.221 ( -3.077 -2.909 5.784) 7.169 3.221 ( 3.077 -2.909 5.784) 7.169 3.444 ( -10.580 -3.445 -3.710) 11.729 3.444 ( 10.580 -3.445 -3.710) 11.729 3.784 ( -6.658 -7.034 7.621) 12.324 3.784 ( 6.658 -7.034 7.621) 12.324 3.944 ( -5.158 -5.425 -3.049) 8.082 3.944 ( 5.158 -5.425 -3.049) 8.082 4.442 ( -8.174 17.224 -1.007) 19.091 4.442 ( 8.174 17.224 -1.007) 19.091 5.073 ( -8.257 7.847 3.404) 11.889 5.073 ( 8.257 7.847 3.404) 11.889 5.202 ( -4.612 12.365 -6.218) 14.589 5.202 ( 4.612 12.365 -6.218) 14.589 5.585 ( -9.791 -1.871 -0.503) 9.981 5.585 ( 9.791 -1.871 -0.503) 9.981 5.652 ( -7.511 -1.376 2.603) 8.068 5.652 ( 7.511 -1.376 2.603) 8.068 5.978 ( -10.879 -9.496 -5.148) 15.331 5.978 ( 10.879 -9.496 -5.148) 15.331 6.340 ( -6.130 -2.479 -7.674) 10.130 6.340 ( 6.130 -2.479 -7.674) 10.130 6.955 ( -9.285 -13.622 -4.655) 17.130 6.955 ( 9.285 -13.622 -4.655) 17.130 8.290 ( -4.957 10.947 -12.276) 17.179 8.290 ( 4.957 10.947 -12.276) 17.179 8.891 ( -4.296 -8.182 -3.950) 10.050 8.891 ( 4.296 -8.182 -3.950) 10.050 9.594 ( -3.000 4.887 0.588) 5.764 9.594 ( 3.000 4.887 0.588) 5.764 9.894 ( -5.512 -4.433 5.124) 8.734 9.894 ( 5.512 -4.433 5.124) 8.734 10.635 ( -2.001 4.237 0.870) 4.766 10.635 ( 2.001 4.237 0.870) 4.766 11.051 ( -1.384 -6.916 0.868) 7.107 11.051 ( 1.384 -6.916 0.868) 7.107 11.388 ( -4.115 2.842 -2.161) 5.448 11.388 ( 4.115 2.842 -2.161) 5.448 11.625 ( -2.242 -4.434 2.477) 5.552 11.625 ( 2.242 -4.434 2.477) 5.552 12.073 ( -4.425 5.099 6.370) 9.282 12.073 ( 4.425 5.099 6.370) 9.282 12.407 ( -5.232 -5.425 2.822) 8.047 12.407 ( 5.232 -5.425 2.822) 8.047 14.361 ( -4.174 8.586 -3.049) 10.022 14.361 ( 4.174 8.586 -3.049) 10.022 14.720 ( -5.531 -2.291 -2.275) 6.405 14.720 ( 5.531 -2.291 -2.275) 6.405 22.018 ( -6.264 3.668 -0.781) 7.300 22.018 ( 6.264 3.668 -0.781) 7.300 22.379 ( -5.633 -6.234 -5.390) 9.982 22.379 ( 5.633 -6.234 -5.390) 9.982 23.674 ( -2.726 2.458 4.875) 6.102 23.674 ( 2.726 2.458 4.875) 6.102 23.908 ( -3.089 -3.220 0.845) 4.542 23.908 ( 3.089 -3.220 0.845) 4.542 25.370 ( -0.943 0.899 5.528) 5.679 25.370 ( 0.943 0.899 5.528) 5.679 25.698 ( -3.829 -8.394 5.374) 10.677 25.698 ( 3.829 -8.394 5.374) 10.677 26.113 ( -1.539 8.547 -2.492) 9.035 26.113 ( 1.539 8.547 -2.492) 9.035 26.533 ( -2.397 -1.836 0.166) 3.023 26.533 ( 2.397 -1.836 0.166) 3.023 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 9.448 4.414) 10.429 1.513 ( 0.000 2.912 4.970) 5.760 1.959 ( 0.000 12.468 7.439) 14.519 2.065 ( 0.000 5.892 3.747) 6.983 2.701 ( 0.000 -0.461 7.084) 7.099 2.770 ( 0.000 -2.591 4.641) 5.315 2.795 ( 0.000 -5.365 -4.509) 7.008 2.871 ( 0.000 -10.049 6.041) 11.725 3.213 ( 0.000 1.538 3.009) 3.379 3.283 ( 0.000 -7.829 10.914) 13.432 3.440 ( 0.000 6.344 14.332) 15.673 3.455 ( 0.000 2.891 17.497) 17.734 3.571 ( 0.000 4.798 -0.420) 4.816 3.629 ( 0.000 -1.594 0.840) 1.801 3.748 ( 0.000 -1.680 13.170) 13.276 3.870 ( 0.000 -9.231 10.501) 13.982 4.428 ( 0.000 7.334 -1.362) 7.460 4.461 ( 0.000 11.902 -6.616) 13.617 4.675 ( 0.000 -12.747 0.201) 12.749 4.703 ( 0.000 -8.186 -2.592) 8.586 5.028 ( 0.000 0.916 -5.895) 5.966 5.089 ( 0.000 -5.610 -8.685) 10.339 5.579 ( 0.000 5.872 -5.859) 8.295 5.598 ( 0.000 3.149 -3.325) 4.579 5.864 ( 0.000 0.070 -0.978) 0.980 5.970 ( 0.000 -8.489 -0.217) 8.492 6.031 ( 0.000 6.915 -4.370) 8.180 6.129 ( 0.000 -2.188 -6.290) 6.660 6.271 ( 0.000 15.373 -10.515) 18.625 6.457 ( 0.000 -2.501 -7.461) 7.869 6.685 ( 0.000 -1.225 -8.353) 8.442 6.839 ( 0.000 -14.175 -12.554) 18.935 8.388 ( 0.000 5.808 -1.924) 6.119 8.466 ( 0.000 0.635 1.515) 1.643 8.850 ( 0.000 3.709 -9.743) 10.425 8.988 ( 0.000 -7.083 -8.159) 10.804 9.524 ( 0.000 3.554 2.963) 4.627 9.578 ( 0.000 -1.288 2.730) 3.019 9.825 ( 0.000 2.938 0.778) 3.039 9.904 ( 0.000 -4.540 -0.169) 4.543 10.845 ( 0.000 0.379 0.645) 0.748 10.858 ( 0.000 -1.240 1.399) 1.869 10.859 ( 0.000 -1.222 0.902) 1.519 10.872 ( 0.000 -2.314 0.761) 2.436 11.260 ( 0.000 1.873 -0.973) 2.111 11.303 ( 0.000 -2.140 -1.030) 2.375 11.768 ( 0.000 2.465 6.132) 6.608 11.817 ( 0.000 -2.058 6.327) 6.653 12.025 ( 0.000 3.366 4.772) 5.840 12.086 ( 0.000 -1.923 6.738) 7.007 12.262 ( 0.000 5.414 0.393) 5.429 12.389 ( 0.000 -6.678 0.961) 6.746 14.375 ( 0.000 0.352 -3.195) 3.214 14.383 ( 0.000 -0.345 -0.911) 0.974 14.761 ( 0.000 5.786 -8.064) 9.925 14.845 ( 0.000 -2.532 -6.202) 6.699 21.888 ( 0.000 3.320 2.240) 4.005 21.971 ( 0.000 -4.423 0.926) 4.519 22.343 ( 0.000 1.935 -3.090) 3.646 22.394 ( 0.000 -2.676 -3.921) 4.747 23.511 ( 0.000 1.093 5.228) 5.341 23.534 ( 0.000 -0.970 5.365) 5.452 23.955 ( 0.000 0.442 1.035) 1.125 23.978 ( 0.000 -1.748 1.349) 2.208 25.396 ( 0.000 1.066 7.546) 7.621 25.416 ( 0.000 1.054 10.649) 10.701 25.532 ( 0.000 2.163 4.143) 4.674 25.672 ( 0.000 -8.864 4.989) 10.172 26.103 ( 0.000 4.769 -2.781) 5.521 26.155 ( 0.000 0.427 -4.766) 4.785 26.592 ( 0.000 2.873 -1.441) 3.214 26.669 ( 0.000 -3.900 -3.234) 5.067 ======================= Grid point 169 (62/96) ======================= q-point: ( 0.17 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 4.205 10.235 4.180) 11.828 1.557 ( 4.275 4.373 3.172) 6.889 1.953 ( -0.659 10.071 5.084) 11.301 2.053 ( -0.677 4.487 4.763) 6.578 2.557 ( -8.820 -0.473 4.030) 9.708 2.653 ( -6.643 -7.907 5.065) 11.503 2.923 ( -6.250 0.891 8.733) 10.776 2.962 ( 10.374 -1.601 -0.069) 10.497 3.089 ( -1.317 -5.221 -0.099) 5.385 3.102 ( -15.843 -8.383 10.274) 20.660 3.358 ( -4.403 8.668 15.893) 18.630 3.501 ( 0.346 -3.471 15.073) 15.471 3.615 ( 5.065 1.487 1.654) 5.531 3.701 ( 1.467 -6.500 5.687) 8.761 3.773 ( 1.137 2.128 2.834) 3.722 3.878 ( 0.840 -6.786 4.679) 8.285 4.471 ( 6.477 14.537 -4.706) 16.596 4.604 ( 13.289 12.162 -0.475) 18.020 4.762 ( 6.207 -8.452 -2.872) 10.872 4.832 ( 14.796 -10.060 1.960) 17.999 5.063 ( 4.303 0.217 -4.899) 6.524 5.157 ( 7.136 -8.311 -8.067) 13.605 5.568 ( -3.397 4.993 -2.551) 6.556 5.602 ( 1.916 4.475 -6.119) 7.819 5.782 ( -7.911 1.147 -2.109) 8.267 5.894 ( -9.834 4.695 -4.055) 11.627 5.947 ( -3.835 -4.222 -0.418) 5.719 6.089 ( -4.441 -5.776 -3.892) 8.260 6.342 ( 3.937 12.205 -8.483) 15.376 6.448 ( -0.463 -0.426 -6.757) 6.787 6.648 ( -3.658 -1.234 -7.750) 8.659 6.835 ( -0.869 -14.690 -11.143) 18.458 8.385 ( 0.336 7.221 -3.589) 8.071 8.490 ( 2.326 -0.456 -0.325) 2.392 8.804 ( -4.600 3.204 -9.918) 11.392 8.941 ( -4.780 -7.247 -7.981) 11.793 9.555 ( 3.091 3.586 3.019) 5.615 9.612 ( 3.402 -1.438 2.499) 4.459 9.811 ( -1.500 2.980 1.364) 3.604 9.893 ( -1.200 -4.772 0.321) 4.931 10.784 ( -3.579 2.868 1.846) 4.944 10.832 ( -1.525 2.624 0.297) 3.049 10.868 ( -0.084 -4.436 2.057) 4.891 10.918 ( 1.850 -4.765 0.087) 5.112 11.283 ( 2.547 2.160 -0.855) 3.447 11.330 ( 2.893 -2.217 -1.061) 3.796 11.731 ( -3.920 1.402 4.242) 5.944 11.763 ( -5.771 -1.645 3.922) 7.169 12.030 ( 1.761 4.897 6.059) 7.987 12.119 ( 2.934 -3.004 6.812) 8.002 12.274 ( 0.634 4.417 1.637) 4.753 12.384 ( -0.697 -6.053 1.999) 6.413 14.377 ( 1.580 3.035 -2.334) 4.142 14.437 ( 4.386 -2.507 -2.372) 5.580 14.727 ( -3.551 6.089 -7.229) 10.097 14.820 ( -2.714 -2.963 -5.874) 7.117 21.920 ( 3.385 3.947 1.355) 5.373 22.017 ( 4.621 -5.068 -0.181) 6.860 22.307 ( -3.544 3.050 -3.032) 5.573 22.382 ( -1.529 -3.902 -4.219) 5.946 23.547 ( 3.822 1.426 5.208) 6.616 23.575 ( 4.280 -0.992 5.257) 6.851 23.933 ( -2.341 0.621 1.529) 2.864 23.963 ( -1.761 -2.080 1.501) 3.111 25.395 ( 0.002 1.317 7.208) 7.327 25.419 ( 0.316 1.264 9.461) 9.551 25.523 ( -0.930 0.946 4.344) 4.542 25.649 ( -2.386 -8.484 4.859) 10.064 26.135 ( 3.367 4.982 -2.216) 6.408 26.184 ( 3.051 1.058 -4.168) 5.273 26.564 ( -2.905 2.163 -1.200) 3.815 26.633 ( -3.753 -3.713 -2.862) 6.005 ======================= Grid point 170 (63/96) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.605 13.274 1.916) 14.950 1.645 ( 4.429 11.187 0.567) 12.045 1.943 ( 0.373 1.795 -0.397) 1.876 2.051 ( -0.339 -4.380 4.723) 6.451 2.421 ( -5.135 5.381 5.558) 9.285 2.555 ( -5.113 -1.960 9.560) 11.018 2.702 ( -10.740 -3.849 9.343) 14.746 2.815 ( -13.360 -9.290 11.677) 20.028 3.127 ( 6.969 -0.817 0.525) 7.037 3.175 ( 5.892 -3.544 2.965) 7.488 3.303 ( -1.398 6.193 10.221) 12.032 3.460 ( -4.478 -8.181 9.293) 13.166 3.698 ( 0.935 -3.113 6.765) 7.506 3.713 ( 2.985 -0.147 -0.108) 2.991 3.756 ( -1.467 -0.020 -0.479) 1.543 3.870 ( -2.167 -6.705 -1.512) 7.207 4.644 ( 11.379 17.881 -3.230) 21.440 4.842 ( 7.026 14.758 -2.639) 16.557 4.916 ( 11.822 -3.312 0.494) 12.287 5.146 ( 17.580 -5.906 0.380) 18.549 5.170 ( 5.190 -3.502 -2.577) 6.771 5.341 ( 11.728 -8.642 -6.418) 15.919 5.483 ( -3.995 7.460 -2.938) 8.958 5.607 ( -2.962 0.166 -5.630) 6.363 5.633 ( -5.907 4.292 -2.649) 7.768 5.727 ( -6.664 3.318 0.398) 7.455 5.841 ( -8.010 -3.990 -0.773) 8.982 5.965 ( -9.347 -9.478 -2.066) 13.471 6.365 ( 0.441 8.637 -4.871) 9.926 6.462 ( 0.166 6.017 -6.485) 8.848 6.584 ( -1.130 -6.662 -5.644) 8.805 6.785 ( -5.072 -15.068 -7.350) 17.516 8.421 ( 3.721 8.836 -7.472) 12.155 8.542 ( 2.579 2.059 -4.821) 5.842 8.705 ( -4.936 -0.829 -9.484) 10.723 8.830 ( -6.832 -7.801 -7.636) 12.878 9.624 ( 4.034 3.933 2.963) 6.365 9.687 ( 4.023 -0.791 1.603) 4.402 9.774 ( -2.052 1.713 3.141) 4.124 9.857 ( -2.788 -5.086 1.587) 6.013 10.741 ( -0.968 5.570 2.154) 6.051 10.792 ( -2.575 5.417 0.551) 6.023 10.873 ( 0.754 -6.684 2.339) 7.121 10.925 ( -0.923 -6.713 0.504) 6.795 11.354 ( 5.088 2.630 -0.852) 5.790 11.405 ( 4.972 -1.768 -1.180) 5.407 11.623 ( -7.614 0.162 1.371) 7.738 11.644 ( -6.244 -1.581 1.205) 6.553 12.093 ( 4.690 5.167 6.684) 9.663 12.186 ( 3.826 -1.971 6.700) 7.963 12.266 ( -1.376 1.941 3.594) 4.310 12.356 ( -2.544 -5.347 3.842) 7.059 14.433 ( 4.351 5.514 -2.998) 7.637 14.532 ( 5.558 -3.324 -3.474) 7.349 14.642 ( -5.304 6.044 -5.278) 9.619 14.749 ( -4.847 -3.859 -4.982) 7.950 22.005 ( 5.585 4.988 -0.535) 7.508 22.123 ( 6.421 -5.958 -2.503) 9.110 22.224 ( -5.311 4.431 -2.713) 7.430 22.332 ( -3.905 -5.611 -4.482) 8.175 23.641 ( 5.971 2.299 4.927) 8.075 23.677 ( 6.250 -0.569 4.738) 7.864 23.872 ( -4.184 0.350 2.543) 4.908 23.910 ( -3.982 -2.802 2.174) 5.332 25.400 ( 0.627 2.208 6.289) 6.695 25.427 ( 0.291 2.990 6.775) 7.411 25.507 ( -0.336 -3.269 5.232) 6.178 25.592 ( -3.592 -7.726 4.961) 9.859 26.218 ( 5.296 6.033 -1.367) 8.143 26.258 ( 4.544 3.487 -3.089) 6.508 26.493 ( -4.368 -0.464 -0.672) 4.444 26.542 ( -5.717 -3.866 -2.088) 7.210 ======================= Grid point 171 (64/96) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -1.867 18.031 -0.546) 18.136 1.677 ( 1.867 18.031 -0.546) 18.136 1.997 ( -4.963 -10.428 -1.132) 11.604 1.997 ( 4.963 -10.428 -1.132) 11.604 2.425 ( -6.020 9.062 12.485) 16.560 2.425 ( 6.020 9.062 12.485) 16.560 2.651 ( -4.092 -11.525 9.973) 15.780 2.651 ( 4.092 -11.525 9.973) 15.780 3.213 ( -2.501 3.765 6.215) 7.685 3.213 ( 2.501 3.765 6.215) 7.685 3.352 ( -6.385 -6.868 3.024) 9.853 3.352 ( 6.385 -6.868 3.024) 9.853 3.708 ( -1.258 1.414 2.323) 2.997 3.708 ( 1.258 1.414 2.323) 2.997 3.808 ( -4.250 -6.532 -1.418) 7.920 3.808 ( 4.250 -6.532 -1.418) 7.920 4.834 ( -7.165 18.065 -2.640) 19.613 4.834 ( 7.165 18.065 -2.640) 19.613 5.119 ( -8.964 -5.936 0.287) 10.755 5.119 ( 8.964 -5.936 0.287) 10.755 5.419 ( -9.124 7.021 -7.827) 13.921 5.419 ( 9.124 7.021 -7.827) 13.921 5.517 ( -5.391 -4.208 -4.760) 8.332 5.517 ( 5.391 -4.208 -4.760) 8.332 5.634 ( -8.341 2.516 4.892) 9.992 5.634 ( 8.341 2.516 4.892) 9.992 5.774 ( -8.556 -8.885 -1.754) 12.458 5.774 ( 8.556 -8.885 -1.754) 12.458 6.408 ( -3.993 8.711 -5.172) 10.889 6.408 ( 3.993 8.711 -5.172) 10.889 6.660 ( -7.356 -13.718 -4.589) 16.228 6.660 ( 7.356 -13.718 -4.589) 16.228 8.512 ( -5.352 9.909 -9.734) 14.886 8.512 ( 5.352 9.909 -9.734) 14.886 8.710 ( -5.304 -8.826 -6.958) 12.427 8.710 ( 5.304 -8.826 -6.958) 12.427 9.693 ( -3.144 4.584 1.971) 5.898 9.693 ( 3.144 4.584 1.971) 5.898 9.793 ( -3.769 -4.842 3.250) 6.943 9.793 ( 3.769 -4.842 3.250) 6.943 10.749 ( -1.708 6.388 1.525) 6.786 10.749 ( 1.708 6.388 1.525) 6.786 10.897 ( -1.683 -7.323 1.572) 7.677 10.897 ( 1.683 -7.323 1.572) 7.677 11.457 ( -4.348 3.586 -1.249) 5.773 11.457 ( 4.348 3.586 -1.249) 5.773 11.537 ( -3.563 -3.945 0.438) 5.334 11.537 ( 3.563 -3.945 0.438) 5.334 12.181 ( -4.174 5.142 6.089) 8.997 12.181 ( 4.174 5.142 6.089) 8.997 12.292 ( -3.987 -5.311 5.012) 8.320 12.292 ( 3.987 -5.311 5.012) 8.320 14.528 ( -5.568 6.869 -4.335) 9.848 14.528 ( 5.568 6.869 -4.335) 9.848 14.649 ( -5.725 -4.516 -3.774) 8.211 14.649 ( 5.725 -4.516 -3.774) 8.211 22.114 ( -6.088 5.353 -2.225) 8.406 22.114 ( 6.088 5.353 -2.225) 8.406 22.241 ( -5.817 -6.454 -3.859) 9.507 22.241 ( 5.817 -6.454 -3.859) 9.507 23.742 ( -3.153 3.817 4.364) 6.599 23.742 ( 3.153 3.817 4.364) 6.599 23.829 ( -3.236 -4.104 3.013) 6.033 23.829 ( 3.236 -4.104 3.013) 6.033 25.418 ( -1.097 3.712 5.429) 6.667 25.418 ( 1.097 3.712 5.429) 6.667 25.530 ( -2.743 -6.833 5.606) 9.254 25.530 ( 2.743 -6.833 5.606) 9.254 26.301 ( -2.008 8.416 -1.792) 8.836 26.301 ( 2.008 8.416 -1.792) 8.836 26.453 ( -2.190 -5.641 -1.075) 6.145 26.453 ( 2.190 -5.641 -1.075) 6.145 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 0.000 3.150) 3.150 0.637 ( 0.000 0.000 0.046) 0.046 1.968 ( 0.000 0.000 25.560) 25.560 2.147 ( 0.000 0.000 19.236) 19.236 2.677 ( 0.000 0.000 -7.832) 7.832 2.934 ( 0.000 0.000 -5.483) 5.483 3.180 ( 0.000 0.000 11.117) 11.117 3.198 ( 0.000 0.000 4.980) 4.980 3.205 ( 0.000 0.000 -2.930) 2.930 3.351 ( 0.000 0.000 5.733) 5.733 3.384 ( 0.000 0.000 3.097) 3.097 3.461 ( 0.000 0.000 12.346) 12.346 3.748 ( 0.000 0.000 -4.923) 4.923 3.808 ( 0.000 0.000 -6.669) 6.669 4.180 ( 0.000 0.000 -0.420) 0.420 4.236 ( 0.000 0.000 -1.029) 1.029 4.433 ( 0.000 0.000 12.597) 12.597 4.701 ( 0.000 0.000 -2.556) 2.556 4.746 ( 0.000 0.000 -1.415) 1.415 4.754 ( 0.000 0.000 -2.650) 2.650 4.907 ( 0.000 0.000 -4.565) 4.565 4.956 ( 0.000 0.000 -7.077) 7.077 5.333 ( 0.000 0.000 -2.028) 2.028 5.359 ( 0.000 0.000 -2.550) 2.550 5.691 ( 0.000 0.000 -3.199) 3.199 5.842 ( 0.000 0.000 -8.000) 8.000 5.842 ( 0.000 0.000 -0.190) 0.190 5.884 ( 0.000 0.000 -1.406) 1.406 6.311 ( 0.000 0.000 2.803) 2.803 6.341 ( 0.000 0.000 -2.358) 2.358 7.074 ( 0.000 0.000 -2.324) 2.324 7.289 ( 0.000 0.000 -9.057) 9.057 7.808 ( 0.000 0.000 -2.576) 2.576 7.871 ( 0.000 0.000 -7.735) 7.735 9.083 ( 0.000 0.000 0.828) 0.828 9.189 ( 0.000 0.000 -1.716) 1.716 9.385 ( 0.000 0.000 2.702) 2.702 9.536 ( 0.000 0.000 -3.686) 3.686 9.820 ( 0.000 0.000 10.678) 10.678 10.118 ( 0.000 0.000 -3.531) 3.531 10.881 ( 0.000 0.000 0.575) 0.575 10.919 ( 0.000 0.000 -1.390) 1.390 11.055 ( 0.000 0.000 1.285) 1.285 11.132 ( 0.000 0.000 -1.915) 1.915 11.153 ( 0.000 0.000 -0.162) 0.162 11.263 ( 0.000 0.000 -5.619) 5.619 11.785 ( 0.000 0.000 6.235) 6.235 11.926 ( 0.000 0.000 3.156) 3.156 11.935 ( 0.000 0.000 3.480) 3.480 11.949 ( 0.000 0.000 -1.551) 1.551 12.352 ( 0.000 0.000 9.442) 9.442 12.797 ( 0.000 0.000 -10.766) 10.766 14.178 ( 0.000 0.000 5.796) 5.796 14.333 ( 0.000 0.000 -2.138) 2.138 14.527 ( 0.000 0.000 6.981) 6.981 14.806 ( 0.000 0.000 -6.036) 6.036 21.929 ( 0.000 0.000 7.254) 7.254 22.163 ( 0.000 0.000 -1.516) 1.516 22.282 ( 0.000 0.000 -1.073) 1.073 22.378 ( 0.000 0.000 -6.877) 6.877 23.579 ( 0.000 0.000 4.422) 4.422 23.653 ( 0.000 0.000 1.961) 1.961 23.958 ( 0.000 0.000 0.051) 0.051 24.020 ( 0.000 0.000 -2.921) 2.921 25.393 ( 0.000 0.000 5.957) 5.957 25.478 ( 0.000 0.000 1.284) 1.284 25.695 ( 0.000 0.000 0.893) 0.893 25.788 ( 0.000 0.000 -3.327) 3.327 25.990 ( 0.000 0.000 2.512) 2.512 26.110 ( 0.000 0.000 -3.332) 3.332 26.607 ( 0.000 0.000 4.869) 4.869 26.742 ( 0.000 0.000 -1.871) 1.871 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.281 0.000 2.900) 2.914 0.630 ( -0.658 0.000 0.224) 0.696 1.891 ( -5.813 0.000 22.141) 22.892 2.197 ( 5.304 0.000 18.285) 19.038 2.683 ( -0.353 0.000 -5.380) 5.391 2.749 ( -18.364 0.000 -12.893) 22.438 3.174 ( 1.366 0.000 8.624) 8.731 3.200 ( 3.090 0.000 8.869) 9.392 3.265 ( 4.408 0.000 -1.039) 4.529 3.415 ( 5.052 0.000 9.049) 10.364 3.433 ( 4.980 0.000 2.476) 5.561 3.579 ( 8.426 0.000 7.361) 11.188 3.712 ( -3.625 0.000 -4.495) 5.775 3.809 ( -0.291 0.000 -5.520) 5.528 4.195 ( 1.550 0.000 -0.512) 1.633 4.241 ( 0.720 0.000 -0.795) 1.073 4.298 ( -10.568 0.000 8.263) 13.415 4.535 ( -11.002 0.000 0.583) 11.017 4.759 ( 3.245 0.000 2.268) 3.959 4.795 ( -9.293 0.000 -4.066) 10.143 4.899 ( -6.768 0.000 -8.267) 10.684 4.969 ( 11.046 0.000 -4.575) 11.956 5.251 ( -1.890 0.000 3.615) 4.079 5.428 ( 3.138 0.000 -4.867) 5.791 5.776 ( 8.387 0.000 -2.253) 8.685 5.838 ( 0.138 0.000 1.878) 1.883 5.932 ( 8.150 0.000 -7.746) 11.243 5.934 ( 2.379 0.000 -2.740) 3.629 6.255 ( -3.356 0.000 1.981) 3.897 6.431 ( 5.315 0.000 -4.686) 7.085 7.077 ( 1.692 0.000 -0.318) 1.722 7.314 ( 2.699 0.000 -8.303) 8.731 7.726 ( -6.593 0.000 -3.701) 7.561 7.853 ( -3.379 0.000 -9.525) 10.107 9.102 ( 2.124 0.000 2.012) 2.925 9.208 ( 1.624 0.000 -1.056) 1.937 9.357 ( -2.525 0.000 1.838) 3.123 9.498 ( -4.074 0.000 -4.254) 5.890 9.879 ( 5.942 0.000 10.212) 11.815 10.142 ( 2.211 0.000 -2.503) 3.340 10.749 ( -10.869 0.000 0.895) 10.906 10.783 ( -8.529 0.000 -0.740) 8.561 11.146 ( -0.574 0.000 -0.394) 0.696 11.191 ( 7.831 0.000 -0.037) 7.831 11.207 ( 5.827 0.000 -0.836) 5.887 11.245 ( -1.865 0.000 -5.265) 5.585 11.808 ( 2.390 0.000 5.991) 6.450 11.925 ( 0.250 0.000 3.812) 3.821 11.953 ( 1.328 0.000 2.945) 3.230 11.957 ( 0.599 0.000 -1.047) 1.206 12.359 ( 1.058 0.000 7.805) 7.876 12.754 ( -4.509 0.000 -9.738) 10.732 14.156 ( -1.931 0.000 5.118) 5.470 14.281 ( -4.365 0.000 -0.762) 4.431 14.588 ( 5.174 0.000 4.833) 7.080 14.805 ( -0.142 0.000 -5.016) 5.018 21.912 ( -1.176 0.000 6.092) 6.204 22.152 ( -4.124 0.000 -4.605) 6.182 22.258 ( 2.219 0.000 1.850) 2.889 22.429 ( 2.981 0.000 -6.888) 7.506 23.607 ( 2.818 0.000 4.450) 5.267 23.676 ( 2.318 0.000 2.279) 3.251 23.946 ( -1.241 0.000 -0.176) 1.253 24.007 ( -1.301 0.000 -2.932) 3.208 25.415 ( 2.215 0.000 5.918) 6.319 25.493 ( 1.393 0.000 1.636) 2.148 25.701 ( 0.602 0.000 0.755) 0.966 25.781 ( -0.752 0.000 -2.746) 2.847 25.999 ( 0.935 0.000 1.822) 2.048 26.103 ( -0.816 0.000 -3.086) 3.192 26.595 ( -1.251 0.000 4.548) 4.717 26.708 ( -3.377 0.000 -1.083) 3.547 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.695 0.000 2.242) 2.347 0.614 ( -1.014 0.000 0.720) 1.244 1.853 ( 3.399 0.000 12.118) 12.585 2.330 ( 8.647 0.000 15.256) 17.536 2.370 ( -20.918 0.000 -9.430) 22.945 2.630 ( -5.484 0.000 2.340) 5.962 3.224 ( 3.780 0.000 6.401) 7.433 3.307 ( 8.004 0.000 2.404) 8.357 3.360 ( 3.963 0.000 0.294) 3.974 3.442 ( 0.130 0.000 1.633) 1.638 3.540 ( 4.414 0.000 -1.829) 4.778 3.631 ( -3.364 0.000 -0.383) 3.385 3.688 ( -0.145 0.000 -1.073) 1.083 3.784 ( -2.694 0.000 -3.542) 4.450 4.155 ( -2.031 0.000 10.851) 11.040 4.227 ( 1.923 0.000 0.227) 1.936 4.268 ( 1.768 0.000 0.361) 1.804 4.361 ( -8.167 0.000 5.173) 9.667 4.634 ( -6.586 0.000 -5.624) 8.660 4.742 ( -9.119 0.000 -8.784) 12.662 4.826 ( 5.067 0.000 7.734) 9.246 5.043 ( -2.999 0.000 2.820) 4.117 5.355 ( 11.750 0.000 -0.183) 11.751 5.517 ( 6.955 0.000 -5.390) 8.799 5.828 ( -1.878 0.000 3.693) 4.143 5.889 ( -7.836 0.000 1.064) 7.908 5.953 ( 9.626 0.000 -1.566) 9.752 6.071 ( 5.257 0.000 -5.698) 7.752 6.225 ( 1.634 0.000 -3.055) 3.464 6.446 ( -4.540 0.000 -10.165) 11.133 7.184 ( 9.364 0.000 2.441) 9.677 7.368 ( 1.943 0.000 -4.654) 5.044 7.624 ( -3.339 0.000 -7.164) 7.904 7.748 ( -7.186 0.000 -12.121) 14.091 9.156 ( 3.380 0.000 3.281) 4.710 9.229 ( 0.227 0.000 0.799) 0.831 9.314 ( -1.525 0.000 -0.698) 1.677 9.403 ( -5.540 0.000 -4.430) 7.093 10.010 ( 7.591 0.000 8.171) 11.153 10.173 ( 0.296 0.000 0.438) 0.529 10.586 ( -5.999 0.000 1.134) 6.105 10.633 ( -7.080 0.000 -0.975) 7.147 11.141 ( 0.268 0.000 -1.239) 1.267 11.202 ( -2.575 0.000 -4.168) 4.899 11.292 ( 3.636 0.000 0.357) 3.654 11.302 ( 3.504 0.000 -0.155) 3.507 11.866 ( 3.554 0.000 4.915) 6.066 11.937 ( 1.004 0.000 4.293) 4.408 11.959 ( -0.703 0.000 0.582) 0.912 11.969 ( 0.146 0.000 3.495) 3.498 12.405 ( 4.166 0.000 2.947) 5.103 12.643 ( -7.090 0.000 -6.967) 9.940 14.128 ( -0.701 0.000 3.389) 3.461 14.200 ( -4.120 0.000 0.148) 4.122 14.683 ( 4.787 0.000 2.395) 5.352 14.794 ( -1.216 0.000 -2.689) 2.951 21.908 ( 1.028 0.000 3.589) 3.733 22.047 ( -5.946 0.000 -2.186) 6.335 22.339 ( 5.044 0.000 -1.045) 5.151 22.455 ( -0.279 0.000 -6.303) 6.310 23.669 ( 3.641 0.000 4.459) 5.757 23.723 ( 2.067 0.000 3.122) 3.745 23.922 ( -0.873 0.000 -1.040) 1.358 23.974 ( -2.234 0.000 -2.851) 3.622 25.466 ( 3.024 0.000 5.483) 6.261 25.517 ( 0.804 0.000 2.729) 2.845 25.716 ( 1.069 0.000 0.323) 1.116 25.762 ( -1.201 0.000 -1.548) 1.959 26.022 ( 1.529 0.000 0.327) 1.564 26.082 ( -1.428 0.000 -2.356) 2.755 26.572 ( -0.805 0.000 3.658) 3.746 26.635 ( -4.041 0.000 0.640) 4.091 ======================= Grid point 199 (68/96) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -0.993 0.000 1.436) 1.746 0.595 ( 0.993 0.000 1.436) 1.746 2.029 ( -15.087 0.000 -0.321) 15.091 2.029 ( 15.087 0.000 -0.321) 15.091 2.495 ( -8.737 0.000 9.933) 13.229 2.495 ( 8.737 0.000 9.933) 13.229 3.310 ( -5.285 0.000 5.835) 7.873 3.310 ( 5.285 0.000 5.835) 7.873 3.463 ( -8.151 0.000 -2.516) 8.530 3.463 ( 8.151 0.000 -2.516) 8.530 3.567 ( -9.704 0.000 -7.323) 12.157 3.567 ( 9.704 0.000 -7.323) 12.157 3.703 ( -6.044 0.000 -0.426) 6.059 3.703 ( 6.044 0.000 -0.426) 6.059 4.223 ( -6.800 0.000 10.455) 12.472 4.223 ( 6.800 0.000 10.455) 12.472 4.268 ( -1.963 0.000 1.692) 2.592 4.268 ( 1.963 0.000 1.692) 2.592 4.608 ( -4.078 0.000 -8.480) 9.410 4.608 ( 4.078 0.000 -8.480) 9.410 4.943 ( -6.770 0.000 8.258) 10.678 4.943 ( 6.770 0.000 8.258) 10.678 5.565 ( -7.611 0.000 -3.683) 8.455 5.565 ( 7.611 0.000 -3.683) 8.455 5.774 ( -1.329 0.000 4.310) 4.510 5.774 ( 1.329 0.000 4.310) 4.510 6.086 ( -3.819 0.000 -2.666) 4.657 6.086 ( 3.819 0.000 -2.666) 4.657 6.317 ( -7.436 0.000 -9.279) 11.891 6.317 ( 7.436 0.000 -9.279) 11.891 7.340 ( -5.629 0.000 0.251) 5.635 7.340 ( 5.629 0.000 0.251) 5.635 7.632 ( -4.218 0.000 -11.348) 12.107 7.632 ( 4.218 0.000 -11.348) 12.107 9.210 ( -2.209 0.000 2.713) 3.499 9.210 ( 2.209 0.000 2.713) 3.499 9.322 ( -2.623 0.000 -3.355) 4.258 9.322 ( 2.623 0.000 -3.355) 4.258 10.131 ( -4.882 0.000 4.731) 6.798 10.131 ( 4.882 0.000 4.731) 6.798 10.547 ( -1.711 0.000 -0.178) 1.721 10.547 ( 1.711 0.000 -0.178) 1.721 11.160 ( -1.774 0.000 -2.647) 3.187 11.160 ( 1.774 0.000 -2.647) 3.187 11.329 ( -0.380 0.000 0.374) 0.533 11.329 ( 0.380 0.000 0.374) 0.533 11.926 ( -2.739 0.000 2.904) 3.992 11.926 ( 2.739 0.000 2.904) 3.992 11.958 ( -1.126 0.000 4.322) 4.466 11.958 ( 1.126 0.000 4.322) 4.466 12.510 ( -6.944 0.000 -2.709) 7.454 12.510 ( 6.944 0.000 -2.709) 7.454 14.140 ( -2.109 0.000 1.450) 2.559 14.140 ( 2.109 0.000 1.450) 2.559 14.756 ( -3.024 0.000 -0.080) 3.025 14.756 ( 3.024 0.000 -0.080) 3.025 21.954 ( -3.942 0.000 0.655) 3.996 21.954 ( 3.942 0.000 0.655) 3.996 22.420 ( -3.416 0.000 -4.162) 5.385 22.420 ( 3.416 0.000 -4.162) 5.385 23.725 ( -1.914 0.000 4.188) 4.605 23.725 ( 1.914 0.000 4.188) 4.605 23.932 ( -1.913 0.000 -2.357) 3.036 23.932 ( 1.913 0.000 -2.357) 3.036 25.511 ( -1.524 0.000 4.283) 4.546 25.511 ( 1.524 0.000 4.283) 4.546 25.739 ( -1.292 0.000 -0.444) 1.366 25.739 ( 1.292 0.000 -0.444) 1.366 26.052 ( -1.689 0.000 -1.183) 2.062 26.052 ( 1.689 0.000 -1.183) 2.062 26.579 ( -1.744 0.000 2.328) 2.909 26.579 ( 1.744 0.000 2.328) 2.909 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 15.942 1.403) 16.004 0.833 ( 0.000 20.121 0.951) 20.144 2.001 ( 0.000 2.912 22.465) 22.653 2.145 ( 0.000 -0.245 19.456) 19.458 2.716 ( 0.000 2.903 -8.880) 9.343 2.879 ( 0.000 -4.925 -10.439) 11.542 3.130 ( 0.000 -3.199 2.005) 3.775 3.154 ( 0.000 -4.846 2.394) 5.405 3.303 ( 0.000 7.677 7.762) 10.917 3.306 ( 0.000 -3.240 9.669) 10.197 3.378 ( 0.000 2.495 6.642) 7.095 3.554 ( 0.000 5.703 9.898) 11.423 3.722 ( 0.000 -2.105 -2.894) 3.579 3.880 ( 0.000 6.296 -7.255) 9.606 4.076 ( 0.000 -10.208 2.048) 10.411 4.179 ( 0.000 -4.468 -1.985) 4.889 4.268 ( 0.000 -10.481 9.672) 14.261 4.572 ( 0.000 -9.810 -2.973) 10.251 4.743 ( 0.000 1.727 -3.491) 3.895 4.787 ( 0.000 4.078 -1.913) 4.505 5.020 ( 0.000 4.389 -0.713) 4.446 5.052 ( 0.000 1.953 -2.371) 3.072 5.398 ( 0.000 8.252 -4.524) 9.411 5.410 ( 0.000 4.274 -6.074) 7.427 5.618 ( 0.000 -3.875 -2.150) 4.432 5.655 ( 0.000 -8.206 -3.643) 8.979 5.923 ( 0.000 2.229 0.022) 2.229 5.983 ( 0.000 4.868 -3.456) 5.970 6.305 ( 0.000 -1.137 2.979) 3.188 6.354 ( 0.000 0.905 -2.987) 3.121 6.905 ( 0.000 -12.752 -3.580) 13.245 7.148 ( 0.000 -11.402 -11.692) 16.332 7.974 ( 0.000 12.851 -2.614) 13.114 7.984 ( 0.000 8.799 -4.858) 10.051 9.012 ( 0.000 -6.160 1.258) 6.287 9.134 ( 0.000 -4.587 -2.727) 5.336 9.423 ( 0.000 3.027 2.754) 4.092 9.550 ( 0.000 1.194 -2.934) 3.168 9.838 ( 0.000 1.347 8.774) 8.876 10.080 ( 0.000 -3.297 -2.892) 4.385 10.873 ( 0.000 -0.705 0.493) 0.860 10.906 ( 0.000 -1.078 -1.252) 1.652 11.014 ( 0.000 -3.376 1.111) 3.555 11.068 ( 0.000 -4.818 -1.130) 4.949 11.176 ( 0.000 1.796 0.371) 1.834 11.287 ( 0.000 1.285 -4.624) 4.799 11.796 ( 0.000 1.065 5.664) 5.763 11.943 ( 0.000 1.215 0.121) 1.221 11.953 ( 0.000 0.738 2.458) 2.566 11.995 ( 0.000 5.083 2.439) 5.638 12.337 ( 0.000 -1.404 8.715) 8.828 12.707 ( 0.000 -7.322 -7.306) 10.343 14.269 ( 0.000 7.198 0.821) 7.245 14.330 ( 0.000 -0.209 -1.718) 1.731 14.515 ( 0.000 -0.921 6.924) 6.985 14.795 ( 0.000 -0.951 -6.193) 6.265 21.926 ( 0.000 -0.267 6.609) 6.614 22.134 ( 0.000 -2.581 -1.429) 2.950 22.277 ( 0.000 -0.352 -1.103) 1.158 22.368 ( 0.000 -0.880 -6.391) 6.451 23.579 ( 0.000 0.084 4.297) 4.298 23.646 ( 0.000 -0.610 1.981) 2.073 23.958 ( 0.000 0.028 0.244) 0.246 24.016 ( 0.000 -0.284 -2.469) 2.485 25.412 ( 0.000 1.792 5.513) 5.797 25.473 ( 0.000 -0.170 1.990) 1.997 25.727 ( 0.000 2.045 1.893) 2.786 25.848 ( 0.000 5.133 -3.965) 6.485 25.958 ( 0.000 -2.096 2.352) 3.150 26.053 ( 0.000 -5.063 -2.082) 5.474 26.604 ( 0.000 -0.397 4.041) 4.061 26.728 ( 0.000 -1.333 -2.072) 2.464 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.034 19.818 1.065) 19.847 0.836 ( 0.385 16.702 1.092) 16.742 1.927 ( -5.364 3.086 19.271) 20.240 2.206 ( 5.598 0.750 18.626) 19.464 2.642 ( -10.409 -3.295 -9.279) 14.328 2.771 ( -7.728 1.725 -7.362) 10.812 3.131 ( 0.661 -3.356 2.652) 4.328 3.198 ( 4.133 -5.967 -0.831) 7.306 3.257 ( -1.781 4.368 9.862) 10.932 3.327 ( 3.639 -4.963 4.735) 7.765 3.508 ( 7.943 3.237 5.413) 10.143 3.617 ( 1.750 1.578 5.200) 5.709 3.675 ( -1.897 -0.747 1.505) 2.534 3.894 ( 1.203 6.880 -4.776) 8.462 4.091 ( -0.194 -10.298 3.138) 10.767 4.177 ( -5.441 -6.583 5.225) 10.011 4.190 ( 1.463 -3.696 -1.253) 4.168 4.437 ( -9.905 -7.124 -1.391) 12.280 4.750 ( 0.883 2.744 0.109) 2.885 4.910 ( 5.070 3.308 -6.570) 8.934 4.958 ( -3.986 7.151 0.649) 8.213 5.093 ( 3.728 4.996 -2.584) 6.748 5.305 ( -3.446 6.074 1.189) 7.084 5.487 ( 3.020 5.905 -7.852) 10.278 5.671 ( 6.294 -7.417 -1.867) 9.905 5.713 ( 4.955 -8.203 -2.727) 9.964 5.941 ( 1.657 1.743 0.284) 2.422 6.021 ( 2.922 3.396 -4.067) 6.051 6.250 ( -4.451 -1.102 2.108) 5.047 6.419 ( 3.612 -1.297 -4.466) 5.888 6.907 ( 1.609 -12.670 -1.766) 12.893 7.165 ( 1.786 -11.644 -10.836) 16.006 7.883 ( -5.813 11.491 -2.759) 13.170 7.993 ( -2.297 11.020 -7.299) 13.416 9.014 ( 0.290 -7.312 1.802) 7.537 9.125 ( -1.206 -6.031 -2.266) 6.554 9.429 ( 0.683 4.716 2.051) 5.188 9.533 ( -1.799 2.800 -3.092) 4.543 9.881 ( 4.498 0.054 8.719) 9.811 10.100 ( 1.819 -3.706 -2.047) 4.608 10.750 ( -9.787 0.181 0.853) 9.825 10.781 ( -7.692 -0.067 -0.639) 7.719 11.115 ( 3.346 -3.296 -0.310) 4.707 11.127 ( 3.532 -4.939 -0.561) 6.098 11.201 ( 4.042 1.138 0.338) 4.213 11.290 ( 0.613 2.062 -4.130) 4.657 11.796 ( -0.051 -0.690 4.769) 4.819 11.890 ( -3.680 -2.067 0.856) 4.307 11.967 ( 1.845 2.769 4.679) 5.741 12.054 ( 3.748 5.640 0.872) 6.828 12.347 ( 1.288 -1.101 7.232) 7.428 12.675 ( -3.287 -6.361 -6.670) 9.786 14.240 ( -2.707 6.512 1.271) 7.166 14.290 ( -3.198 1.110 -0.802) 3.478 14.574 ( 4.972 -1.251 4.634) 6.911 14.793 ( -0.344 -1.147 -5.269) 5.404 21.914 ( -0.694 0.245 5.603) 5.651 22.139 ( -1.964 -1.407 -4.464) 5.076 22.245 ( 0.358 -0.960 1.768) 2.043 22.407 ( 2.204 -1.964 -6.471) 7.112 23.608 ( 2.883 0.139 4.320) 5.196 23.672 ( 2.674 -0.296 2.165) 3.453 23.945 ( -1.344 -0.053 0.170) 1.356 24.005 ( -1.215 -0.203 -2.480) 2.769 25.423 ( 1.163 1.009 5.245) 5.466 25.477 ( 0.318 -0.882 2.050) 2.254 25.744 ( 1.880 2.677 1.967) 3.817 25.853 ( 0.393 6.056 -2.944) 6.745 25.959 ( 0.112 -2.735 1.588) 3.164 26.044 ( -1.045 -5.049 -1.975) 5.521 26.593 ( -1.084 -0.317 3.721) 3.889 26.697 ( -3.091 -1.129 -1.363) 3.562 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.311 19.603 1.118) 19.637 0.843 ( 0.253 17.932 0.871) 17.955 1.888 ( 2.690 3.005 10.525) 11.272 2.312 ( -3.531 -1.644 5.492) 6.733 2.375 ( -6.259 0.847 1.295) 6.447 2.649 ( -6.938 1.706 2.513) 7.574 3.167 ( 3.376 -5.641 2.241) 6.946 3.257 ( 1.712 -3.085 6.530) 7.422 3.307 ( 6.852 -5.165 -2.304) 8.884 3.391 ( 1.866 -4.180 1.428) 4.795 3.484 ( -7.061 -5.891 -0.151) 9.197 3.593 ( -3.952 -4.178 -3.435) 6.698 3.724 ( 4.129 6.436 3.366) 8.354 3.901 ( -2.178 5.326 -4.774) 7.477 4.042 ( 0.474 -7.078 9.800) 12.098 4.178 ( 0.963 -3.756 0.988) 4.001 4.222 ( 0.307 -3.632 2.830) 4.614 4.303 ( -2.701 -0.184 -0.158) 2.712 4.750 ( -0.380 8.253 -1.684) 8.432 4.879 ( -4.313 9.999 -4.473) 11.772 4.939 ( 1.562 8.484 3.835) 9.441 5.131 ( -2.599 6.808 2.204) 7.613 5.360 ( 9.719 0.482 -0.232) 9.734 5.551 ( 4.417 3.382 -6.605) 8.636 5.770 ( 1.629 -5.760 1.987) 6.307 5.829 ( 5.069 -5.954 -2.688) 8.268 5.933 ( -1.006 -0.373 3.461) 3.624 6.072 ( 2.273 0.177 -4.255) 4.828 6.180 ( -1.156 -3.993 -2.977) 5.113 6.398 ( -6.431 -4.236 -9.631) 12.331 7.012 ( 8.995 -12.412 0.765) 15.348 7.198 ( 0.922 -11.904 -7.176) 13.930 7.802 ( -2.177 12.292 -5.094) 13.483 7.910 ( -5.845 11.859 -9.655) 16.371 9.022 ( 0.606 -9.566 1.180) 9.658 9.088 ( -2.638 -8.534 -1.678) 9.088 9.445 ( 1.010 7.059 1.035) 7.205 9.494 ( -2.038 6.109 -1.969) 6.734 9.987 ( 6.342 -2.197 7.218) 9.856 10.125 ( 0.168 -4.272 0.484) 4.302 10.606 ( -5.182 1.917 1.116) 5.637 10.647 ( -6.241 1.445 -0.764) 6.452 11.133 ( 0.320 -1.312 -0.863) 1.603 11.158 ( -0.077 -3.880 -1.353) 4.110 11.286 ( 3.697 -0.767 0.189) 3.780 11.314 ( 1.510 1.793 -1.794) 2.952 11.792 ( -0.209 -4.359 3.312) 5.478 11.831 ( -2.569 -5.711 1.762) 6.505 12.017 ( 3.389 4.616 5.425) 7.888 12.100 ( 0.738 6.350 2.514) 6.869 12.393 ( 3.922 -1.056 2.780) 4.922 12.593 ( -5.403 -4.103 -4.886) 8.361 14.196 ( -1.568 5.383 1.248) 5.744 14.232 ( -2.926 3.260 -0.428) 4.401 14.666 ( 4.650 -1.665 2.018) 5.336 14.778 ( -1.418 -1.535 -3.084) 3.726 21.918 ( 1.360 0.983 3.282) 3.686 22.056 ( -5.416 0.819 -2.503) 6.023 22.307 ( 4.602 -2.898 -0.700) 5.483 22.422 ( -0.662 -2.959 -5.916) 6.648 23.673 ( 3.857 0.398 4.317) 5.803 23.727 ( 2.491 0.436 2.821) 3.789 23.918 ( -1.060 -0.341 -0.461) 1.205 23.972 ( -2.319 -0.210 -2.374) 3.325 25.449 ( 1.518 -0.766 4.414) 4.730 25.481 ( -0.027 -2.015 2.412) 3.143 25.790 ( 2.832 4.233 2.026) 5.481 25.857 ( -0.208 7.440 -0.353) 7.451 25.965 ( 0.644 -4.046 -0.323) 4.110 26.017 ( -1.723 -4.845 -1.776) 5.440 26.573 ( -0.700 -0.222 2.880) 2.972 26.630 ( -3.682 -0.707 0.200) 3.755 ======================= Grid point 206 (72/96) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.309 19.034 1.049) 19.066 0.842 ( 0.309 19.034 1.049) 19.066 2.041 ( -13.385 1.034 -0.521) 13.435 2.041 ( 13.385 1.034 -0.521) 13.435 2.504 ( -8.628 1.141 9.822) 13.123 2.504 ( 8.628 1.141 9.822) 13.123 3.245 ( -3.946 -6.570 3.415) 8.390 3.245 ( 3.946 -6.570 3.415) 8.390 3.401 ( -1.283 -4.741 1.579) 5.159 3.401 ( 1.283 -4.741 1.579) 5.159 3.457 ( -8.876 -6.357 -5.310) 12.141 3.457 ( 8.876 -6.357 -5.310) 12.141 3.819 ( -5.578 5.523 -2.862) 8.355 3.819 ( 5.578 5.523 -2.862) 8.355 4.110 ( -5.214 -6.626 5.974) 10.333 4.110 ( 5.214 -6.626 5.974) 10.333 4.269 ( -3.333 1.962 2.374) 4.538 4.269 ( 3.333 1.962 2.374) 4.538 4.784 ( -4.475 12.315 -5.290) 14.131 4.784 ( 4.475 12.315 -5.290) 14.131 5.035 ( -6.702 7.511 7.306) 12.438 5.035 ( 6.702 7.511 7.306) 12.438 5.552 ( -7.874 -1.313 -3.766) 8.826 5.552 ( 7.874 -1.313 -3.766) 8.826 5.775 ( -1.918 0.032 4.474) 4.868 5.775 ( 1.918 0.032 4.474) 4.868 6.046 ( -6.051 -3.985 -1.868) 7.482 6.046 ( 6.051 -3.985 -1.868) 7.482 6.245 ( -7.711 -5.566 -9.831) 13.678 6.245 ( 7.711 -5.566 -9.831) 13.678 7.161 ( -5.568 -12.190 -2.211) 13.583 7.161 ( 5.568 -12.190 -2.211) 13.583 7.816 ( -3.535 12.437 -8.375) 15.406 7.816 ( 3.535 12.437 -8.375) 15.406 9.043 ( -1.882 -10.139 -0.774) 10.341 9.043 ( 1.882 -10.139 -0.774) 10.341 9.465 ( -1.183 7.813 -0.110) 7.902 9.465 ( 1.183 7.813 -0.110) 7.902 10.089 ( -4.139 -3.821 4.176) 7.012 10.089 ( 4.139 -3.821 4.176) 7.012 10.572 ( -1.460 2.404 0.056) 2.813 10.572 ( 1.460 2.404 0.056) 2.813 11.145 ( -0.917 -1.931 -1.554) 2.643 11.145 ( 0.917 -1.931 -1.554) 2.643 11.325 ( -0.603 0.178 -0.109) 0.638 11.325 ( 0.603 0.178 -0.109) 0.638 11.798 ( -0.996 -6.655 2.342) 7.125 11.798 ( 0.996 -6.655 2.342) 7.125 12.078 ( -2.778 5.888 4.784) 8.079 12.078 ( 2.778 5.888 4.784) 8.079 12.487 ( -5.844 -1.992 -1.916) 6.465 12.487 ( 5.844 -1.992 -1.916) 6.465 14.192 ( -1.143 4.549 0.357) 4.704 14.192 ( 1.143 4.549 0.357) 4.704 14.737 ( -3.068 -1.773 -0.520) 3.581 14.737 ( 3.068 -1.773 -0.520) 3.581 21.967 ( -3.923 1.266 0.423) 4.144 21.967 ( 3.923 1.266 0.423) 4.144 22.384 ( -3.396 -3.276 -3.859) 6.096 22.384 ( 3.396 -3.276 -3.859) 6.096 23.733 ( -2.045 0.776 4.000) 4.559 23.733 ( 2.045 0.776 4.000) 4.559 23.927 ( -2.070 -0.469 -1.841) 2.810 23.927 ( 2.070 -0.469 -1.841) 2.810 25.473 ( -0.903 -2.099 3.282) 3.999 25.473 ( 0.903 -2.099 3.282) 3.999 25.837 ( -1.979 6.366 1.586) 6.852 25.837 ( 1.979 6.366 1.586) 6.852 25.985 ( -1.571 -4.516 -1.546) 5.025 25.985 ( 1.571 -4.516 -1.546) 5.025 26.579 ( -1.563 -0.353 1.705) 2.340 26.579 ( 1.563 -0.353 1.705) 2.340 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 18.641 3.259) 18.924 1.276 ( 0.000 19.696 -0.325) 19.698 2.078 ( 0.000 3.856 14.105) 14.623 2.138 ( 0.000 -0.256 18.205) 18.207 2.751 ( 0.000 -6.383 -13.213) 14.674 2.757 ( 0.000 0.506 -8.438) 8.453 2.982 ( 0.000 -10.281 0.773) 10.310 3.042 ( 0.000 -5.184 -0.577) 5.216 3.299 ( 0.000 1.854 12.465) 12.602 3.451 ( 0.000 4.067 5.566) 6.893 3.497 ( 0.000 8.759 5.860) 10.539 3.643 ( 0.000 0.462 3.574) 3.603 3.707 ( 0.000 2.720 6.423) 6.976 3.794 ( 0.000 -13.048 9.876) 16.364 4.053 ( 0.000 7.167 -2.721) 7.666 4.099 ( 0.000 -1.906 -1.158) 2.230 4.102 ( 0.000 -2.646 4.998) 5.655 4.384 ( 0.000 -6.945 -2.118) 7.261 4.759 ( 0.000 -1.322 -2.032) 2.424 4.844 ( 0.000 -1.865 -3.750) 4.188 4.981 ( 0.000 -5.215 -0.476) 5.236 5.023 ( 0.000 -3.646 -4.758) 5.994 5.470 ( 0.000 1.997 0.006) 1.997 5.536 ( 0.000 -0.966 -0.200) 0.986 5.657 ( 0.000 6.839 -5.739) 8.928 5.675 ( 0.000 14.506 -9.535) 17.359 5.960 ( 0.000 1.486 1.965) 2.464 6.056 ( 0.000 2.240 -2.767) 3.560 6.223 ( 0.000 -7.400 4.226) 8.522 6.360 ( 0.000 -0.688 -4.339) 4.393 6.644 ( 0.000 -10.013 -6.323) 11.842 6.862 ( 0.000 -14.754 -14.225) 20.495 8.190 ( 0.000 10.096 -0.817) 10.129 8.270 ( 0.000 13.938 -2.941) 14.245 8.850 ( 0.000 -8.489 1.371) 8.599 9.010 ( 0.000 -7.041 -4.794) 8.519 9.498 ( 0.000 3.869 2.568) 4.644 9.582 ( 0.000 1.687 -1.475) 2.241 9.859 ( 0.000 0.392 5.320) 5.335 9.993 ( 0.000 -4.489 -1.437) 4.713 10.857 ( 0.000 -0.670 0.240) 0.711 10.879 ( 0.000 -1.295 -0.934) 1.596 10.934 ( 0.000 -3.622 1.020) 3.763 10.963 ( 0.000 -4.627 -0.053) 4.627 11.218 ( 0.000 1.997 0.820) 2.159 11.300 ( 0.000 -0.090 -2.562) 2.564 11.829 ( 0.000 1.950 4.843) 5.221 11.939 ( 0.000 -0.870 0.703) 1.119 12.015 ( 0.000 4.256 4.067) 5.887 12.124 ( 0.000 6.486 0.474) 6.503 12.293 ( 0.000 -2.769 7.185) 7.700 12.539 ( 0.000 -7.735 -3.001) 8.297 14.329 ( 0.000 0.192 -0.820) 0.842 14.395 ( 0.000 2.119 -3.441) 4.041 14.523 ( 0.000 3.335 3.639) 4.936 14.765 ( 0.000 -1.923 -6.494) 6.773 21.923 ( 0.000 0.157 4.881) 4.883 22.064 ( 0.000 -3.730 -0.839) 3.823 22.273 ( 0.000 0.111 -1.428) 1.432 22.343 ( 0.000 -1.437 -5.195) 5.390 23.584 ( 0.000 0.387 3.805) 3.825 23.630 ( 0.000 -0.875 2.047) 2.226 23.962 ( 0.000 0.384 0.678) 0.779 24.008 ( 0.000 -0.552 -1.231) 1.349 25.473 ( 0.000 3.999 4.381) 5.932 25.482 ( 0.000 1.133 3.399) 3.582 25.713 ( 0.000 -3.831 5.418) 6.636 25.903 ( 0.000 -7.031 -2.329) 7.407 25.969 ( 0.000 3.615 -0.198) 3.621 25.984 ( 0.000 5.212 -2.098) 5.618 26.590 ( 0.000 -0.759 2.441) 2.556 26.685 ( 0.000 -2.620 -2.174) 3.405 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 1.219 18.810 2.474) 19.011 1.275 ( -0.068 19.929 -0.236) 19.930 1.997 ( -4.945 2.740 12.066) 13.325 2.222 ( 5.700 0.240 16.442) 17.404 2.559 ( -11.598 -3.675 -9.206) 15.257 2.818 ( -2.907 2.246 -4.297) 5.653 2.992 ( 2.323 -10.043 -0.972) 10.354 3.078 ( 1.263 -4.153 -2.712) 5.118 3.204 ( -2.092 -4.167 10.632) 11.609 3.394 ( -7.330 5.858 6.017) 11.147 3.515 ( -8.180 -5.229 3.872) 10.452 3.572 ( 2.854 0.783 0.274) 2.972 3.752 ( 3.193 2.687 8.118) 9.128 3.860 ( 2.261 -8.331 2.769) 9.065 3.996 ( -5.536 -2.864 6.107) 8.726 4.107 ( 0.199 -1.750 -0.101) 1.764 4.150 ( 5.629 5.314 1.038) 7.811 4.356 ( 1.751 2.995 -3.035) 4.609 4.808 ( 4.368 1.249 0.566) 4.578 4.974 ( 7.970 1.200 -5.418) 9.711 5.004 ( 5.651 -3.544 -0.142) 6.672 5.114 ( 7.617 -2.656 -4.498) 9.237 5.484 ( -3.927 7.706 -0.698) 8.677 5.508 ( 1.140 -2.539 0.394) 2.811 5.588 ( 0.136 -0.600 -2.734) 2.803 5.696 ( -1.739 8.887 -8.061) 12.124 5.997 ( 3.460 4.593 0.297) 5.758 6.067 ( 0.533 0.845 -2.749) 2.925 6.173 ( -5.615 -6.621 3.485) 9.355 6.373 ( -0.093 -2.882 -4.692) 5.507 6.643 ( 1.254 -10.700 -4.393) 11.635 6.883 ( 2.327 -14.141 -12.852) 19.250 8.133 ( -4.555 11.532 -0.986) 12.439 8.257 ( -2.402 12.947 -5.503) 14.271 8.830 ( -1.754 -9.391 1.357) 9.649 8.977 ( -3.440 -7.890 -4.581) 9.750 9.527 ( 2.710 4.386 2.383) 5.679 9.597 ( 1.340 2.914 -1.410) 3.504 9.873 ( 1.661 -0.839 5.624) 5.923 10.002 ( 0.735 -5.128 -0.966) 5.270 10.764 ( -6.732 1.333 0.821) 6.912 10.789 ( -5.269 1.036 -0.438) 5.387 11.010 ( 3.061 -5.556 0.701) 6.382 11.024 ( 4.001 -5.132 -0.282) 6.513 11.237 ( 2.284 2.026 0.790) 3.154 11.318 ( 1.861 0.458 -2.656) 3.275 11.790 ( -3.790 0.145 3.467) 5.138 11.851 ( -7.494 -1.617 0.937) 7.723 12.044 ( 3.127 4.375 5.515) 7.703 12.179 ( 3.873 5.746 0.055) 6.930 12.312 ( 1.861 -2.286 6.405) 7.050 12.530 ( -0.993 -6.611 -2.480) 7.131 14.308 ( -1.427 1.692 0.105) 2.216 14.390 ( -1.038 4.849 -4.501) 6.697 14.550 ( 2.839 -0.021 3.352) 4.393 14.757 ( -0.947 -2.286 -5.808) 6.313 21.925 ( 0.543 0.908 4.213) 4.343 22.088 ( 1.844 -3.228 -2.693) 4.591 22.234 ( -2.802 0.186 0.193) 2.815 22.354 ( 0.314 -2.779 -5.364) 6.049 23.615 ( 3.180 0.575 3.841) 5.020 23.664 ( 3.502 -0.501 1.996) 4.062 23.947 ( -1.570 0.320 0.858) 1.818 23.997 ( -1.187 -0.584 -1.231) 1.807 25.466 ( -0.608 2.792 3.778) 4.737 25.475 ( -0.669 1.235 3.294) 3.581 25.722 ( 0.869 -4.885 5.146) 7.148 25.877 ( -2.381 -7.376 -0.924) 7.806 25.994 ( 2.417 5.667 -1.141) 6.265 26.010 ( 2.455 5.609 -1.584) 6.324 26.577 ( -1.350 -1.112 2.242) 2.844 26.657 ( -2.845 -2.604 -1.644) 4.192 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.363 19.285 1.099) 19.364 1.275 ( -0.008 20.201 0.068) 20.201 1.952 ( 1.098 1.850 5.741) 6.131 2.247 ( -8.306 -5.202 -2.500) 10.114 2.427 ( 3.031 4.374 9.561) 10.942 2.706 ( -7.756 3.751 4.729) 9.828 3.007 ( 0.232 -9.206 2.782) 9.620 3.106 ( 0.492 -7.665 -0.457) 7.694 3.241 ( 3.223 -6.427 2.393) 7.578 3.275 ( -3.250 -2.791 3.670) 5.641 3.382 ( -4.651 -1.944 2.935) 5.833 3.525 ( -7.780 -2.731 -6.250) 10.346 3.790 ( 1.531 -0.466 3.723) 4.052 3.866 ( -0.957 -5.708 -1.325) 5.938 3.938 ( -0.131 -4.783 6.307) 7.917 4.057 ( -4.288 -6.859 2.580) 8.490 4.295 ( 9.333 11.677 2.964) 15.239 4.461 ( 5.167 13.355 -2.115) 14.475 4.917 ( 7.347 5.982 0.602) 9.494 5.049 ( 2.815 4.798 -0.225) 5.567 5.115 ( 2.109 6.226 -5.238) 8.406 5.258 ( 4.870 3.099 -2.365) 6.238 5.385 ( -1.280 2.200 1.696) 3.059 5.594 ( 0.382 -4.511 -5.086) 6.809 5.622 ( 4.948 -5.244 0.910) 7.267 5.703 ( 6.944 -0.702 -2.151) 7.304 5.969 ( -9.358 1.704 6.207) 11.358 6.053 ( -4.458 -3.569 -1.510) 5.907 6.103 ( 2.948 0.505 -5.326) 6.108 6.300 ( -7.264 -3.266 -8.312) 11.512 6.738 ( 8.360 -12.674 -0.418) 15.188 6.925 ( 0.994 -13.567 -8.136) 15.851 8.069 ( -1.640 12.392 -3.609) 13.011 8.179 ( -5.512 12.775 -7.962) 16.031 8.803 ( -0.659 -10.699 -0.124) 10.720 8.896 ( -4.830 -9.461 -4.069) 11.375 9.579 ( 2.562 5.492 1.961) 6.370 9.617 ( 0.588 5.254 -0.494) 5.310 9.921 ( 3.363 -3.793 5.161) 7.234 10.009 ( -0.317 -6.161 0.623) 6.201 10.669 ( -3.219 4.097 1.189) 5.344 10.700 ( -4.107 3.607 -0.277) 5.473 11.049 ( 1.253 -6.057 0.829) 6.241 11.062 ( 0.634 -5.279 -0.190) 5.321 11.297 ( 3.793 1.840 0.429) 4.237 11.357 ( 1.838 1.972 -2.367) 3.587 11.705 ( -4.902 -3.808 2.056) 6.539 11.724 ( -5.287 -4.077 1.094) 6.765 12.117 ( 4.433 4.721 5.832) 8.715 12.225 ( 0.469 5.279 2.554) 5.883 12.359 ( 3.514 -2.171 3.011) 5.111 12.498 ( -2.625 -4.448 -1.385) 5.347 14.295 ( 0.158 4.443 -0.063) 4.446 14.356 ( -2.387 6.959 -3.463) 8.131 14.614 ( 3.780 -3.044 1.148) 4.988 14.729 ( -2.092 -3.091 -3.995) 5.467 21.951 ( 2.291 2.127 2.388) 3.934 22.080 ( -3.196 1.294 -3.416) 4.854 22.229 ( 2.628 -3.930 0.316) 4.738 22.341 ( -1.785 -4.392 -4.952) 6.856 23.690 ( 4.548 1.189 3.829) 6.063 23.740 ( 3.939 0.636 2.119) 4.518 23.910 ( -1.992 -0.275 0.858) 2.186 23.962 ( -2.636 -0.817 -1.080) 2.963 25.456 ( -0.351 1.341 3.014) 3.318 25.462 ( -0.660 0.665 2.869) 3.018 25.743 ( 1.474 -6.916 4.129) 8.188 25.827 ( -2.844 -8.158 0.714) 8.669 26.045 ( 2.772 8.354 -0.863) 8.845 26.058 ( 2.317 8.175 -1.334) 8.602 26.549 ( -1.263 -2.136 1.694) 3.005 26.594 ( -3.560 -2.811 -0.417) 4.555 ======================= Grid point 213 (76/96) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -0.458 19.920 0.464) 19.930 1.272 ( 0.458 19.920 0.464) 19.930 2.052 ( -9.435 -1.042 -2.190) 9.742 2.052 ( 9.435 -1.042 -2.190) 9.742 2.556 ( -8.274 3.992 10.501) 13.952 2.556 ( 8.274 3.992 10.501) 13.952 3.045 ( -4.136 -10.403 4.899) 12.220 3.045 ( 4.136 -10.403 4.899) 12.220 3.289 ( -2.951 -5.069 -0.271) 5.872 3.289 ( 2.951 -5.069 -0.271) 5.872 3.372 ( -6.620 -2.059 -2.803) 7.478 3.372 ( 6.620 -2.059 -2.803) 7.478 3.827 ( -2.514 -3.470 -0.788) 4.357 3.827 ( 2.514 -3.470 -0.788) 4.357 3.980 ( -3.744 -6.032 4.091) 8.194 3.980 ( 3.744 -6.032 4.091) 8.194 4.451 ( -6.010 14.356 1.443) 15.630 4.451 ( 6.010 14.356 1.443) 15.630 5.033 ( -4.754 9.965 -5.630) 12.394 5.033 ( 4.754 9.965 -5.630) 12.394 5.194 ( -7.281 5.825 4.511) 10.358 5.194 ( 7.281 5.825 4.511) 10.358 5.500 ( -8.101 -3.839 -4.531) 10.045 5.500 ( 8.101 -3.839 -4.531) 10.045 5.767 ( -9.449 -1.142 5.112) 10.804 5.767 ( 9.449 -1.142 5.112) 10.804 5.910 ( -11.199 -7.877 -1.441) 13.768 5.910 ( 11.199 -7.877 -1.441) 13.768 6.176 ( -5.118 1.215 -7.684) 9.312 6.176 ( 5.118 1.215 -7.684) 9.312 6.883 ( -5.800 -13.720 -2.548) 15.112 6.883 ( 5.800 -13.720 -2.548) 15.112 8.087 ( -3.555 12.717 -6.998) 14.945 8.087 ( 3.555 12.717 -6.998) 14.945 8.821 ( -2.760 -10.639 -2.666) 11.309 8.821 ( 2.760 -10.639 -2.666) 11.309 9.613 ( -1.071 6.137 1.013) 6.311 9.613 ( 1.071 6.137 1.013) 6.311 9.981 ( -2.686 -5.940 3.089) 7.214 9.981 ( 2.686 -5.940 3.089) 7.214 10.650 ( -1.029 4.917 0.554) 5.054 10.650 ( 1.029 4.917 0.554) 5.054 11.063 ( -0.395 -5.604 0.291) 5.625 11.063 ( 0.395 -5.604 0.291) 5.625 11.357 ( -2.113 2.861 -0.800) 3.645 11.357 ( 2.113 2.861 -0.800) 3.645 11.662 ( -0.961 -6.031 1.176) 6.219 11.662 ( 0.961 -6.031 1.176) 6.219 12.193 ( -3.447 4.958 5.088) 7.896 12.193 ( 3.447 4.958 5.088) 7.896 12.434 ( -4.131 -2.840 0.019) 5.013 12.434 ( 4.131 -2.840 0.019) 5.013 14.314 ( -1.869 6.543 -1.544) 6.978 14.314 ( 1.869 6.543 -1.544) 6.978 14.680 ( -3.208 -3.648 -1.535) 5.094 14.680 ( 3.208 -3.648 -1.535) 5.094 22.008 ( -3.858 2.658 -0.215) 4.690 22.008 ( 3.858 2.658 -0.215) 4.690 22.291 ( -3.419 -5.096 -3.091) 6.871 22.291 ( 3.419 -5.096 -3.091) 6.871 23.761 ( -2.321 1.928 3.442) 4.578 23.761 ( 2.321 1.928 3.442) 4.578 23.909 ( -2.361 -1.333 -0.529) 2.762 23.909 ( 2.361 -1.333 -0.529) 2.762 25.454 ( -0.166 0.541 2.689) 2.748 25.454 ( 0.166 0.541 2.689) 2.748 25.778 ( -2.325 -8.182 2.474) 8.858 25.778 ( 2.325 -8.182 2.474) 8.858 26.079 ( -0.412 9.707 -0.920) 9.759 26.079 ( 0.412 9.707 -0.920) 9.759 26.546 ( -1.236 -3.016 0.816) 3.360 26.546 ( 1.236 -3.016 0.816) 3.360 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 11.169 5.456) 12.430 1.595 ( 0.000 8.175 2.975) 8.700 2.134 ( 0.000 0.883 3.402) 3.515 2.136 ( 0.000 -0.013 8.392) 8.392 2.653 ( 0.000 -1.329 -6.378) 6.515 2.724 ( 0.000 -5.834 -0.173) 5.837 2.822 ( 0.000 0.069 -3.101) 3.102 2.915 ( 0.000 -6.331 -2.547) 6.824 3.352 ( 0.000 3.212 9.979) 10.483 3.460 ( 0.000 -6.513 6.589) 9.265 3.564 ( 0.000 2.992 1.352) 3.283 3.623 ( 0.000 -1.792 -0.522) 1.866 3.726 ( 0.000 3.894 10.176) 10.895 3.757 ( 0.000 0.795 9.408) 9.442 4.010 ( 0.000 -0.570 12.291) 12.304 4.062 ( 0.000 -3.548 8.408) 9.126 4.331 ( 0.000 13.315 -5.762) 14.509 4.369 ( 0.000 7.008 -3.571) 7.865 4.636 ( 0.000 -10.164 -4.526) 11.127 4.647 ( 0.000 -12.678 -3.139) 13.060 4.941 ( 0.000 -0.377 -2.355) 2.385 4.949 ( 0.000 -1.738 -3.889) 4.260 5.543 ( 0.000 3.628 1.418) 3.895 5.561 ( 0.000 1.712 0.157) 1.719 5.805 ( 0.000 6.834 -3.526) 7.691 5.948 ( 0.000 2.374 -7.607) 7.969 6.004 ( 0.000 2.654 0.924) 2.810 6.035 ( 0.000 -3.632 2.178) 4.235 6.102 ( 0.000 4.873 -5.196) 7.123 6.299 ( 0.000 -6.602 -7.791) 10.212 6.511 ( 0.000 -2.544 -7.489) 7.909 6.574 ( 0.000 -9.897 -11.786) 15.390 8.400 ( 0.000 9.348 2.434) 9.660 8.511 ( 0.000 4.852 1.077) 4.971 8.698 ( 0.000 -2.006 -3.765) 4.266 8.837 ( 0.000 -9.088 -6.557) 11.207 9.576 ( 0.000 3.027 1.857) 3.551 9.608 ( 0.000 0.198 0.282) 0.345 9.863 ( 0.000 0.615 2.332) 2.412 9.906 ( 0.000 -3.373 0.142) 3.376 10.849 ( 0.000 -0.056 -0.151) 0.161 10.856 ( 0.000 -0.781 -0.571) 0.968 10.879 ( 0.000 -1.247 0.790) 1.476 10.888 ( 0.000 -2.103 0.477) 2.156 11.257 ( 0.000 1.652 0.481) 1.721 11.286 ( 0.000 -1.074 -0.694) 1.279 11.872 ( 0.000 2.015 4.001) 4.480 11.912 ( 0.000 -1.651 2.707) 3.171 12.118 ( 0.000 5.049 4.351) 6.665 12.217 ( 0.000 -3.930 4.274) 5.806 12.260 ( 0.000 5.885 0.762) 5.934 12.390 ( 0.000 -6.354 -1.020) 6.436 14.343 ( 0.000 1.232 -0.051) 1.234 14.379 ( 0.000 -1.889 -0.009) 1.889 14.627 ( 0.000 4.872 -4.379) 6.551 14.712 ( 0.000 -3.160 -6.363) 7.104 21.939 ( 0.000 1.518 2.651) 3.054 21.989 ( 0.000 -3.103 0.579) 3.157 22.285 ( 0.000 0.933 -2.338) 2.517 22.311 ( 0.000 -1.468 -3.716) 3.996 23.595 ( 0.000 0.666 2.988) 3.062 23.611 ( 0.000 -0.820 2.317) 2.458 23.975 ( 0.000 0.791 0.861) 1.169 23.993 ( 0.000 -0.828 0.178) 0.847 25.526 ( 0.000 3.050 4.873) 5.749 25.582 ( 0.000 6.236 2.616) 6.763 25.611 ( 0.000 -4.812 6.240) 7.880 25.735 ( 0.000 -7.908 1.020) 7.974 26.057 ( 0.000 3.338 -1.592) 3.698 26.074 ( 0.000 2.046 -2.861) 3.517 26.585 ( 0.000 0.655 0.531) 0.843 26.624 ( 0.000 -2.784 -1.386) 3.110 ======================= Grid point 218 (78/96) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.776 11.656 4.114) 12.488 1.612 ( 1.765 9.349 2.096) 9.742 2.034 ( -6.440 2.129 3.337) 7.559 2.156 ( -1.998 -7.039 2.912) 7.875 2.562 ( -3.875 5.169 1.195) 6.570 2.741 ( -0.967 -10.160 4.358) 11.097 2.889 ( 5.899 2.643 -7.337) 9.778 2.980 ( 4.732 -5.101 -5.926) 9.139 3.199 ( -11.003 3.584 13.344) 17.663 3.323 ( -11.713 -7.499 9.899) 17.071 3.552 ( -5.018 3.671 -0.610) 6.247 3.584 ( -4.031 0.534 -3.197) 5.173 3.743 ( 2.008 -1.317 7.772) 8.134 3.771 ( 0.736 -1.598 6.355) 6.594 3.929 ( -6.254 -0.521 8.383) 10.472 3.997 ( -4.956 -5.728 5.319) 9.255 4.403 ( 9.773 15.070 -1.020) 17.991 4.560 ( 13.802 12.896 -3.553) 19.221 4.716 ( 9.193 -11.630 -1.641) 14.915 4.824 ( 14.229 -10.594 -3.349) 18.053 4.987 ( 5.311 0.243 -2.058) 5.701 5.020 ( 7.670 -3.649 -4.402) 9.566 5.537 ( -2.699 3.007 0.159) 4.044 5.557 ( 0.724 1.846 0.423) 2.027 5.720 ( -7.240 7.993 -1.896) 10.950 5.833 ( -7.191 2.276 -2.890) 8.078 6.000 ( -3.610 -5.912 4.161) 8.081 6.037 ( -2.119 -3.781 -1.268) 4.516 6.172 ( 6.782 10.078 -6.844) 13.943 6.313 ( 0.832 -2.923 -6.631) 7.294 6.491 ( -1.439 -2.769 -6.340) 7.066 6.594 ( 2.196 -11.790 -11.180) 16.395 8.366 ( -2.998 10.305 1.329) 10.814 8.495 ( -1.963 5.525 -1.118) 5.969 8.652 ( -4.372 -3.734 -3.359) 6.658 8.791 ( -4.636 -9.473 -6.526) 12.402 9.610 ( 3.358 3.146 2.044) 5.035 9.640 ( 3.244 0.614 0.411) 3.327 9.858 ( -0.560 0.142 2.588) 2.652 9.902 ( -0.485 -3.821 0.312) 3.864 10.811 ( -2.590 3.070 0.829) 4.101 10.830 ( -1.605 2.776 -0.314) 3.222 10.899 ( 0.810 -4.561 1.006) 4.740 10.917 ( 1.742 -4.622 -0.138) 4.942 11.280 ( 2.474 1.849 0.414) 3.116 11.311 ( 2.634 -0.997 -0.867) 2.947 11.800 ( -6.888 0.739 2.532) 7.375 11.821 ( -8.482 -1.225 1.706) 8.738 12.145 ( 2.914 4.867 5.048) 7.594 12.238 ( 2.252 -3.368 3.246) 5.191 12.301 ( 2.879 4.527 2.228) 5.809 12.405 ( 1.134 -5.216 -0.109) 5.339 14.353 ( 1.345 2.535 0.050) 2.870 14.407 ( 2.752 -2.072 -1.120) 3.622 14.609 ( -1.901 4.409 -3.646) 6.028 14.695 ( -1.789 -3.511 -5.891) 7.088 21.957 ( 1.932 2.125 2.169) 3.600 22.016 ( 2.729 -3.305 -0.195) 4.291 22.253 ( -3.065 1.538 -1.942) 3.941 22.297 ( -1.713 -2.486 -3.806) 4.858 23.631 ( 3.737 0.926 2.994) 4.878 23.650 ( 4.021 -0.796 2.215) 4.659 23.960 ( -1.654 0.857 1.086) 2.156 23.980 ( -1.422 -0.970 0.264) 1.742 25.514 ( -1.085 3.086 4.341) 5.435 25.563 ( -1.886 5.656 2.908) 6.634 25.604 ( -0.563 -5.207 4.979) 7.227 25.709 ( -2.523 -7.720 0.902) 8.171 26.103 ( 4.568 3.835 -0.908) 6.033 26.118 ( 4.434 2.722 -2.086) 5.606 26.560 ( -2.627 0.114 0.574) 2.692 26.595 ( -3.100 -2.851 -1.122) 4.359 ======================= Grid point 219 (79/96) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 2.678 13.359 1.049) 13.665 1.652 ( 2.102 13.412 -0.036) 13.576 1.931 ( -3.545 -2.577 0.282) 4.392 2.065 ( -6.970 -11.467 -3.386) 13.839 2.563 ( 3.728 8.135 9.596) 13.121 2.739 ( 0.955 -6.014 8.487) 10.446 2.878 ( -8.125 2.735 3.502) 9.261 2.987 ( -5.633 -4.796 1.857) 7.628 3.137 ( 3.398 -1.693 3.606) 5.236 3.181 ( 1.798 -4.561 2.449) 5.480 3.415 ( -8.126 2.696 -2.232) 8.847 3.465 ( -8.566 -2.529 -5.750) 10.623 3.769 ( 0.505 -1.896 3.380) 3.908 3.786 ( 0.919 -0.406 4.687) 4.794 3.841 ( -2.638 -1.771 6.400) 7.145 3.915 ( -3.990 -6.087 3.705) 8.167 4.616 ( 12.111 16.571 0.788) 20.540 4.780 ( 7.878 15.327 -3.946) 17.679 4.912 ( 11.485 -8.316 0.151) 14.181 5.065 ( 8.942 -10.260 -6.108) 14.917 5.127 ( 9.508 3.102 -2.092) 10.217 5.211 ( 11.510 -4.983 -5.734) 13.791 5.446 ( -7.366 4.219 0.126) 8.489 5.524 ( -5.033 -2.552 -3.279) 6.526 5.640 ( 0.738 6.711 3.409) 7.563 5.729 ( -2.731 0.435 0.361) 2.789 5.894 ( -7.631 -4.005 3.625) 9.350 5.944 ( -7.885 -6.372 -0.333) 10.143 6.266 ( 2.830 10.000 -4.254) 11.230 6.332 ( 0.988 6.454 -6.216) 9.015 6.497 ( 3.058 -8.720 -2.222) 9.504 6.629 ( 0.447 -13.952 -7.482) 15.838 8.322 ( -0.945 11.432 -2.062) 11.655 8.434 ( -4.598 10.203 -5.956) 12.677 8.578 ( -2.272 -9.501 -2.254) 10.026 8.686 ( -6.146 -10.291 -6.138) 13.467 9.681 ( 3.839 3.988 2.261) 5.980 9.708 ( 3.404 2.550 0.613) 4.298 9.845 ( -0.647 -2.253 3.060) 3.855 9.885 ( -1.456 -4.987 0.907) 5.274 10.777 ( -0.982 5.861 1.348) 6.094 10.799 ( -1.652 5.626 0.117) 5.865 10.912 ( 0.629 -6.554 1.400) 6.731 10.932 ( 0.014 -6.501 0.196) 6.504 11.347 ( 4.816 2.426 0.190) 5.396 11.380 ( 4.664 -0.226 -1.164) 4.813 11.646 ( -9.052 -1.183 0.955) 9.179 11.659 ( -8.137 -2.069 0.388) 8.405 12.214 ( 4.290 4.369 4.974) 7.889 12.297 ( 3.818 -2.925 2.338) 5.348 12.328 ( -0.286 3.684 3.844) 5.332 12.410 ( -0.960 -3.880 1.263) 4.192 14.395 ( 3.050 4.755 -0.684) 5.691 14.464 ( 2.610 0.680 -3.351) 4.301 14.567 ( -1.965 0.960 -1.601) 2.710 14.648 ( -3.255 -4.430 -4.583) 7.157 22.009 ( 3.576 3.279 0.880) 4.931 22.078 ( 3.578 -2.466 -2.091) 4.823 22.185 ( -3.791 1.100 -0.819) 4.031 22.248 ( -3.402 -4.041 -3.564) 6.372 23.721 ( 5.544 1.555 2.877) 6.437 23.744 ( 5.699 -0.455 1.914) 6.029 23.913 ( -3.367 0.702 1.583) 3.786 23.938 ( -3.251 -1.361 0.571) 3.570 25.497 ( -0.536 3.186 3.301) 4.619 25.525 ( -1.946 4.584 2.478) 5.562 25.597 ( 0.014 -6.016 3.723) 7.075 25.656 ( -2.907 -7.373 1.326) 8.036 26.204 ( 5.921 5.628 -0.061) 8.169 26.217 ( 5.681 4.962 -0.995) 7.609 26.495 ( -4.132 -2.035 0.631) 4.649 26.518 ( -4.917 -3.693 -0.530) 6.172 ======================= Grid point 220 (80/96) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -1.617 16.267 -0.976) 16.376 1.659 ( 1.617 16.267 -0.976) 16.376 1.943 ( -4.870 -9.756 -2.987) 11.306 1.943 ( 4.870 -9.756 -2.987) 11.306 2.676 ( -7.718 7.189 11.192) 15.379 2.676 ( 7.718 7.189 11.192) 15.379 2.847 ( -6.143 -8.541 8.525) 13.542 2.847 ( 6.143 -8.541 8.526) 13.542 3.243 ( -5.035 1.486 -2.593) 5.856 3.243 ( 5.035 1.486 -2.593) 5.856 3.317 ( -5.054 -3.773 -4.823) 7.940 3.317 ( 5.054 -3.773 -4.823) 7.940 3.778 ( -0.900 0.512 3.411) 3.565 3.778 ( 0.900 0.512 3.411) 3.565 3.852 ( -2.716 -5.571 4.311) 7.550 3.852 ( 2.716 -5.571 4.311) 7.550 4.798 ( -5.897 16.841 -0.873) 17.865 4.798 ( 5.897 16.841 -0.873) 17.865 5.092 ( -5.913 -7.922 -3.395) 10.453 5.092 ( 5.913 -7.922 -3.395) 10.453 5.290 ( -8.515 5.549 -2.621) 10.496 5.290 ( 8.515 5.549 -2.621) 10.496 5.401 ( -8.672 -4.730 -5.552) 11.332 5.401 ( 8.672 -4.730 -5.552) 11.332 5.738 ( -8.316 -0.313 4.373) 9.401 5.738 ( 8.316 -0.313 4.373) 9.401 5.779 ( -7.590 -4.027 1.155) 8.669 5.779 ( 7.590 -4.027 1.155) 8.669 6.314 ( -2.520 10.817 -3.869) 11.761 6.314 ( 2.520 10.817 -3.869) 11.761 6.586 ( -4.857 -13.964 -2.645) 15.019 6.586 ( 4.857 -13.964 -2.645) 15.019 8.348 ( -3.712 11.848 -5.835) 13.718 8.348 ( 3.712 11.848 -5.835) 13.718 8.591 ( -3.476 -11.063 -4.373) 12.393 8.591 ( 3.476 -11.063 -4.373) 12.393 9.733 ( -1.201 5.394 1.606) 5.755 9.733 ( 1.201 5.394 1.606) 5.755 9.852 ( -1.617 -5.946 2.189) 6.539 9.852 ( 1.617 -5.946 2.189) 6.539 10.775 ( -0.764 6.700 0.960) 6.811 10.775 ( 0.764 6.700 0.960) 6.811 10.924 ( -0.679 -7.060 0.991) 7.161 10.924 ( 0.679 -7.060 0.991) 7.161 11.437 ( -2.424 4.464 -0.605) 5.116 11.437 ( 2.424 4.464 -0.605) 5.116 11.542 ( -1.906 -5.322 0.104) 5.654 11.542 ( 1.906 -5.322 0.104) 5.654 12.289 ( -3.449 4.094 4.204) 6.807 12.289 ( 3.449 4.094 4.204) 6.807 12.368 ( -3.404 -3.382 2.318) 5.329 12.368 ( 3.404 -3.382 2.318) 5.329 14.456 ( -3.044 6.515 -2.575) 7.639 14.456 ( 3.044 6.515 -2.575) 7.639 14.583 ( -3.332 -5.383 -2.438) 6.784 14.583 ( 3.332 -5.383 -2.438) 6.784 22.080 ( -3.730 4.096 -1.115) 5.651 22.080 ( 3.730 4.096 -1.115) 5.651 22.180 ( -3.554 -5.157 -2.118) 6.612 22.180 ( 3.554 -5.157 -2.118) 6.612 23.812 ( -2.527 2.738 2.480) 4.476 23.812 ( 2.527 2.738 2.480) 4.476 23.869 ( -2.542 -2.410 1.079) 3.665 23.869 ( 2.542 -2.410 1.079) 3.665 25.499 ( -0.812 3.708 2.502) 4.546 25.499 ( 0.812 3.708 2.502) 4.546 25.612 ( -1.660 -6.856 2.468) 7.474 25.612 ( 1.660 -6.856 2.468) 7.474 26.283 ( -0.651 8.976 -0.196) 9.002 26.283 ( 0.651 8.976 -0.196) 9.002 26.447 ( -0.931 -6.310 0.232) 6.383 26.447 ( 0.931 -6.310 0.232) 6.383 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 0.000 -1.745) 1.745 0.619 ( 0.000 0.000 1.745) 1.745 2.471 ( 0.000 0.000 -12.745) 12.745 2.471 ( 0.000 0.000 12.745) 12.745 2.494 ( 0.000 0.000 -25.927) 25.927 2.494 ( 0.000 0.000 25.927) 25.927 3.226 ( 0.000 0.000 -0.346) 0.346 3.226 ( 0.000 0.000 0.346) 0.346 3.388 ( 0.000 0.000 -6.475) 6.475 3.388 ( 0.000 0.000 6.475) 6.475 3.553 ( 0.000 0.000 -5.416) 5.416 3.553 ( 0.000 0.000 5.416) 5.416 3.684 ( 0.000 0.000 -2.580) 2.580 3.684 ( 0.000 0.000 2.580) 2.580 4.199 ( 0.000 0.000 -1.931) 1.931 4.199 ( 0.000 0.000 1.931) 1.931 4.650 ( 0.000 0.000 -7.345) 7.345 4.650 ( 0.000 0.000 7.345) 7.345 4.689 ( 0.000 0.000 -1.662) 1.662 4.689 ( 0.000 0.000 1.662) 1.662 4.867 ( 0.000 0.000 -1.205) 1.205 4.867 ( 0.000 0.000 1.205) 1.205 5.325 ( 0.000 0.000 -1.025) 1.025 5.325 ( 0.000 0.000 1.025) 1.025 5.710 ( 0.000 0.000 -4.433) 4.433 5.710 ( 0.000 0.000 4.433) 4.433 5.856 ( 0.000 0.000 -1.258) 1.258 5.856 ( 0.000 0.000 1.258) 1.258 6.327 ( 0.000 0.000 -0.372) 0.372 6.327 ( 0.000 0.000 0.372) 0.372 7.120 ( 0.000 0.000 -6.355) 6.355 7.120 ( 0.000 0.000 6.355) 6.355 7.786 ( 0.000 0.000 -1.030) 1.030 7.786 ( 0.000 0.000 1.030) 1.030 9.133 ( 0.000 0.000 -3.303) 3.303 9.133 ( 0.000 0.000 3.303) 3.303 9.456 ( 0.000 0.000 -3.963) 3.963 9.456 ( 0.000 0.000 3.963) 3.963 10.006 ( 0.000 0.000 -7.428) 7.428 10.006 ( 0.000 0.000 7.428) 7.428 10.895 ( 0.000 0.000 -0.881) 0.881 10.895 ( 0.000 0.000 0.881) 0.881 11.091 ( 0.000 0.000 -2.047) 2.047 11.091 ( 0.000 0.000 2.047) 2.047 11.178 ( 0.000 0.000 -2.696) 2.696 11.178 ( 0.000 0.000 2.696) 2.696 11.891 ( 0.000 0.000 -4.098) 4.098 11.891 ( 0.000 0.000 4.098) 4.098 11.964 ( 0.000 0.000 -0.427) 0.427 11.964 ( 0.000 0.000 0.427) 0.427 12.569 ( 0.000 0.000 -11.389) 11.389 12.569 ( 0.000 0.000 11.389) 11.389 14.275 ( 0.000 0.000 -3.734) 3.734 14.275 ( 0.000 0.000 3.734) 3.734 14.671 ( 0.000 0.000 -7.039) 7.039 14.671 ( 0.000 0.000 7.039) 7.039 22.079 ( 0.000 0.000 -6.763) 6.763 22.079 ( 0.000 0.000 6.763) 6.763 22.284 ( 0.000 0.000 -1.774) 1.774 22.284 ( 0.000 0.000 1.774) 1.774 23.649 ( 0.000 0.000 -2.129) 2.129 23.649 ( 0.000 0.000 2.129) 2.129 23.974 ( 0.000 0.000 -1.518) 1.518 23.974 ( 0.000 0.000 1.518) 1.518 25.474 ( 0.000 0.000 -1.962) 1.962 25.474 ( 0.000 0.000 1.962) 1.962 25.729 ( 0.000 0.000 -2.365) 2.365 25.729 ( 0.000 0.000 2.365) 2.365 26.046 ( 0.000 0.000 -2.987) 2.987 26.046 ( 0.000 0.000 2.987) 2.987 26.690 ( 0.000 0.000 -3.273) 3.273 26.690 ( 0.000 0.000 3.273) 3.273 ======================= Grid point 247 (82/96) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.228 0.000 -1.534) 1.551 0.617 ( -0.228 0.000 1.534) 1.551 2.348 ( -13.009 0.000 -22.514) 26.002 2.348 ( -13.009 0.000 22.514) 26.002 2.505 ( 3.343 0.000 -11.949) 12.407 2.505 ( 3.343 0.000 11.949) 12.407 3.243 ( 1.917 0.000 -1.400) 2.374 3.243 ( 1.917 0.000 1.400) 2.374 3.397 ( 0.986 0.000 -8.167) 8.226 3.397 ( 0.986 0.000 8.167) 8.226 3.614 ( 3.267 0.000 -6.052) 6.877 3.614 ( 3.267 0.000 6.052) 6.877 3.689 ( 0.461 0.000 -4.517) 4.540 3.689 ( 0.461 0.000 4.517) 4.540 4.209 ( 1.151 0.000 -1.633) 1.998 4.209 ( 1.151 0.000 1.633) 1.998 4.467 ( -9.254 0.000 -7.595) 11.972 4.467 ( -9.254 0.000 7.595) 11.972 4.780 ( -8.334 0.000 -2.838) 8.803 4.780 ( -8.334 0.000 2.838) 8.803 4.848 ( 8.632 0.000 -6.336) 10.708 4.848 ( 8.632 0.000 6.336) 10.708 5.333 ( 1.192 0.000 -4.401) 4.559 5.333 ( 1.192 0.000 4.401) 4.559 5.803 ( 8.858 0.000 -4.459) 9.917 5.803 ( 8.858 0.000 4.459) 9.917 5.883 ( 1.912 0.000 -2.358) 3.036 5.883 ( 1.912 0.000 2.358) 3.036 6.326 ( -1.108 0.000 -4.946) 5.068 6.326 ( -1.108 0.000 4.946) 5.068 7.151 ( 4.035 0.000 -6.833) 7.936 7.151 ( 4.035 0.000 6.833) 7.936 7.721 ( -6.494 0.000 -3.279) 7.275 7.721 ( -6.494 0.000 3.279) 7.275 9.162 ( 2.754 0.000 -3.182) 4.208 9.162 ( 2.754 0.000 3.182) 4.208 9.416 ( -3.992 0.000 -3.661) 5.417 9.416 ( -3.992 0.000 3.661) 5.417 10.050 ( 4.273 0.000 -6.549) 7.819 10.050 ( 4.273 0.000 6.549) 7.819 10.767 ( -9.559 0.000 -0.871) 9.599 10.767 ( -9.559 0.000 0.871) 9.599 11.166 ( -1.162 0.000 -2.436) 2.699 11.166 ( -1.162 0.000 2.436) 2.699 11.194 ( 7.066 0.000 -0.434) 7.080 11.194 ( 7.066 0.000 0.434) 7.080 11.908 ( 1.636 0.000 -3.732) 4.075 11.908 ( 1.636 0.000 3.732) 4.075 11.973 ( 0.934 0.000 -0.854) 1.265 11.973 ( 0.934 0.000 0.854) 1.265 12.548 ( -2.147 0.000 -10.201) 10.424 12.548 ( -2.147 0.000 10.201) 10.424 14.241 ( -3.166 0.000 -3.125) 4.448 14.241 ( -3.166 0.000 3.125) 4.448 14.696 ( 2.303 0.000 -5.560) 6.018 14.696 ( 2.303 0.000 5.560) 6.018 22.041 ( -3.297 0.000 -6.265) 7.080 22.041 ( -3.297 0.000 6.265) 7.080 22.315 ( 2.626 0.000 -4.058) 4.833 22.315 ( 2.626 0.000 4.058) 4.833 23.677 ( 2.778 0.000 -2.036) 3.444 23.677 ( 2.778 0.000 2.036) 3.444 23.960 ( -1.442 0.000 -1.584) 2.142 23.960 ( -1.442 0.000 1.584) 2.142 25.494 ( 1.957 0.000 -1.813) 2.668 25.494 ( 1.957 0.000 1.813) 2.668 25.730 ( 0.129 0.000 -2.068) 2.072 25.730 ( 0.129 0.000 2.068) 2.072 26.044 ( -0.145 0.000 -2.607) 2.611 26.044 ( -0.145 0.000 2.607) 2.611 26.669 ( -2.099 0.000 -2.788) 3.490 26.669 ( -2.099 0.000 2.788) 3.490 ======================= Grid point 249 (83/96) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.205 0.000 -0.904) 0.927 0.612 ( -0.205 0.000 0.904) 0.927 2.118 ( -10.139 0.000 -13.629) 16.987 2.118 ( -10.139 0.000 13.629) 16.987 2.572 ( 3.232 0.000 -7.953) 8.584 2.572 ( 3.232 0.000 7.953) 8.584 3.303 ( 4.871 0.000 -3.221) 5.840 3.303 ( 4.871 0.000 3.221) 5.840 3.421 ( 1.391 0.000 -7.614) 7.740 3.421 ( 1.391 0.000 7.614) 7.740 3.580 ( -6.689 0.000 -7.795) 10.272 3.580 ( -6.689 0.000 7.795) 10.272 3.696 ( 0.118 0.000 -4.821) 4.823 3.696 ( 0.118 0.000 4.821) 4.823 4.247 ( 3.072 0.000 -1.674) 3.498 4.247 ( 3.072 0.000 1.674) 3.498 4.363 ( -2.583 0.000 -6.073) 6.599 4.363 ( -2.583 0.000 6.073) 6.599 4.609 ( -9.050 0.000 -3.337) 9.646 4.609 ( -9.050 0.000 3.337) 9.646 4.993 ( 6.289 0.000 -7.475) 9.768 4.993 ( 6.289 0.000 7.475) 9.768 5.398 ( 6.668 0.000 -4.896) 8.272 5.398 ( 6.668 0.000 4.896) 8.272 5.884 ( -2.672 0.000 -1.688) 3.160 5.884 ( -2.672 0.000 1.688) 3.160 5.976 ( 8.407 0.000 -3.376) 9.059 5.976 ( 8.407 0.000 3.376) 9.059 6.264 ( -4.775 0.000 -6.446) 8.022 6.264 ( -4.775 0.000 6.446) 8.022 7.266 ( 7.144 0.000 -5.028) 8.736 7.266 ( 7.144 0.000 5.028) 8.736 7.585 ( -6.997 0.000 -3.405) 7.782 7.585 ( -6.997 0.000 3.405) 7.782 9.215 ( 2.496 0.000 -2.087) 3.253 9.215 ( 2.496 0.000 2.087) 3.253 9.332 ( -4.350 0.000 -2.350) 4.944 9.332 ( -4.350 0.000 2.350) 4.944 10.136 ( 4.273 0.000 -4.062) 5.895 10.136 ( 4.273 0.000 4.062) 5.895 10.610 ( -6.663 0.000 -1.214) 6.773 10.610 ( -6.663 0.000 1.214) 6.773 11.143 ( -1.103 0.000 -1.508) 1.868 11.143 ( -1.103 0.000 1.508) 1.868 11.298 ( 3.868 0.000 -0.243) 3.876 11.298 ( 3.868 0.000 0.243) 3.876 11.940 ( 1.590 0.000 -2.349) 2.837 11.940 ( 1.590 0.000 2.349) 2.837 11.994 ( 1.145 0.000 -1.063) 1.562 11.994 ( 1.145 0.000 1.063) 1.562 12.502 ( -2.339 0.000 -6.395) 6.809 12.502 ( -2.339 0.000 6.395) 6.809 14.182 ( -2.730 0.000 -1.860) 3.304 14.182 ( -2.730 0.000 1.860) 3.304 14.737 ( 1.845 0.000 -2.825) 3.374 14.737 ( 1.845 0.000 2.825) 3.374 21.985 ( -2.426 0.000 -3.730) 4.449 21.985 ( -2.426 0.000 3.730) 4.449 22.359 ( 1.803 0.000 -2.975) 3.479 22.359 ( 1.803 0.000 2.975) 3.479 23.738 ( 3.384 0.000 -1.740) 3.805 23.738 ( 3.384 0.000 1.740) 3.805 23.926 ( -2.084 0.000 -1.566) 2.607 23.926 ( -2.084 0.000 1.566) 2.607 25.535 ( 2.077 0.000 -1.178) 2.388 25.535 ( 2.077 0.000 1.178) 2.388 25.733 ( 0.132 0.000 -1.218) 1.225 25.733 ( 0.132 0.000 1.218) 1.225 26.041 ( -0.147 0.000 -1.529) 1.536 26.041 ( -0.147 0.000 1.529) 1.536 26.625 ( -2.237 0.000 -1.557) 2.725 26.625 ( -2.237 0.000 1.557) 2.725 ======================= Grid point 251 (84/96) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -0.000 0.000 0.000) 0.000 0.610 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.604 ( -0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 3.410 ( -0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.436 ( -0.000 0.000 0.000) 0.000 3.445 ( -0.000 0.000 -0.000) 0.000 3.445 ( 0.000 0.000 -0.000) 0.000 3.695 ( -0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 4.293 ( -0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.505 ( -0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 5.050 ( -0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.510 ( -0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.819 ( -0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 6.062 ( -0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.345 ( -0.000 0.000 0.000) 0.000 7.512 ( -0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.286 ( -0.000 0.000 0.000) 0.000 9.286 ( 0.000 0.000 0.000) 0.000 10.181 ( -0.000 0.000 0.000) 0.000 10.181 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 11.132 ( -0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 0.000) 0.000 11.333 ( 0.000 0.000 0.000) 0.000 11.333 ( 0.000 0.000 0.000) 0.000 11.956 ( -0.000 0.000 0.000) 0.000 11.956 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.006 ( -0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 14.155 ( -0.000 0.000 0.000) 0.000 14.155 ( 0.000 0.000 0.000) 0.000 14.755 ( -0.000 0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 21.961 ( 0.000 0.000 0.000) 0.000 21.961 ( 0.000 0.000 0.000) 0.000 22.376 ( 0.000 0.000 0.000) 0.000 22.376 ( 0.000 0.000 0.000) 0.000 23.776 ( -0.000 0.000 0.000) 0.000 23.776 ( 0.000 0.000 0.000) 0.000 23.900 ( -0.000 0.000 0.000) 0.000 23.900 ( 0.000 0.000 0.000) 0.000 25.556 ( 0.000 0.000 0.000) 0.000 25.556 ( 0.000 0.000 0.000) 0.000 25.734 ( -0.000 0.000 0.000) 0.000 25.734 ( 0.000 0.000 0.000) 0.000 26.040 ( -0.000 0.000 0.000) 0.000 26.040 ( 0.000 0.000 0.000) 0.000 26.602 ( 0.000 0.000 0.000) 0.000 26.602 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 259 (85/96) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 17.927 -0.070) 17.927 0.845 ( 0.000 17.927 0.070) 17.927 2.468 ( 0.000 -2.733 -21.224) 21.399 2.468 ( 0.000 -2.733 21.224) 21.399 2.486 ( 0.000 1.423 -11.948) 12.033 2.486 ( 0.000 1.423 11.948) 12.033 3.165 ( 0.000 -5.592 -0.468) 5.612 3.165 ( 0.000 -5.592 0.468) 5.612 3.410 ( 0.000 3.015 -1.133) 3.221 3.410 ( 0.000 3.015 1.133) 3.221 3.580 ( 0.000 1.124 -7.505) 7.589 3.580 ( 0.000 1.124 7.505) 7.589 3.742 ( 0.000 5.532 -5.583) 7.860 3.742 ( 0.000 5.532 5.583) 7.860 4.120 ( 0.000 -6.547 -2.771) 7.109 4.120 ( 0.000 -6.547 2.771) 7.109 4.456 ( 0.000 -10.546 -8.102) 13.299 4.456 ( 0.000 -10.546 8.102) 13.299 4.734 ( 0.000 3.204 -2.388) 3.996 4.734 ( 0.000 3.204 2.388) 3.996 5.019 ( 0.000 4.878 -0.707) 4.929 5.019 ( 0.000 4.878 0.707) 4.929 5.351 ( 0.000 4.202 -0.126) 4.204 5.351 ( 0.000 4.202 0.126) 4.204 5.607 ( 0.000 -5.418 -0.969) 5.503 5.607 ( 0.000 -5.418 0.969) 5.503 5.936 ( 0.000 4.257 -1.296) 4.450 5.936 ( 0.000 4.257 1.296) 4.450 6.330 ( 0.000 -0.061 -0.056) 0.083 6.330 ( 0.000 -0.061 0.056) 0.083 6.943 ( 0.000 -13.702 -7.115) 15.439 6.943 ( 0.000 -13.702 7.115) 15.439 7.940 ( 0.000 11.776 -0.202) 11.778 7.940 ( 0.000 11.776 0.202) 11.778 9.068 ( 0.000 -5.627 -3.550) 6.653 9.068 ( 0.000 -5.627 3.550) 6.653 9.485 ( 0.000 2.376 -3.252) 4.027 9.485 ( 0.000 2.376 3.252) 4.027 9.991 ( 0.000 -1.461 -5.981) 6.157 9.991 ( 0.000 -1.461 5.981) 6.157 10.884 ( 0.000 -0.872 -0.785) 1.173 10.884 ( 0.000 -0.872 0.785) 1.173 11.041 ( 0.000 -3.814 -1.446) 4.079 11.041 ( 0.000 -3.814 1.446) 4.079 11.209 ( 0.000 2.141 -2.845) 3.560 11.209 ( 0.000 2.141 2.845) 3.560 11.892 ( 0.000 0.412 -3.765) 3.787 11.892 ( 0.000 0.412 3.765) 3.787 12.005 ( 0.000 3.404 -1.271) 3.634 12.005 ( 0.000 3.404 1.271) 3.634 12.530 ( 0.000 -3.402 -9.655) 10.237 12.530 ( 0.000 -3.402 9.655) 10.237 14.296 ( 0.000 1.773 -1.615) 2.398 14.296 ( 0.000 1.773 1.615) 2.398 14.659 ( 0.000 -1.045 -7.067) 7.144 14.659 ( 0.000 -1.045 7.067) 7.144 22.060 ( 0.000 -1.685 -5.922) 6.157 22.060 ( 0.000 -1.685 5.922) 6.157 22.280 ( 0.000 -0.398 -1.812) 1.855 22.280 ( 0.000 -0.398 1.812) 1.855 23.645 ( 0.000 -0.333 -1.890) 1.919 23.645 ( 0.000 -0.333 1.890) 1.919 23.976 ( 0.000 0.165 -1.474) 1.483 23.976 ( 0.000 0.165 1.474) 1.483 25.482 ( 0.000 0.868 -1.402) 1.649 25.482 ( 0.000 0.868 1.402) 1.649 25.776 ( 0.000 3.791 -3.027) 4.851 25.776 ( 0.000 3.791 3.027) 4.851 26.007 ( 0.000 -3.199 -2.421) 4.012 26.007 ( 0.000 -3.199 2.421) 4.012 26.677 ( 0.000 -1.232 -3.045) 3.285 26.677 ( 0.000 -1.232 3.045) 3.285 ======================= Grid point 261 (86/96) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.121 18.091 -0.146) 18.092 0.846 ( 0.121 18.091 0.146) 18.092 2.325 ( -11.358 -2.031 -19.195) 22.397 2.325 ( -11.358 -2.031 19.195) 22.397 2.536 ( 2.885 2.425 -13.654) 14.165 2.536 ( 2.885 2.425 13.654) 14.165 3.179 ( 1.600 -5.654 -1.343) 6.028 3.179 ( 1.600 -5.654 1.343) 6.028 3.387 ( -0.993 -0.139 -2.455) 2.652 3.387 ( -0.993 -0.139 2.455) 2.652 3.588 ( -1.588 -1.694 -3.173) 3.932 3.588 ( -1.588 -1.694 3.173) 3.932 3.786 ( 3.181 6.659 -5.693) 9.320 3.786 ( 3.181 6.659 5.693) 9.320 4.141 ( 2.510 -5.048 -2.582) 6.201 4.141 ( 2.510 -5.048 2.582) 6.201 4.342 ( -7.979 -7.957 -8.060) 13.855 4.342 ( -7.979 -7.957 8.060) 13.855 4.794 ( 2.827 3.599 -4.405) 6.352 4.794 ( 2.827 3.599 4.405) 6.352 5.014 ( 0.687 7.365 -4.355) 8.584 5.014 ( 0.687 7.365 4.355) 8.584 5.362 ( 1.095 3.864 -4.329) 5.905 5.362 ( 1.095 3.864 4.329) 5.905 5.669 ( 6.515 -7.812 -1.363) 10.263 5.669 ( 6.515 -7.812 1.363) 10.263 5.962 ( 2.142 3.565 -1.878) 4.564 5.962 ( 2.142 3.565 1.878) 4.564 6.320 ( -2.248 -0.922 -4.697) 5.288 6.320 ( -2.248 -0.922 4.697) 5.288 6.970 ( 3.605 -13.572 -7.309) 15.831 6.970 ( 3.605 -13.572 7.309) 15.831 7.886 ( -5.333 12.237 -2.961) 13.673 7.886 ( -5.333 12.237 2.961) 13.673 9.070 ( -0.153 -7.263 -3.100) 7.898 9.070 ( -0.153 -7.263 3.100) 7.898 9.475 ( -0.783 4.288 -2.542) 5.046 9.475 ( -0.783 4.288 2.542) 5.046 10.025 ( 3.426 -2.265 -5.392) 6.778 10.025 ( 3.426 -2.265 5.392) 6.778 10.766 ( -8.595 0.080 -0.797) 8.632 10.766 ( -8.595 0.080 0.797) 8.632 11.116 ( 3.344 -3.773 -0.427) 5.060 11.116 ( 3.344 -3.773 0.427) 5.060 11.226 ( 2.601 2.052 -2.180) 3.966 11.226 ( 2.601 2.052 2.180) 3.966 11.871 ( -1.841 -1.881 -2.485) 3.620 11.871 ( -1.841 -1.881 2.485) 3.620 12.039 ( 3.083 4.465 -2.271) 5.882 12.039 ( 3.083 4.465 2.271) 5.882 12.516 ( -1.515 -2.790 -8.644) 9.208 12.516 ( -1.515 -2.790 8.644) 9.208 14.268 ( -2.645 2.319 -1.333) 3.761 14.268 ( -2.645 2.319 1.333) 3.761 14.680 ( 1.980 -1.409 -5.621) 6.124 14.680 ( 1.980 -1.409 5.621) 6.124 22.034 ( -2.401 -0.688 -5.834) 6.346 22.034 ( -2.401 -0.688 5.834) 6.346 22.300 ( 1.770 -1.362 -3.873) 4.471 22.300 ( 1.770 -1.362 3.873) 4.471 23.674 ( 2.903 -0.217 -1.871) 3.461 23.674 ( 2.903 -0.217 1.871) 3.461 23.963 ( -1.357 0.241 -1.575) 2.093 23.963 ( -1.357 0.241 1.575) 2.093 25.488 ( 0.586 -0.071 -1.190) 1.328 25.488 ( 0.586 -0.071 1.190) 1.328 25.792 ( 1.687 4.719 -2.739) 5.711 25.792 ( 1.687 4.719 2.739) 5.711 26.000 ( -0.751 -3.512 -2.226) 4.226 26.000 ( -0.751 -3.512 2.226) 4.226 26.658 ( -1.903 -1.110 -2.583) 3.395 26.658 ( -1.903 -1.110 2.583) 3.395 ======================= Grid point 263 (87/96) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.289 18.532 -0.218) 18.536 0.850 ( 0.289 18.532 0.218) 18.536 2.119 ( -9.244 -0.059 -12.044) 15.183 2.119 ( -9.244 -0.059 12.044) 15.183 2.589 ( 2.460 1.771 -8.253) 8.792 2.589 ( 2.460 1.771 8.253) 8.792 3.229 ( 3.936 -6.315 -3.141) 8.076 3.229 ( 3.936 -6.315 3.141) 8.076 3.386 ( 0.486 -3.043 -3.480) 4.648 3.386 ( 0.486 -3.043 3.480) 4.648 3.502 ( -7.115 -4.705 -4.242) 9.527 3.502 ( -7.115 -4.705 4.242) 9.527 3.804 ( -0.673 5.514 -4.179) 6.951 3.804 ( -0.673 5.514 4.179) 6.951 4.186 ( -0.127 -6.082 -1.700) 6.316 4.186 ( -0.127 -6.082 1.700) 6.316 4.263 ( 1.025 -1.559 -2.853) 3.409 4.263 ( 1.025 -1.559 2.853) 3.409 4.777 ( -3.600 10.389 -4.031) 11.711 4.777 ( -3.600 10.389 4.031) 11.711 5.082 ( 5.200 6.438 -7.006) 10.843 5.082 ( 5.200 6.438 7.006) 10.843 5.411 ( 5.090 1.677 -5.611) 7.759 5.411 ( 5.090 1.677 5.611) 7.759 5.796 ( 5.053 -6.936 -0.841) 8.622 5.796 ( 5.053 -6.936 0.841) 8.622 6.000 ( 2.330 1.649 -3.060) 4.185 6.000 ( 2.330 1.649 3.060) 4.185 6.221 ( -7.705 -3.919 -6.516) 10.825 6.221 ( -7.705 -3.919 6.516) 10.825 7.072 ( 6.035 -13.046 -4.870) 15.177 7.072 ( 6.035 -13.046 4.870) 15.177 7.780 ( -4.992 13.114 -2.848) 14.318 7.780 ( -4.992 13.114 2.848) 14.318 9.053 ( -1.586 -10.089 -1.703) 10.354 9.053 ( -1.586 -10.089 1.703) 10.354 9.466 ( -0.132 7.422 -1.012) 7.492 9.466 ( -0.132 7.422 1.012) 7.492 10.096 ( 3.536 -3.647 -3.409) 6.118 10.096 ( 3.536 -3.647 3.409) 6.118 10.628 ( -5.754 1.766 -1.062) 6.112 10.628 ( -5.754 1.766 1.062) 6.112 11.133 ( -0.358 -1.581 -0.797) 1.806 11.133 ( -0.358 -1.581 0.797) 1.806 11.293 ( 3.339 0.119 -0.538) 3.384 11.293 ( 3.339 0.119 0.538) 3.384 11.837 ( -1.557 -5.517 -1.046) 5.827 11.837 ( -1.557 -5.517 1.046) 5.827 12.100 ( 3.106 5.757 -2.426) 6.977 12.100 ( 3.106 5.757 2.426) 6.977 12.482 ( -1.864 -1.748 -5.545) 6.106 12.482 ( -1.864 -1.748 5.545) 6.106 14.218 ( -2.288 3.248 -0.925) 4.079 14.218 ( -2.288 3.248 0.925) 4.079 14.716 ( 1.607 -1.966 -2.875) 3.836 14.716 ( 1.607 -1.966 2.875) 3.836 21.991 ( -1.906 0.576 -3.661) 4.168 21.991 ( -1.906 0.576 3.661) 4.168 22.330 ( 1.324 -2.558 -2.955) 4.127 22.330 ( 1.324 -2.558 2.955) 4.127 23.739 ( 3.631 0.131 -1.710) 4.016 23.739 ( 3.631 0.131 1.710) 4.016 23.929 ( -2.132 0.264 -1.600) 2.679 23.929 ( -2.132 0.264 1.600) 2.679 25.500 ( 0.568 -1.800 -0.655) 1.998 25.500 ( 0.568 -1.800 0.655) 1.998 25.831 ( 2.249 6.999 -1.872) 7.586 25.831 ( 2.249 6.999 1.872) 7.586 25.982 ( -1.184 -4.693 -1.596) 5.096 25.982 ( -1.184 -4.693 1.596) 5.096 26.618 ( -2.022 -0.874 -1.424) 2.623 26.618 ( -2.022 -0.874 1.424) 2.623 ======================= Grid point 265 (88/96) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 18.827 0.000) 18.827 0.854 ( 0.000 18.827 0.000) 18.827 2.029 ( 0.000 0.641 -0.000) 0.641 2.029 ( 0.000 0.641 0.000) 0.641 2.613 ( -0.000 1.245 0.000) 1.245 2.613 ( 0.000 1.245 0.000) 1.245 3.302 ( -0.000 -8.480 0.000) 8.480 3.302 ( 0.000 -8.480 0.000) 8.480 3.374 ( 0.000 -4.348 0.000) 4.348 3.374 ( 0.000 -4.348 0.000) 4.348 3.410 ( -0.000 -3.377 0.000) 3.377 3.410 ( 0.000 -3.377 0.000) 3.377 3.794 ( -0.000 5.203 0.000) 5.203 3.794 ( 0.000 5.203 0.000) 5.203 4.169 ( 0.000 -8.495 0.000) 8.495 4.169 ( -0.000 -8.495 0.000) 8.495 4.297 ( -0.000 2.513 0.000) 2.513 4.297 ( 0.000 2.513 0.000) 2.513 4.730 ( -0.000 12.882 0.000) 12.882 4.730 ( 0.000 12.882 0.000) 12.882 5.134 ( -0.000 6.629 0.000) 6.629 5.134 ( 0.000 6.629 0.000) 6.629 5.497 ( -0.000 -1.367 0.000) 1.367 5.497 ( 0.000 -1.367 0.000) 1.367 5.819 ( -0.000 0.097 -0.000) 0.097 5.819 ( 0.000 0.097 -0.000) 0.097 6.049 ( -0.000 -0.716 0.000) 0.716 6.049 ( 0.000 -0.716 -0.000) 0.716 6.115 ( -0.000 -8.317 0.000) 8.317 6.115 ( 0.000 -8.317 0.000) 8.317 7.135 ( 0.000 -12.620 0.000) 12.620 7.135 ( 0.000 -12.620 0.000) 12.620 7.732 ( 0.000 13.315 0.000) 13.315 7.732 ( 0.000 13.315 0.000) 13.315 9.033 ( -0.000 -11.101 0.000) 11.101 9.033 ( 0.000 -11.101 0.000) 11.101 9.466 ( -0.000 8.518 0.000) 8.518 9.466 ( 0.000 8.518 0.000) 8.518 10.132 ( -0.000 -4.328 0.000) 4.328 10.132 ( 0.000 -4.328 0.000) 4.328 10.572 ( 0.000 2.614 0.000) 2.614 10.572 ( 0.000 2.614 0.000) 2.614 11.127 ( -0.000 -0.986 0.000) 0.986 11.127 ( 0.000 -0.986 0.000) 0.986 11.325 ( -0.000 -0.203 0.000) 0.203 11.325 ( 0.000 -0.203 0.000) 0.203 11.822 ( -0.000 -7.221 0.000) 7.221 11.822 ( 0.000 -7.221 0.000) 7.221 12.133 ( 0.000 6.415 0.000) 6.415 12.133 ( -0.000 6.415 0.000) 6.415 12.461 ( -0.000 -1.407 0.000) 1.407 12.461 ( 0.000 -1.407 0.000) 1.407 14.196 ( -0.000 3.666 0.000) 3.666 14.196 ( 0.000 3.666 0.000) 3.666 14.732 ( 0.000 -2.193 0.000) 2.193 14.732 ( 0.000 -2.193 0.000) 2.193 21.972 ( 0.000 1.036 0.000) 1.036 21.972 ( 0.000 1.036 0.000) 1.036 22.343 ( -0.000 -2.983 0.000) 2.983 22.343 ( 0.000 -2.983 0.000) 2.983 23.781 ( -0.000 0.488 0.000) 0.488 23.781 ( 0.000 0.488 0.000) 0.488 23.902 ( -0.000 0.087 0.000) 0.087 23.902 ( 0.000 0.087 0.000) 0.087 25.506 ( -0.000 -2.587 0.000) 2.587 25.506 ( 0.000 -2.587 0.000) 2.587 25.857 ( -0.000 9.129 0.000) 9.129 25.857 ( 0.000 9.129 0.000) 9.129 25.967 ( -0.000 -6.339 0.000) 6.339 25.967 ( 0.000 -6.339 0.000) 6.339 26.597 ( 0.000 -0.763 0.000) 0.763 26.597 ( 0.000 -0.763 0.000) 0.763 ======================= Grid point 273 (89/96) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 19.777 -1.278) 19.818 1.263 ( 0.000 19.777 1.278) 19.818 2.366 ( 0.000 -6.753 -8.983) 11.238 2.366 ( 0.000 -6.753 8.983) 11.238 2.538 ( 0.000 3.641 -7.218) 8.084 2.538 ( 0.000 3.641 7.218) 8.084 3.010 ( 0.000 -8.499 -1.928) 8.715 3.010 ( 0.000 -8.499 1.928) 8.715 3.496 ( 0.000 3.474 -5.414) 6.433 3.496 ( 0.000 3.474 5.414) 6.433 3.586 ( 0.000 -0.099 -5.825) 5.826 3.586 ( 0.000 -0.099 5.825) 5.826 3.859 ( 0.000 1.223 -5.417) 5.553 3.859 ( 0.000 1.223 5.417) 5.553 4.024 ( 0.000 3.119 -4.738) 5.672 4.024 ( 0.000 3.119 4.738) 5.672 4.287 ( 0.000 -5.316 -8.305) 9.861 4.287 ( 0.000 -5.316 8.305) 9.861 4.765 ( 0.000 -2.317 -3.137) 3.900 4.765 ( 0.000 -2.317 3.137) 3.900 4.978 ( 0.000 -5.333 -0.461) 5.353 4.978 ( 0.000 -5.333 0.461) 5.353 5.514 ( 0.000 6.089 -4.202) 7.398 5.514 ( 0.000 6.089 4.202) 7.398 5.576 ( 0.000 5.762 -2.132) 6.143 5.576 ( 0.000 5.762 2.132) 6.143 6.004 ( 0.000 2.202 -2.309) 3.191 6.004 ( 0.000 2.202 2.309) 3.191 6.301 ( 0.000 -3.502 -2.458) 4.278 6.301 ( 0.000 -3.502 2.458) 4.278 6.632 ( 0.000 -13.932 -6.450) 15.352 6.632 ( 0.000 -13.932 6.450) 15.352 8.210 ( 0.000 12.847 -2.382) 13.066 8.210 ( 0.000 12.847 2.382) 13.066 8.916 ( 0.000 -8.376 -4.358) 9.442 8.916 ( 0.000 -8.376 4.358) 9.442 9.545 ( 0.000 3.040 -2.063) 3.674 9.545 ( 0.000 3.040 2.063) 3.674 9.947 ( 0.000 -2.461 -3.238) 4.067 9.947 ( 0.000 -2.461 3.238) 4.067 10.863 ( 0.000 -0.986 -0.528) 1.119 10.863 ( 0.000 -0.986 0.528) 1.119 10.954 ( 0.000 -3.979 -0.779) 4.055 10.954 ( 0.000 -3.979 0.779) 4.055 11.250 ( 0.000 1.530 -2.184) 2.666 11.250 ( 0.000 1.530 2.184) 2.666 11.909 ( 0.000 1.013 -2.953) 3.122 11.909 ( 0.000 1.013 2.953) 3.122 12.094 ( 0.000 4.762 -2.992) 5.624 12.094 ( 0.000 4.762 2.992) 5.624 12.440 ( 0.000 -4.749 -6.509) 8.057 12.440 ( 0.000 -4.749 6.509) 8.057 14.337 ( 0.000 1.741 -1.669) 2.411 14.337 ( 0.000 1.741 1.669) 2.411 14.632 ( 0.000 -1.281 -6.306) 6.435 14.632 ( 0.000 -1.281 6.306) 6.435 22.017 ( 0.000 -2.085 -3.883) 4.407 22.017 ( 0.000 -2.085 3.883) 4.407 22.270 ( 0.000 -0.428 -1.528) 1.587 22.270 ( 0.000 -0.428 1.528) 1.587 23.637 ( 0.000 -0.411 -1.241) 1.308 23.637 ( 0.000 -0.411 1.241) 1.308 23.982 ( 0.000 0.376 -1.209) 1.266 23.982 ( 0.000 0.376 1.209) 1.266 25.517 ( 0.000 2.497 -0.117) 2.499 25.517 ( 0.000 2.497 0.117) 2.499 25.816 ( 0.000 -2.492 -4.838) 5.442 25.816 ( 0.000 -2.492 4.838) 5.442 25.972 ( 0.000 2.118 -0.284) 2.137 25.972 ( 0.000 2.118 0.284) 2.137 26.641 ( 0.000 -2.026 -2.352) 3.104 26.641 ( 0.000 -2.026 2.352) 3.104 ======================= Grid point 275 (90/96) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.216 19.720 -1.038) 19.749 1.265 ( 0.216 19.720 1.038) 19.749 2.257 ( -9.059 -4.820 -12.627) 16.271 2.257 ( -9.059 -4.820 12.627) 16.271 2.596 ( 3.958 3.391 -13.605) 14.569 2.596 ( 3.958 3.391 13.605) 14.569 3.026 ( 1.637 -8.217 -2.431) 8.724 3.026 ( 1.637 -8.217 2.431) 8.724 3.405 ( -6.539 1.542 -6.166) 9.119 3.405 ( -6.539 1.542 6.166) 9.119 3.544 ( -5.475 -2.490 -0.952) 6.089 3.544 ( -5.475 -2.490 0.952) 6.089 3.857 ( -0.784 -1.273 -2.791) 3.166 3.857 ( -0.784 -1.273 2.791) 3.166 4.088 ( 1.880 -0.385 -2.483) 3.138 4.088 ( 1.880 -0.385 2.483) 3.138 4.254 ( 2.204 2.741 -7.092) 7.916 4.254 ( 2.204 2.741 7.092) 7.916 4.859 ( 7.336 0.667 -4.586) 8.677 4.859 ( 7.336 0.667 4.586) 8.677 5.038 ( 6.070 -4.080 -2.984) 7.899 5.038 ( 6.070 -4.080 2.984) 7.899 5.523 ( -1.460 7.882 -1.572) 8.169 5.523 ( -1.460 7.882 1.572) 8.169 5.558 ( 1.599 0.669 -2.407) 2.966 5.558 ( 1.599 0.669 2.407) 2.966 6.018 ( 1.242 1.936 -1.820) 2.933 6.018 ( 1.242 1.936 1.820) 2.933 6.271 ( -4.439 -3.973 -5.281) 7.962 6.271 ( -4.439 -3.973 5.281) 7.962 6.669 ( 4.646 -13.591 -6.960) 15.960 6.669 ( 4.646 -13.591 6.960) 15.960 8.161 ( -4.792 13.023 -3.432) 14.294 8.161 ( -4.792 13.023 3.432) 14.294 8.890 ( -2.721 -9.366 -3.902) 10.505 8.890 ( -2.721 -9.366 3.903) 10.505 9.567 ( 2.107 4.046 -1.615) 4.840 9.567 ( 2.107 4.046 1.615) 4.840 9.962 ( 1.500 -3.438 -3.078) 4.852 9.962 ( 1.500 -3.438 3.078) 4.852 10.778 ( -5.801 1.220 -0.620) 5.960 10.778 ( -5.801 1.220 0.620) 5.960 11.018 ( 3.604 -5.132 -0.277) 6.277 11.018 ( 3.604 -5.132 0.277) 6.277 11.268 ( 2.025 1.723 -2.111) 3.395 11.268 ( 2.025 1.723 2.111) 3.395 11.843 ( -5.924 -0.829 -1.633) 6.201 11.843 ( -5.924 -0.829 1.633) 6.201 12.139 ( 3.806 4.700 -3.554) 7.015 12.139 ( 3.806 4.700 3.554) 7.015 12.444 ( 0.202 -3.630 -5.814) 6.857 12.444 ( 0.202 -3.630 5.814) 6.857 14.326 ( -0.988 2.842 -1.874) 3.545 14.326 ( -0.988 2.842 1.874) 3.545 14.641 ( 0.825 -2.117 -5.322) 5.787 14.641 ( 0.825 -2.117 5.322) 5.787 22.015 ( -0.235 -0.972 -4.318) 4.432 22.015 ( -0.235 -0.972 4.318) 4.432 22.267 ( -0.323 -1.511 -3.014) 3.387 22.267 ( -0.323 -1.511 3.014) 3.387 23.669 ( 3.328 -0.172 -1.361) 3.600 23.669 ( 3.328 -0.172 1.361) 3.600 23.970 ( -1.293 0.383 -1.335) 1.898 23.970 ( -1.293 0.383 1.335) 1.898 25.506 ( -1.009 1.905 -0.334) 2.181 25.506 ( -1.009 1.905 0.334) 2.181 25.816 ( -0.194 -4.585 -4.121) 6.168 25.816 ( -0.194 -4.585 4.121) 6.168 25.993 ( 2.238 4.718 -0.689) 5.267 25.993 ( 2.238 4.718 0.689) 5.267 26.622 ( -1.931 -2.198 -2.003) 3.545 26.622 ( -1.931 -2.198 2.003) 3.545 ======================= Grid point 277 (91/96) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.462 19.555 -0.492) 19.567 1.271 ( 0.462 19.555 0.492) 19.567 2.095 ( -7.303 -2.882 -8.386) 11.487 2.095 ( -7.303 -2.882 8.386) 11.487 2.655 ( 2.300 4.476 -8.961) 10.278 2.655 ( 2.300 4.476 8.961) 10.278 3.066 ( 2.636 -8.088 -3.090) 9.051 3.066 ( 2.636 -8.088 3.090) 9.051 3.315 ( -2.951 -3.108 -3.609) 5.603 3.315 ( -2.951 -3.108 3.609) 5.603 3.406 ( -8.200 -4.225 -4.717) 10.361 3.406 ( -8.200 -4.225 4.717) 10.361 3.836 ( -1.076 -1.426 -1.193) 2.148 3.836 ( -1.076 -1.426 1.193) 2.148 4.052 ( -2.858 -5.817 -3.186) 7.222 4.052 ( -2.858 -5.817 3.186) 7.222 4.387 ( 8.096 11.741 -4.963) 15.100 4.387 ( 8.096 11.741 4.963) 15.100 4.961 ( 2.333 5.829 -4.413) 7.675 4.961 ( 2.333 5.829 4.413) 7.675 5.168 ( 7.677 0.247 -5.610) 9.511 5.168 ( 7.677 0.247 5.610) 9.511 5.473 ( -2.696 2.155 -5.810) 6.758 5.473 ( -2.696 2.155 5.810) 6.758 5.661 ( 8.523 -2.678 -2.202) 9.202 5.661 ( 8.523 -2.678 2.202) 9.202 6.032 ( -1.165 -0.629 -1.769) 2.210 6.032 ( -1.165 -0.629 1.769) 2.210 6.132 ( -8.725 -1.560 -7.668) 11.719 6.132 ( -8.725 -1.560 7.668) 11.719 6.787 ( 6.594 -13.493 -4.943) 15.810 6.787 ( 6.594 -13.493 4.943) 15.810 8.064 ( -4.771 13.211 -2.956) 14.354 8.064 ( -4.771 13.211 2.956) 14.354 8.828 ( -3.369 -10.904 -2.427) 11.668 8.828 ( -3.369 -10.904 2.427) 11.668 9.607 ( 1.854 5.756 -0.792) 6.099 9.607 ( 1.854 5.756 0.792) 6.099 9.995 ( 1.737 -5.438 -2.099) 6.082 9.995 ( 1.737 -5.438 2.099) 6.082 10.689 ( -3.536 4.005 -0.754) 5.395 10.689 ( -3.536 4.005 0.754) 5.395 11.058 ( 0.936 -5.206 -0.245) 5.296 11.058 ( 0.936 -5.206 0.245) 5.296 11.318 ( 2.911 2.025 -1.519) 3.858 11.318 ( 2.911 2.025 1.519) 3.858 11.731 ( -5.430 -4.390 -0.469) 6.998 11.731 ( -5.430 -4.390 0.469) 6.998 12.212 ( 3.747 4.607 -3.214) 6.753 12.212 ( 3.747 4.607 3.214) 6.753 12.439 ( -0.770 -2.054 -4.056) 4.611 12.439 ( -0.770 -2.054 4.056) 4.611 14.307 ( -0.878 4.823 -1.407) 5.100 14.307 ( -0.878 4.823 1.407) 5.100 14.657 ( 0.717 -3.555 -2.948) 4.674 14.657 ( 0.717 -3.555 2.948) 4.674 22.010 ( -0.281 1.206 -3.326) 3.549 22.010 ( -0.281 1.206 3.326) 3.549 22.261 ( -0.223 -3.623 -2.803) 4.587 22.261 ( -0.223 -3.624 2.803) 4.587 23.745 ( 4.440 0.517 -1.465) 4.704 23.745 ( 4.440 0.517 1.465) 4.704 23.935 ( -2.457 0.190 -1.450) 2.860 23.935 ( -2.457 0.190 1.450) 2.860 25.488 ( -0.783 0.848 -0.248) 1.181 25.488 ( -0.783 0.848 0.248) 1.181 25.808 ( -0.531 -7.438 -2.233) 7.784 25.808 ( -0.531 -7.438 2.233) 7.784 26.043 ( 2.648 8.718 -0.458) 9.123 26.043 ( 2.648 8.718 0.458) 9.123 26.580 ( -2.235 -2.809 -1.115) 3.759 26.580 ( -2.235 -2.809 1.115) 3.759 ======================= Grid point 279 (92/96) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 19.462 0.000) 19.462 1.277 ( 0.000 19.462 0.000) 19.462 2.023 ( 0.000 -2.036 -0.000) 2.036 2.023 ( 0.000 -2.036 -0.000) 2.036 2.677 ( -0.000 4.979 0.000) 4.979 2.677 ( 0.000 4.979 0.000) 4.979 3.103 ( 0.000 -8.929 0.000) 8.929 3.103 ( -0.000 -8.929 0.000) 8.929 3.293 ( -0.000 -3.432 0.000) 3.432 3.293 ( 0.000 -3.432 0.000) 3.432 3.308 ( -0.000 -5.582 -0.000) 5.582 3.308 ( 0.000 -5.582 -0.000) 5.582 3.825 ( -0.000 -1.198 0.000) 1.198 3.825 ( 0.000 -1.198 0.000) 1.198 4.022 ( -0.000 -5.916 0.000) 5.916 4.022 ( 0.000 -5.916 0.000) 5.916 4.473 ( -0.000 13.334 0.000) 13.334 4.473 ( 0.000 13.334 0.000) 13.334 4.966 ( -0.000 8.519 0.000) 8.519 4.966 ( 0.000 8.519 0.000) 8.519 5.265 ( -0.000 4.422 0.000) 4.422 5.265 ( 0.000 4.422 0.000) 4.422 5.437 ( -0.000 -4.772 0.000) 4.772 5.437 ( 0.000 -4.773 0.000) 4.773 5.817 ( -0.000 -0.773 -0.000) 0.773 5.817 ( 0.000 -0.773 -0.000) 0.773 5.914 ( -0.000 -8.967 0.000) 8.967 5.914 ( 0.000 -8.967 0.000) 8.967 6.078 ( -0.000 4.888 0.000) 4.888 6.078 ( 0.000 4.888 0.000) 4.888 6.856 ( -0.000 -13.676 0.000) 13.676 6.856 ( 0.000 -13.676 0.000) 13.676 8.016 ( -0.000 13.186 0.000) 13.186 8.016 ( 0.000 13.186 0.000) 13.186 8.792 ( -0.000 -11.484 0.000) 11.484 8.792 ( 0.000 -11.484 0.000) 11.484 9.625 ( -0.000 6.470 0.000) 6.470 9.625 ( 0.000 6.470 0.000) 6.470 10.013 ( -0.000 -6.451 0.000) 6.451 10.013 ( 0.000 -6.451 0.000) 6.451 10.656 ( 0.000 5.166 0.000) 5.166 10.656 ( 0.000 5.166 0.000) 5.166 11.065 ( 0.000 -4.930 0.000) 4.930 11.065 ( 0.000 -4.930 0.000) 4.930 11.351 ( -0.000 2.729 0.000) 2.729 11.351 ( 0.000 2.729 0.000) 2.729 11.674 ( -0.000 -6.598 0.000) 6.598 11.674 ( 0.000 -6.598 0.000) 6.598 12.253 ( -0.000 4.801 0.000) 4.801 12.253 ( 0.000 4.801 0.000) 4.801 12.427 ( -0.000 -1.695 0.000) 1.695 12.427 ( 0.000 -1.695 0.000) 1.695 14.299 ( -0.000 5.737 0.000) 5.737 14.299 ( 0.000 5.737 0.000) 5.737 14.664 ( -0.000 -4.191 0.000) 4.191 14.664 ( 0.000 -4.191 0.000) 4.191 22.007 ( -0.000 2.257 0.000) 2.257 22.007 ( 0.000 2.257 0.000) 2.257 22.259 ( -0.000 -4.639 0.000) 4.639 22.259 ( 0.000 -4.639 0.000) 4.639 23.801 ( -0.000 1.427 0.000) 1.427 23.801 ( 0.000 1.427 0.000) 1.427 23.899 ( -0.000 -0.470 0.000) 0.470 23.899 ( 0.000 -0.470 0.000) 0.470 25.481 ( -0.000 0.367 0.000) 0.367 25.481 ( 0.000 0.367 0.000) 0.367 25.802 ( -0.000 -8.429 0.000) 8.429 25.802 ( 0.000 -8.429 0.000) 8.429 26.071 ( -0.000 10.457 0.000) 10.457 26.071 ( 0.000 10.457 0.000) 10.457 26.556 ( 0.000 -3.340 0.000) 3.340 26.556 ( 0.000 -3.340 0.000) 3.340 ======================= Grid point 287 (93/96) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 11.894 -0.755) 11.918 1.623 ( 0.000 11.894 0.755) 11.918 2.204 ( 0.000 -6.924 -2.206) 7.267 2.204 ( 0.000 -6.924 2.206) 7.267 2.643 ( 0.000 5.938 -5.659) 8.203 2.643 ( 0.000 5.938 5.659) 8.203 2.825 ( 0.000 -8.145 -4.348) 9.232 2.825 ( 0.000 -8.145 4.348) 9.232 3.509 ( 0.000 -1.057 -3.381) 3.543 3.509 ( 0.000 -1.057 3.381) 3.543 3.592 ( 0.000 0.271 -1.951) 1.969 3.592 ( 0.000 0.271 1.951) 1.969 3.840 ( 0.000 -0.073 -0.895) 0.898 3.840 ( 0.000 -0.073 0.895) 0.898 4.173 ( 0.000 1.353 -0.453) 1.427 4.173 ( 0.000 1.353 0.453) 1.427 4.287 ( 0.000 10.499 -4.002) 11.236 4.287 ( 0.000 10.499 4.002) 11.236 4.582 ( 0.000 -12.875 -1.307) 12.942 4.582 ( 0.000 -12.875 1.307) 12.942 4.920 ( 0.000 -0.643 -0.058) 0.646 4.920 ( 0.000 -0.643 0.058) 0.646 5.574 ( 0.000 1.774 -0.175) 1.782 5.574 ( 0.000 1.774 0.175) 1.782 5.798 ( 0.000 10.688 -4.229) 11.494 5.798 ( 0.000 10.688 4.229) 11.494 6.036 ( 0.000 0.983 -2.042) 2.267 6.036 ( 0.000 0.983 2.042) 2.267 6.144 ( 0.000 -10.264 -7.198) 12.536 6.144 ( 0.000 -10.264 7.198) 12.536 6.433 ( 0.000 -4.032 -1.079) 4.173 6.433 ( 0.000 -4.032 1.079) 4.173 8.468 ( 0.000 10.987 -3.845) 11.640 8.468 ( 0.000 10.987 3.845) 11.640 8.723 ( 0.000 -9.411 -4.513) 10.438 8.723 ( 0.000 -9.411 4.513) 10.438 9.601 ( 0.000 1.789 -0.767) 1.947 9.601 ( 0.000 1.789 0.767) 1.947 9.899 ( 0.000 -1.593 -0.994) 1.878 9.899 ( 0.000 -1.593 0.994) 1.878 10.847 ( 0.000 -0.423 -0.179) 0.459 10.847 ( 0.000 -0.423 0.179) 0.459 10.890 ( 0.000 -1.669 -0.258) 1.689 10.890 ( 0.000 -1.669 0.258) 1.689 11.272 ( 0.000 0.489 -0.791) 0.930 11.272 ( 0.000 0.489 0.791) 0.930 11.926 ( 0.000 0.451 -1.149) 1.235 11.926 ( 0.000 0.451 1.149) 1.235 12.196 ( 0.000 4.237 -3.162) 5.286 12.196 ( 0.000 4.237 3.162) 5.286 12.341 ( 0.000 -4.089 -3.841) 5.610 12.341 ( 0.000 -4.089 3.841) 5.610 14.362 ( 0.000 0.621 -1.468) 1.594 14.362 ( 0.000 0.621 1.468) 1.594 14.611 ( 0.000 -0.551 -2.789) 2.843 14.611 ( 0.000 -0.551 2.789) 2.843 21.983 ( 0.000 -0.913 -1.339) 1.621 21.983 ( 0.000 -0.913 1.339) 1.621 22.263 ( 0.000 -0.178 -0.607) 0.632 22.263 ( 0.000 -0.178 0.607) 0.632 23.630 ( 0.000 -0.180 -0.417) 0.454 23.630 ( 0.000 -0.180 0.417) 0.454 23.989 ( 0.000 0.223 -0.493) 0.542 23.989 ( 0.000 0.223 0.493) 0.542 25.588 ( 0.000 4.012 -1.344) 4.231 25.588 ( 0.000 4.012 1.344) 4.231 25.713 ( 0.000 -5.345 -3.099) 6.179 25.713 ( 0.000 -5.345 3.099) 6.179 26.043 ( 0.000 2.535 -0.323) 2.556 26.043 ( 0.000 2.535 0.323) 2.556 26.602 ( 0.000 -1.221 -0.975) 1.562 26.602 ( 0.000 -1.221 0.975) 1.562 ======================= Grid point 289 (94/96) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.448 12.396 -1.024) 12.447 1.627 ( 0.448 12.396 1.024) 12.447 2.118 ( -7.718 -6.920 -4.700) 11.382 2.118 ( -7.718 -6.920 4.700) 11.382 2.694 ( 4.304 5.933 -10.146) 12.517 2.694 ( 4.304 5.933 10.146) 12.517 2.850 ( 2.597 -7.958 -6.292) 10.472 2.850 ( 2.597 -7.958 6.292) 10.472 3.432 ( -7.869 0.705 -7.413) 10.834 3.432 ( -7.869 0.705 7.413) 10.834 3.492 ( -8.697 -1.772 -3.323) 9.477 3.492 ( -8.697 -1.772 3.323) 9.477 3.835 ( -0.622 0.200 -0.758) 1.001 3.835 ( -0.622 0.200 0.758) 1.001 4.041 ( -7.440 -2.360 -1.740) 7.997 4.041 ( -7.440 -2.360 1.740) 7.997 4.457 ( 12.476 13.032 -5.578) 18.884 4.457 ( 12.476 13.032 5.578) 18.884 4.737 ( 12.883 -11.536 -3.750) 17.695 4.737 ( 12.883 -11.536 3.750) 17.695 4.974 ( 6.050 -0.818 -0.634) 6.138 4.974 ( 6.050 -0.818 0.634) 6.138 5.556 ( -2.347 1.306 -0.992) 2.863 5.556 ( -2.347 1.306 0.992) 2.863 5.753 ( -3.619 8.437 -4.394) 10.178 5.753 ( -3.619 8.438 4.394) 10.178 6.032 ( -1.952 -1.486 -0.926) 2.622 6.032 ( -1.952 -1.486 0.926) 2.622 6.174 ( 3.082 -3.306 -6.444) 7.871 6.174 ( 3.082 -3.306 6.444) 7.871 6.444 ( 1.874 -6.318 -2.540) 7.063 6.444 ( 1.874 -6.318 2.540) 7.063 8.425 ( -4.325 11.463 -4.064) 12.909 8.425 ( -4.325 11.463 4.064) 12.909 8.680 ( -4.263 -10.160 -4.293) 11.825 8.680 ( -4.263 -10.160 4.293) 11.825 9.637 ( 3.507 2.136 -0.699) 4.165 9.637 ( 3.507 2.136 0.699) 4.165 9.896 ( -0.322 -2.137 -1.020) 2.390 9.896 ( -0.322 -2.137 1.020) 2.390 10.822 ( -1.772 2.898 -0.436) 3.424 10.822 ( -1.772 2.898 0.436) 3.424 10.912 ( 1.417 -4.512 -0.361) 4.743 10.912 ( 1.417 -4.512 0.361) 4.743 11.294 ( 2.411 0.616 -0.840) 2.626 11.294 ( 2.411 0.616 0.840) 2.626 11.832 ( -8.621 -0.229 -0.569) 8.643 11.832 ( -8.621 -0.229 0.569) 8.643 12.227 ( 2.818 3.083 -2.826) 5.043 12.227 ( 2.818 3.083 2.826) 5.043 12.373 ( 2.479 -2.608 -3.104) 4.752 12.373 ( 2.479 -2.608 3.104) 4.752 14.375 ( 1.342 1.427 -1.807) 2.665 14.375 ( 1.342 1.427 1.807) 2.665 14.602 ( -1.046 -1.225 -2.741) 3.180 14.602 ( -1.046 -1.225 2.741) 3.180 21.998 ( 1.587 -0.472 -1.611) 2.310 21.998 ( 1.587 -0.472 1.611) 2.310 22.243 ( -2.100 -0.609 -1.162) 2.476 22.243 ( -2.100 -0.609 1.162) 2.476 23.667 ( 3.814 -0.041 -0.508) 3.848 23.667 ( 3.814 -0.041 0.508) 3.848 23.977 ( -1.373 0.196 -0.552) 1.492 23.977 ( -1.373 0.196 0.552) 1.492 25.571 ( -1.697 4.100 -1.344) 4.637 25.571 ( -1.697 4.100 1.344) 4.637 25.689 ( -2.114 -5.986 -2.696) 6.897 25.689 ( -2.114 -5.986 2.696) 6.897 26.097 ( 5.199 3.286 -0.284) 6.157 26.097 ( 5.199 3.286 0.284) 6.157 26.577 ( -2.707 -1.534 -0.861) 3.228 26.577 ( -2.707 -1.534 0.861) 3.228 ======================= Grid point 291 (95/96) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.735 13.795 -1.171) 13.865 1.638 ( 0.735 13.795 1.171) 13.865 1.976 ( -6.615 -7.859 -4.023) 11.031 1.976 ( -6.615 -7.859 4.023) 11.031 2.771 ( 3.777 6.208 -9.325) 11.822 2.771 ( 3.777 6.208 9.325) 11.822 2.910 ( 3.493 -6.671 -6.685) 10.070 2.910 ( 3.493 -6.671 6.685) 10.070 3.278 ( -7.231 0.110 -8.185) 10.922 3.278 ( -7.231 0.110 8.185) 10.922 3.323 ( -8.679 -3.355 -7.545) 11.980 3.323 ( -8.679 -3.355 7.545) 11.980 3.823 ( -0.439 0.883 -0.882) 1.323 3.823 ( -0.439 0.883 0.882) 1.323 3.940 ( -3.788 -4.206 -2.040) 6.017 3.940 ( -3.788 -4.206 2.040) 6.017 4.680 ( 10.608 14.332 -4.978) 18.513 4.680 ( 10.608 14.332 4.978) 18.513 4.955 ( 9.354 -8.010 -4.021) 12.955 4.955 ( 9.354 -8.010 4.021) 12.955 5.125 ( 9.341 -1.398 -2.345) 9.732 5.125 ( 9.341 -1.398 2.345) 9.732 5.473 ( -6.883 0.057 -1.966) 7.159 5.473 ( -6.883 0.057 1.966) 7.159 5.713 ( 0.468 3.727 -2.558) 4.544 5.713 ( 0.468 3.727 2.558) 4.544 5.940 ( -7.644 -4.497 -0.596) 8.889 5.940 ( -7.644 -4.497 0.596) 8.889 6.236 ( 3.187 8.649 -2.144) 9.463 6.236 ( 3.187 8.649 2.144) 9.463 6.510 ( 4.368 -11.951 -3.586) 13.220 6.510 ( 4.368 -11.951 3.586) 13.220 8.335 ( -4.555 12.184 -3.121) 13.377 8.335 ( -4.555 12.184 3.121) 13.377 8.591 ( -4.482 -11.364 -2.969) 12.571 8.591 ( -4.482 -11.364 2.969) 12.571 9.709 ( 3.761 3.604 -0.579) 5.241 9.709 ( 3.761 3.604 0.579) 5.241 9.886 ( -0.796 -4.028 -0.909) 4.206 9.886 ( -0.796 -4.028 0.909) 4.206 10.795 ( -1.058 5.832 -0.524) 5.950 10.795 ( -1.058 5.832 0.524) 5.950 10.930 ( 0.532 -6.432 -0.444) 6.469 10.930 ( 0.532 -6.432 0.444) 6.469 11.359 ( 4.580 1.318 -0.865) 4.843 11.359 ( 4.580 1.318 0.865) 4.843 11.660 ( -9.181 -1.954 -0.327) 9.392 11.660 ( -9.181 -1.954 0.327) 9.392 12.289 ( 3.649 2.318 -2.241) 4.870 12.289 ( 3.649 2.318 2.241) 4.870 12.400 ( 0.126 -1.373 -2.260) 2.647 12.400 ( 0.126 -1.373 2.260) 2.647 14.407 ( 1.872 3.862 -1.864) 4.679 14.407 ( 1.872 3.862 1.864) 4.679 14.576 ( -1.559 -3.391 -2.244) 4.355 14.576 ( -1.559 -3.391 2.244) 4.355 22.037 ( 2.449 1.075 -1.843) 3.248 22.037 ( 2.449 1.075 1.843) 3.248 22.194 ( -2.901 -2.132 -1.649) 3.960 22.194 ( -2.901 -2.132 1.649) 3.960 23.757 ( 5.464 0.383 -0.641) 5.514 23.757 ( 5.464 0.383 0.641) 5.514 23.936 ( -3.063 0.002 -0.650) 3.131 23.936 ( -3.063 0.002 0.650) 3.131 25.538 ( -1.527 3.871 -0.837) 4.245 25.538 ( -1.527 3.871 0.837) 4.245 25.652 ( -1.658 -6.652 -1.538) 7.026 25.652 ( -1.658 -6.652 1.538) 7.026 26.208 ( 6.191 5.469 -0.241) 8.264 26.208 ( 6.191 5.469 0.241) 8.264 26.509 ( -4.348 -3.063 -0.569) 5.349 26.509 ( -4.348 -3.063 0.569) 5.349 ======================= Grid point 293 (96/96) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 15.145 0.000) 15.145 1.648 ( 0.000 15.145 0.000) 15.145 1.909 ( -0.000 -9.053 0.000) 9.053 1.909 ( 0.000 -9.053 0.000) 9.053 2.813 ( -0.000 7.108 0.000) 7.108 2.813 ( 0.000 7.108 0.000) 7.108 2.951 ( -0.000 -5.931 0.000) 5.931 2.951 ( 0.000 -5.931 0.000) 5.931 3.211 ( -0.000 -2.425 0.000) 2.425 3.211 ( 0.000 -2.425 0.000) 2.425 3.223 ( -0.000 -2.808 -0.000) 2.808 3.223 ( 0.000 -2.808 -0.000) 2.808 3.821 ( -0.000 1.808 0.000) 1.808 3.821 ( 0.000 1.808 0.000) 1.808 3.903 ( -0.000 -5.268 0.000) 5.268 3.903 ( 0.000 -5.268 0.000) 5.268 4.793 ( -0.000 15.335 0.000) 15.335 4.793 ( 0.000 15.335 0.000) 15.335 5.037 ( -0.000 -4.346 0.000) 4.346 5.037 ( 0.000 -4.346 0.000) 4.346 5.304 ( -0.000 -0.270 0.000) 0.270 5.304 ( 0.000 -0.270 0.000) 0.270 5.315 ( -0.000 -3.831 -0.000) 3.831 5.315 ( 0.000 -3.831 -0.000) 3.831 5.788 ( -0.000 -1.269 -0.000) 1.269 5.788 ( 0.000 -1.269 -0.000) 1.269 5.792 ( -0.000 -2.328 0.000) 2.328 5.792 ( 0.000 -2.328 0.000) 2.328 6.270 ( -0.000 12.259 0.000) 12.259 6.270 ( 0.000 12.259 0.000) 12.259 6.558 ( -0.000 -14.185 0.000) 14.185 6.558 ( 0.000 -14.185 0.000) 14.185 8.288 ( -0.000 12.435 0.000) 12.435 8.288 ( 0.000 12.435 0.000) 12.435 8.545 ( 0.000 -11.831 0.000) 11.831 8.545 ( 0.000 -11.831 0.000) 11.831 9.750 ( -0.000 5.619 0.000) 5.619 9.750 ( 0.000 5.619 0.000) 5.619 9.875 ( -0.000 -6.271 0.000) 6.271 9.875 ( 0.000 -6.271 0.000) 6.271 10.785 ( 0.000 6.832 0.000) 6.832 10.785 ( 0.000 6.832 0.000) 6.832 10.934 ( -0.000 -6.920 0.000) 6.920 10.934 ( 0.000 -6.920 0.000) 6.920 11.432 ( -0.000 4.662 0.000) 4.662 11.432 ( 0.000 4.662 0.000) 4.662 11.543 ( -0.000 -5.746 0.000) 5.746 11.543 ( 0.000 -5.746 0.000) 5.746 12.336 ( -0.000 3.098 0.000) 3.098 12.336 ( 0.000 3.098 0.000) 3.098 12.389 ( -0.000 -2.000 0.000) 2.000 12.389 ( 0.000 -2.000 0.000) 2.000 14.429 ( -0.000 6.285 0.000) 6.285 14.429 ( 0.000 6.285 0.000) 6.285 14.558 ( -0.000 -5.677 0.000) 5.677 14.558 ( 0.000 -5.677 0.000) 5.677 22.069 ( -0.000 3.608 0.000) 3.608 22.069 ( 0.000 3.608 0.000) 3.608 22.158 ( -0.000 -4.651 0.000) 4.651 22.158 ( 0.000 -4.651 0.000) 4.651 23.839 ( -0.000 2.021 0.000) 2.021 23.839 ( 0.000 2.021 0.000) 2.021 23.878 ( -0.000 -1.516 0.000) 1.516 23.878 ( 0.000 -1.516 0.000) 1.516 25.523 ( -0.000 3.659 0.000) 3.659 25.523 ( 0.000 3.659 0.000) 3.659 25.635 ( 0.000 -6.831 0.000) 6.831 25.635 ( -0.000 -6.831 0.000) 6.831 26.283 ( -0.000 9.193 0.000) 9.193 26.283 ( 0.000 9.193 0.000) 9.193 26.451 ( -0.000 -6.523 0.000) 6.523 26.451 ( 0.000 -6.523 0.000) 6.523 =================== 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 3/30240 10.0 1.727 6.559 1.611 0.000 0.000 -0.000 3/30240 20.0 2.636 2.891 1.039 0.000 0.000 -0.000 3/30240 30.0 2.334 1.810 0.807 0.000 0.000 -0.000 3/30240 40.0 1.939 1.387 0.687 0.000 0.000 0.000 3/30240 50.0 1.644 1.184 0.611 0.000 0.000 0.000 3/30240 60.0 1.433 1.065 0.556 0.000 0.000 0.000 3/30240 70.0 1.274 0.983 0.513 0.000 0.000 0.000 3/30240 80.0 1.150 0.917 0.478 0.000 0.000 0.000 3/30240 90.0 1.050 0.861 0.448 0.000 0.000 0.000 3/30240 100.0 0.966 0.812 0.421 0.000 0.000 0.000 3/30240 110.0 0.895 0.768 0.397 0.000 0.000 0.000 3/30240 120.0 0.835 0.729 0.376 0.000 0.000 0.000 3/30240 130.0 0.782 0.693 0.358 0.000 0.000 0.000 3/30240 140.0 0.737 0.661 0.341 0.000 0.000 0.000 3/30240 150.0 0.696 0.632 0.326 0.000 0.000 0.000 3/30240 160.0 0.661 0.605 0.312 0.000 0.000 0.000 3/30240 170.0 0.629 0.581 0.300 0.000 0.000 0.000 3/30240 180.0 0.601 0.559 0.289 0.000 0.000 0.000 3/30240 190.0 0.575 0.538 0.279 0.000 0.000 0.000 3/30240 200.0 0.552 0.520 0.270 0.000 0.000 0.000 3/30240 210.0 0.531 0.503 0.262 0.000 0.000 0.000 3/30240 220.0 0.512 0.487 0.254 0.000 0.000 0.000 3/30240 230.0 0.494 0.472 0.247 0.000 0.000 0.000 3/30240 240.0 0.478 0.458 0.241 0.000 0.000 0.000 3/30240 250.0 0.462 0.445 0.235 0.000 0.000 0.000 3/30240 260.0 0.448 0.433 0.229 0.000 0.000 0.000 3/30240 270.0 0.435 0.422 0.224 0.000 0.000 0.000 3/30240 280.0 0.423 0.411 0.219 0.000 0.000 0.000 3/30240 290.0 0.411 0.401 0.215 0.000 0.000 0.000 3/30240 300.0 0.401 0.391 0.210 0.000 0.000 0.000 3/30240 310.0 0.390 0.382 0.206 0.000 0.000 0.000 3/30240 320.0 0.381 0.374 0.202 0.000 0.000 0.000 3/30240 330.0 0.371 0.366 0.198 0.000 0.000 0.000 3/30240 340.0 0.363 0.358 0.194 0.000 0.000 0.000 3/30240 350.0 0.354 0.350 0.191 0.000 0.000 0.000 3/30240 360.0 0.346 0.343 0.187 0.000 0.000 0.000 3/30240 370.0 0.339 0.336 0.184 0.000 0.000 0.000 3/30240 380.0 0.332 0.330 0.181 0.000 0.000 0.000 3/30240 390.0 0.325 0.323 0.178 0.000 0.000 0.000 3/30240 400.0 0.318 0.317 0.175 0.000 0.000 0.000 3/30240 410.0 0.312 0.311 0.172 0.000 0.000 0.000 3/30240 420.0 0.305 0.305 0.169 0.000 0.000 0.000 3/30240 430.0 0.299 0.300 0.167 0.000 0.000 0.000 3/30240 440.0 0.294 0.295 0.164 0.000 0.000 0.000 3/30240 450.0 0.288 0.290 0.161 0.000 0.000 0.000 3/30240 460.0 0.283 0.285 0.159 0.000 0.000 0.000 3/30240 470.0 0.278 0.280 0.157 0.000 0.000 0.000 3/30240 480.0 0.273 0.275 0.154 0.000 0.000 0.000 3/30240 490.0 0.268 0.271 0.152 0.000 0.000 0.000 3/30240 500.0 0.264 0.266 0.150 0.000 0.000 0.000 3/30240 510.0 0.259 0.262 0.148 0.000 0.000 0.000 3/30240 520.0 0.255 0.258 0.146 0.000 0.000 0.000 3/30240 530.0 0.251 0.254 0.143 0.000 0.000 0.000 3/30240 540.0 0.247 0.250 0.141 0.000 0.000 0.000 3/30240 550.0 0.243 0.246 0.140 0.000 0.000 -0.000 3/30240 560.0 0.239 0.243 0.138 0.000 0.000 -0.000 3/30240 570.0 0.235 0.239 0.136 0.000 0.000 -0.000 3/30240 580.0 0.232 0.236 0.134 0.000 0.000 -0.000 3/30240 590.0 0.228 0.232 0.132 0.000 0.000 -0.000 3/30240 600.0 0.225 0.229 0.130 0.000 0.000 -0.000 3/30240 610.0 0.222 0.226 0.129 0.000 0.000 -0.000 3/30240 620.0 0.219 0.223 0.127 0.000 0.000 -0.000 3/30240 630.0 0.215 0.220 0.125 0.000 0.000 -0.000 3/30240 640.0 0.212 0.217 0.124 0.000 0.000 -0.000 3/30240 650.0 0.210 0.214 0.122 0.000 0.000 -0.000 3/30240 660.0 0.207 0.211 0.121 0.000 0.000 -0.000 3/30240 670.0 0.204 0.208 0.119 0.000 0.000 -0.000 3/30240 680.0 0.201 0.206 0.118 0.000 0.000 -0.000 3/30240 690.0 0.199 0.203 0.117 0.000 0.000 -0.000 3/30240 700.0 0.196 0.201 0.115 0.000 0.000 -0.000 3/30240 710.0 0.193 0.198 0.114 0.000 0.000 -0.000 3/30240 720.0 0.191 0.196 0.113 0.000 0.000 -0.000 3/30240 730.0 0.189 0.193 0.111 0.000 0.000 -0.000 3/30240 740.0 0.186 0.191 0.110 0.000 0.000 -0.000 3/30240 750.0 0.184 0.189 0.109 0.000 0.000 -0.000 3/30240 760.0 0.182 0.187 0.108 0.000 0.000 -0.000 3/30240 770.0 0.180 0.184 0.106 0.000 0.000 -0.000 3/30240 780.0 0.178 0.182 0.105 0.000 0.000 -0.000 3/30240 790.0 0.175 0.180 0.104 0.000 0.000 -0.000 3/30240 800.0 0.173 0.178 0.103 0.000 0.000 -0.000 3/30240 810.0 0.171 0.176 0.102 0.000 0.000 -0.000 3/30240 820.0 0.169 0.174 0.101 0.000 0.000 -0.000 3/30240 830.0 0.168 0.172 0.100 0.000 0.000 -0.000 3/30240 840.0 0.166 0.170 0.099 0.000 0.000 -0.000 3/30240 850.0 0.164 0.169 0.098 0.000 0.000 -0.000 3/30240 860.0 0.162 0.167 0.097 0.000 0.000 -0.000 3/30240 870.0 0.160 0.165 0.096 0.000 0.000 -0.000 3/30240 880.0 0.159 0.163 0.095 0.000 0.000 -0.000 3/30240 890.0 0.157 0.162 0.094 0.000 0.000 -0.000 3/30240 900.0 0.155 0.160 0.093 0.000 0.000 -0.000 3/30240 910.0 0.154 0.158 0.092 0.000 0.000 -0.000 3/30240 920.0 0.152 0.157 0.091 0.000 0.000 -0.000 3/30240 930.0 0.151 0.155 0.090 0.000 0.000 -0.000 3/30240 940.0 0.149 0.154 0.089 0.000 0.000 -0.000 3/30240 950.0 0.148 0.152 0.089 0.000 0.000 -0.000 3/30240 960.0 0.146 0.151 0.088 0.000 0.000 -0.000 3/30240 970.0 0.145 0.149 0.087 0.000 0.000 -0.000 3/30240 980.0 0.143 0.148 0.086 0.000 0.000 -0.000 3/30240 990.0 0.142 0.147 0.085 0.000 0.000 -0.000 3/30240 1000.0 0.141 0.145 0.085 0.000 0.000 -0.000 3/30240 Thermal conductivity related properties were written into "kappa-m6710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:38:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|