----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.662974680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.267517380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.775718980000001 Atomic positions (fractional): *1 N 0.39744951303729 0.75000000000000 0.52827714998651 14.007 2 N 0.60255048696271 0.25000000000000 0.47172285001349 14.007 3 N 0.89744951303729 0.75000000000000 0.97172285001349 14.007 4 N 0.10255048696271 0.25000000000000 0.02827714998651 14.007 *5 N 0.00358777998740 0.75000000000000 0.72645527070398 14.007 6 N 0.99641222001260 0.25000000000000 0.27354472929602 14.007 7 N 0.50358777998740 0.75000000000000 0.77354472929602 14.007 8 N 0.49641222001260 0.25000000000000 0.22645527070398 14.007 *9 N 0.85568515386924 0.75000000000000 0.48137817011437 14.007 10 N 0.14431484613076 0.25000000000000 0.51862182988563 14.007 11 N 0.35568515386924 0.75000000000000 0.01862182988563 14.007 12 N 0.64431484613076 0.25000000000000 0.98137817011437 14.007 *13 N 0.73518987338172 0.25000000000000 0.71343385007173 14.007 14 N 0.26481012661828 0.75000000000000 0.28656614992827 14.007 15 N 0.23518987338172 0.25000000000000 0.78656614992827 14.007 16 N 0.76481012661828 0.75000000000000 0.21343385007173 14.007 *17 Zr 0.73249745848069 0.75000000000000 0.85088238448595 91.224 18 Zr 0.26750254151931 0.25000000000000 0.14911761551405 91.224 19 Zr 0.23249745848069 0.75000000000000 0.64911761551405 91.224 20 Zr 0.76750254151931 0.25000000000000 0.35088238448595 91.224 *21 Zr 0.60832116620432 0.75000000000000 0.59307180390435 91.224 22 Zr 0.39167883379568 0.25000000000000 0.40692819609565 91.224 23 Zr 0.10832116620432 0.75000000000000 0.90692819609565 91.224 24 Zr 0.89167883379568 0.25000000000000 0.09307180390435 91.224 *25 Zr 0.56882686872433 0.75000000000000 0.12347098175527 91.224 26 Zr 0.43117313127567 0.25000000000000 0.87652901824473 91.224 27 Zr 0.06882686872433 0.75000000000000 0.37652901824473 91.224 28 Zr 0.93117313127567 0.25000000000000 0.62347098175527 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.662974680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.267517380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.775718980000001 Atomic positions (fractional): *1 N 0.39744951303729 0.75000000000000 0.52827714998651 14.007 > 1 2 N 0.60255048696271 0.25000000000000 0.47172285001349 14.007 > 2 3 N 0.89744951303729 0.75000000000000 0.97172285001349 14.007 > 3 4 N 0.10255048696271 0.25000000000000 0.02827714998651 14.007 > 4 *5 N 0.00358777998740 0.75000000000000 0.72645527070398 14.007 > 5 6 N 0.99641222001260 0.25000000000000 0.27354472929602 14.007 > 6 7 N 0.50358777998740 0.75000000000000 0.77354472929602 14.007 > 7 8 N 0.49641222001260 0.25000000000000 0.22645527070398 14.007 > 8 *9 N 0.85568515386924 0.75000000000000 0.48137817011437 14.007 > 9 10 N 0.14431484613076 0.25000000000000 0.51862182988563 14.007 > 10 11 N 0.35568515386924 0.75000000000000 0.01862182988563 14.007 > 11 12 N 0.64431484613076 0.25000000000000 0.98137817011437 14.007 > 12 *13 N 0.73518987338172 0.25000000000000 0.71343385007173 14.007 > 13 14 N 0.26481012661828 0.75000000000000 0.28656614992827 14.007 > 14 15 N 0.23518987338172 0.25000000000000 0.78656614992827 14.007 > 15 16 N 0.76481012661828 0.75000000000000 0.21343385007173 14.007 > 16 *17 Zr 0.73249745848069 0.75000000000000 0.85088238448595 91.224 > 17 18 Zr 0.26750254151931 0.25000000000000 0.14911761551405 91.224 > 18 19 Zr 0.23249745848069 0.75000000000000 0.64911761551405 91.224 > 19 20 Zr 0.76750254151931 0.25000000000000 0.35088238448595 91.224 > 20 *21 Zr 0.60832116620432 0.75000000000000 0.59307180390435 91.224 > 21 22 Zr 0.39167883379568 0.25000000000000 0.40692819609565 91.224 > 22 23 Zr 0.10832116620432 0.75000000000000 0.90692819609565 91.224 > 23 24 Zr 0.89167883379568 0.25000000000000 0.09307180390435 91.224 > 24 *25 Zr 0.56882686872433 0.75000000000000 0.12347098175527 91.224 > 25 26 Zr 0.43117313127567 0.25000000000000 0.87652901824473 91.224 > 26 27 Zr 0.06882686872433 0.75000000000000 0.37652901824473 91.224 > 27 28 Zr 0.93117313127567 0.25000000000000 0.62347098175527 91.224 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.662974680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.802552140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.775718980000001 Atomic positions (fractional): *1 N 0.39744951303729 0.25000000000000 0.52827714998651 14.007 > 1 2 N 0.39744951303729 0.58333333333333 0.52827714998651 14.007 > 1 3 N 0.39744951303729 0.91666666666667 0.52827714998651 14.007 > 1 4 N 0.60255048696271 0.08333333333333 0.47172285001349 14.007 > 2 5 N 0.60255048696271 0.41666666666667 0.47172285001349 14.007 > 2 6 N 0.60255048696271 0.75000000000000 0.47172285001349 14.007 > 2 7 N 0.89744951303729 0.25000000000000 0.97172285001349 14.007 > 3 8 N 0.89744951303729 0.58333333333333 0.97172285001349 14.007 > 3 9 N 0.89744951303729 0.91666666666667 0.97172285001349 14.007 > 3 10 N 0.10255048696271 0.08333333333333 0.02827714998651 14.007 > 4 11 N 0.10255048696271 0.41666666666667 0.02827714998651 14.007 > 4 12 N 0.10255048696271 0.75000000000000 0.02827714998651 14.007 > 4 *13 N 0.00358777998740 0.25000000000000 0.72645527070398 14.007 > 5 14 N 0.00358777998740 0.58333333333333 0.72645527070398 14.007 > 5 15 N 0.00358777998740 0.91666666666667 0.72645527070398 14.007 > 5 16 N 0.99641222001260 0.08333333333333 0.27354472929602 14.007 > 6 17 N 0.99641222001260 0.41666666666667 0.27354472929602 14.007 > 6 18 N 0.99641222001260 0.75000000000000 0.27354472929602 14.007 > 6 19 N 0.50358777998740 0.25000000000000 0.77354472929602 14.007 > 7 20 N 0.50358777998740 0.58333333333333 0.77354472929602 14.007 > 7 21 N 0.50358777998740 0.91666666666667 0.77354472929602 14.007 > 7 22 N 0.49641222001260 0.08333333333333 0.22645527070398 14.007 > 8 23 N 0.49641222001260 0.41666666666667 0.22645527070398 14.007 > 8 24 N 0.49641222001260 0.75000000000000 0.22645527070398 14.007 > 8 *25 N 0.85568515386924 0.25000000000000 0.48137817011437 14.007 > 9 26 N 0.85568515386924 0.58333333333333 0.48137817011437 14.007 > 9 27 N 0.85568515386924 0.91666666666667 0.48137817011437 14.007 > 9 28 N 0.14431484613076 0.08333333333333 0.51862182988563 14.007 > 10 29 N 0.14431484613076 0.41666666666667 0.51862182988563 14.007 > 10 30 N 0.14431484613076 0.75000000000000 0.51862182988563 14.007 > 10 31 N 0.35568515386924 0.25000000000000 0.01862182988563 14.007 > 11 32 N 0.35568515386924 0.58333333333333 0.01862182988563 14.007 > 11 33 N 0.35568515386924 0.91666666666667 0.01862182988563 14.007 > 11 34 N 0.64431484613076 0.08333333333333 0.98137817011437 14.007 > 12 35 N 0.64431484613076 0.41666666666667 0.98137817011437 14.007 > 12 36 N 0.64431484613076 0.75000000000000 0.98137817011437 14.007 > 12 *37 N 0.73518987338172 0.08333333333333 0.71343385007173 14.007 > 13 38 N 0.73518987338172 0.41666666666667 0.71343385007173 14.007 > 13 39 N 0.73518987338172 0.75000000000000 0.71343385007173 14.007 > 13 40 N 0.26481012661828 0.25000000000000 0.28656614992827 14.007 > 14 41 N 0.26481012661828 0.58333333333333 0.28656614992827 14.007 > 14 42 N 0.26481012661828 0.91666666666667 0.28656614992827 14.007 > 14 43 N 0.23518987338172 0.08333333333333 0.78656614992827 14.007 > 15 44 N 0.23518987338172 0.41666666666667 0.78656614992827 14.007 > 15 45 N 0.23518987338172 0.75000000000000 0.78656614992827 14.007 > 15 46 N 0.76481012661828 0.25000000000000 0.21343385007173 14.007 > 16 47 N 0.76481012661828 0.58333333333333 0.21343385007173 14.007 > 16 48 N 0.76481012661828 0.91666666666667 0.21343385007173 14.007 > 16 *49 Zr 0.73249745848069 0.25000000000000 0.85088238448595 91.224 > 17 50 Zr 0.73249745848069 0.58333333333333 0.85088238448595 91.224 > 17 51 Zr 0.73249745848069 0.91666666666667 0.85088238448595 91.224 > 17 52 Zr 0.26750254151931 0.08333333333333 0.14911761551405 91.224 > 18 53 Zr 0.26750254151931 0.41666666666667 0.14911761551405 91.224 > 18 54 Zr 0.26750254151931 0.75000000000000 0.14911761551405 91.224 > 18 55 Zr 0.23249745848069 0.25000000000000 0.64911761551405 91.224 > 19 56 Zr 0.23249745848069 0.58333333333333 0.64911761551405 91.224 > 19 57 Zr 0.23249745848069 0.91666666666667 0.64911761551405 91.224 > 19 58 Zr 0.76750254151931 0.08333333333333 0.35088238448595 91.224 > 20 59 Zr 0.76750254151931 0.41666666666667 0.35088238448595 91.224 > 20 60 Zr 0.76750254151931 0.75000000000000 0.35088238448595 91.224 > 20 *61 Zr 0.60832116620432 0.25000000000000 0.59307180390435 91.224 > 21 62 Zr 0.60832116620432 0.58333333333333 0.59307180390435 91.224 > 21 63 Zr 0.60832116620432 0.91666666666667 0.59307180390435 91.224 > 21 64 Zr 0.39167883379568 0.08333333333333 0.40692819609565 91.224 > 22 65 Zr 0.39167883379568 0.41666666666667 0.40692819609565 91.224 > 22 66 Zr 0.39167883379568 0.75000000000000 0.40692819609565 91.224 > 22 67 Zr 0.10832116620432 0.25000000000000 0.90692819609565 91.224 > 23 68 Zr 0.10832116620432 0.58333333333333 0.90692819609565 91.224 > 23 69 Zr 0.10832116620432 0.91666666666667 0.90692819609565 91.224 > 23 70 Zr 0.89167883379568 0.08333333333333 0.09307180390435 91.224 > 24 71 Zr 0.89167883379568 0.41666666666667 0.09307180390435 91.224 > 24 72 Zr 0.89167883379568 0.75000000000000 0.09307180390435 91.224 > 24 *73 Zr 0.56882686872433 0.25000000000000 0.12347098175527 91.224 > 25 74 Zr 0.56882686872433 0.58333333333333 0.12347098175527 91.224 > 25 75 Zr 0.56882686872433 0.91666666666667 0.12347098175527 91.224 > 25 76 Zr 0.43117313127567 0.08333333333333 0.87652901824473 91.224 > 26 77 Zr 0.43117313127567 0.41666666666667 0.87652901824473 91.224 > 26 78 Zr 0.43117313127567 0.75000000000000 0.87652901824473 91.224 > 26 79 Zr 0.06882686872433 0.25000000000000 0.37652901824473 91.224 > 27 80 Zr 0.06882686872433 0.58333333333333 0.37652901824473 91.224 > 27 81 Zr 0.06882686872433 0.91666666666667 0.37652901824473 91.224 > 27 82 Zr 0.93117313127567 0.08333333333333 0.62347098175527 91.224 > 28 83 Zr 0.93117313127567 0.41666666666667 0.62347098175527 91.224 > 28 84 Zr 0.93117313127567 0.75000000000000 0.62347098175527 91.224 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.2929276 0.0000000 0.0000000 0.0000000 11.4189891 0.0000000 0.0000000 0.0000000 11.6507427 -------------------------- Born effective charges -------------------------- 1 N -4.1483283 0.0000000 0.5843911 0.0000000 -3.7810665 0.0000000 0.3903427 0.0000000 -4.0085944 2 N -4.1483283 0.0000000 0.5843911 0.0000000 -3.7810665 0.0000000 0.3903427 0.0000000 -4.0085944 3 N -4.1483283 0.0000000 -0.5843911 0.0000000 -3.7810665 0.0000000 -0.3903427 0.0000000 -4.0085944 4 N -4.1483283 0.0000000 -0.5843911 0.0000000 -3.7810665 0.0000000 -0.3903427 0.0000000 -4.0085944 5 N -3.7661231 0.0000000 -0.6501509 0.0000000 -4.4645999 0.0000000 -0.7773523 0.0000000 -4.2995769 6 N -3.7661231 0.0000000 -0.6501509 0.0000000 -4.4645999 0.0000000 -0.7773523 0.0000000 -4.2995769 7 N -3.7661231 0.0000000 0.6501509 0.0000000 -4.4645999 0.0000000 0.7773523 0.0000000 -4.2995769 8 N -3.7661231 0.0000000 0.6501509 0.0000000 -4.4645999 0.0000000 0.7773523 0.0000000 -4.2995769 9 N -3.6013789 0.0000000 -0.6223661 0.0000000 -4.5871965 0.0000000 -0.2285639 0.0000000 -4.1380474 10 N -3.6013789 0.0000000 -0.6223661 0.0000000 -4.5871965 0.0000000 -0.2285639 0.0000000 -4.1380474 11 N -3.6013789 0.0000000 0.6223661 0.0000000 -4.5871965 0.0000000 0.2285639 0.0000000 -4.1380474 12 N -3.6013789 0.0000000 0.6223661 0.0000000 -4.5871965 0.0000000 0.2285639 0.0000000 -4.1380474 13 N -3.4772369 0.0000000 0.3617845 0.0000000 -4.3298473 0.0000000 0.5412055 0.0000000 -4.3414449 14 N -3.4772369 0.0000000 0.3617845 0.0000000 -4.3298473 0.0000000 0.5412055 0.0000000 -4.3414449 15 N -3.4772369 0.0000000 -0.3617845 0.0000000 -4.3298473 0.0000000 -0.5412055 0.0000000 -4.3414449 16 N -3.4772369 0.0000000 -0.3617845 0.0000000 -4.3298473 0.0000000 -0.5412055 0.0000000 -4.3414449 17 Zr 4.8822763 0.0000000 0.0230569 0.0000000 5.5244020 0.0000000 0.7458830 0.0000000 5.9653560 18 Zr 4.8822763 0.0000000 0.0230569 0.0000000 5.5244020 0.0000000 0.7458830 0.0000000 5.9653560 19 Zr 4.8822763 0.0000000 -0.0230569 0.0000000 5.5244020 0.0000000 -0.7458830 0.0000000 5.9653560 20 Zr 4.8822763 0.0000000 -0.0230569 0.0000000 5.5244020 0.0000000 -0.7458830 0.0000000 5.9653560 21 Zr 4.6817803 0.0000000 0.1634935 0.0000000 4.9026521 0.0000000 0.2904543 0.0000000 5.9919579 22 Zr 4.6817803 0.0000000 0.1634935 0.0000000 4.9026521 0.0000000 0.2904543 0.0000000 5.9919579 23 Zr 4.6817803 0.0000000 -0.1634935 0.0000000 4.9026521 0.0000000 -0.2904543 0.0000000 5.9919579 24 Zr 4.6817803 0.0000000 -0.1634935 0.0000000 4.9026521 0.0000000 -0.2904543 0.0000000 5.9919579 25 Zr 5.4290107 0.0000000 -0.4969669 0.0000000 6.7356562 0.0000000 0.0672242 0.0000000 4.8303497 26 Zr 5.4290107 0.0000000 -0.4969669 0.0000000 6.7356562 0.0000000 0.0672242 0.0000000 4.8303497 27 Zr 5.4290107 0.0000000 0.4969669 0.0000000 6.7356562 0.0000000 -0.0672242 0.0000000 4.8303497 28 Zr 5.4290107 0.0000000 0.4969669 0.0000000 6.7356562 0.0000000 -0.0672242 0.0000000 4.8303497 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.494 Solver_block: 200 / 480 - Time: 1.426 Solver_block: 300 / 480 - Time: 1.493 Solver_block: 400 / 480 - Time: 1.491 Solver_block: 480 / 480 - Time: 1.200 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.336 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:30:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:30:51]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.662974680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.267517380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.775718980000001 Atomic positions (fractional): 1 N 0.39744951303729 0.75000000000000 0.52827714998651 14.007 2 N 0.60255048696271 0.25000000000000 0.47172285001349 14.007 3 N 0.89744951303729 0.75000000000000 0.97172285001349 14.007 4 N 0.10255048696271 0.25000000000000 0.02827714998651 14.007 5 N 0.00358777998740 0.75000000000000 0.72645527070398 14.007 6 N 0.99641222001260 0.25000000000000 0.27354472929602 14.007 7 N 0.50358777998740 0.75000000000000 0.77354472929602 14.007 8 N 0.49641222001260 0.25000000000000 0.22645527070398 14.007 9 N 0.85568515386924 0.75000000000000 0.48137817011437 14.007 10 N 0.14431484613076 0.25000000000000 0.51862182988563 14.007 11 N 0.35568515386924 0.75000000000000 0.01862182988563 14.007 12 N 0.64431484613076 0.25000000000000 0.98137817011437 14.007 13 N 0.73518987338172 0.25000000000000 0.71343385007173 14.007 14 N 0.26481012661828 0.75000000000000 0.28656614992827 14.007 15 N 0.23518987338172 0.25000000000000 0.78656614992827 14.007 16 N 0.76481012661828 0.75000000000000 0.21343385007173 14.007 17 Zr 0.73249745848069 0.75000000000000 0.85088238448595 91.224 18 Zr 0.26750254151931 0.25000000000000 0.14911761551405 91.224 19 Zr 0.23249745848069 0.75000000000000 0.64911761551405 91.224 20 Zr 0.76750254151931 0.25000000000000 0.35088238448595 91.224 21 Zr 0.60832116620432 0.75000000000000 0.59307180390435 91.224 22 Zr 0.39167883379568 0.25000000000000 0.40692819609565 91.224 23 Zr 0.10832116620432 0.75000000000000 0.90692819609565 91.224 24 Zr 0.89167883379568 0.25000000000000 0.09307180390435 91.224 25 Zr 0.56882686872433 0.75000000000000 0.12347098175527 91.224 26 Zr 0.43117313127567 0.25000000000000 0.87652901824473 91.224 27 Zr 0.06882686872433 0.75000000000000 0.37652901824473 91.224 28 Zr 0.93117313127567 0.25000000000000 0.62347098175527 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.662974680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.802552140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.775718980000001 Atomic positions (fractional): 1 N 0.39744951303729 0.25000000000000 0.52827714998651 14.007 > 1 2 N 0.39744951303729 0.58333333333333 0.52827714998651 14.007 > 1 3 N 0.39744951303729 0.91666666666667 0.52827714998651 14.007 > 1 4 N 0.60255048696271 0.08333333333333 0.47172285001349 14.007 > 4 5 N 0.60255048696271 0.41666666666667 0.47172285001349 14.007 > 4 6 N 0.60255048696271 0.75000000000000 0.47172285001349 14.007 > 4 7 N 0.89744951303729 0.25000000000000 0.97172285001349 14.007 > 7 8 N 0.89744951303729 0.58333333333333 0.97172285001349 14.007 > 7 9 N 0.89744951303729 0.91666666666667 0.97172285001349 14.007 > 7 10 N 0.10255048696271 0.08333333333333 0.02827714998651 14.007 > 10 11 N 0.10255048696271 0.41666666666667 0.02827714998651 14.007 > 10 12 N 0.10255048696271 0.75000000000000 0.02827714998651 14.007 > 10 13 N 0.00358777998740 0.25000000000000 0.72645527070398 14.007 > 13 14 N 0.00358777998740 0.58333333333333 0.72645527070398 14.007 > 13 15 N 0.00358777998740 0.91666666666667 0.72645527070398 14.007 > 13 16 N 0.99641222001260 0.08333333333333 0.27354472929602 14.007 > 16 17 N 0.99641222001260 0.41666666666667 0.27354472929602 14.007 > 16 18 N 0.99641222001260 0.75000000000000 0.27354472929602 14.007 > 16 19 N 0.50358777998740 0.25000000000000 0.77354472929602 14.007 > 19 20 N 0.50358777998740 0.58333333333333 0.77354472929602 14.007 > 19 21 N 0.50358777998740 0.91666666666667 0.77354472929602 14.007 > 19 22 N 0.49641222001260 0.08333333333333 0.22645527070398 14.007 > 22 23 N 0.49641222001260 0.41666666666667 0.22645527070398 14.007 > 22 24 N 0.49641222001260 0.75000000000000 0.22645527070398 14.007 > 22 25 N 0.85568515386924 0.25000000000000 0.48137817011437 14.007 > 25 26 N 0.85568515386924 0.58333333333333 0.48137817011437 14.007 > 25 27 N 0.85568515386924 0.91666666666667 0.48137817011437 14.007 > 25 28 N 0.14431484613076 0.08333333333333 0.51862182988563 14.007 > 28 29 N 0.14431484613076 0.41666666666667 0.51862182988563 14.007 > 28 30 N 0.14431484613076 0.75000000000000 0.51862182988563 14.007 > 28 31 N 0.35568515386924 0.25000000000000 0.01862182988563 14.007 > 31 32 N 0.35568515386924 0.58333333333333 0.01862182988563 14.007 > 31 33 N 0.35568515386924 0.91666666666667 0.01862182988563 14.007 > 31 34 N 0.64431484613076 0.08333333333333 0.98137817011437 14.007 > 34 35 N 0.64431484613076 0.41666666666667 0.98137817011437 14.007 > 34 36 N 0.64431484613076 0.75000000000000 0.98137817011437 14.007 > 34 37 N 0.73518987338172 0.08333333333333 0.71343385007173 14.007 > 37 38 N 0.73518987338172 0.41666666666667 0.71343385007173 14.007 > 37 39 N 0.73518987338172 0.75000000000000 0.71343385007173 14.007 > 37 40 N 0.26481012661828 0.25000000000000 0.28656614992827 14.007 > 40 41 N 0.26481012661828 0.58333333333333 0.28656614992827 14.007 > 40 42 N 0.26481012661828 0.91666666666667 0.28656614992827 14.007 > 40 43 N 0.23518987338172 0.08333333333333 0.78656614992827 14.007 > 43 44 N 0.23518987338172 0.41666666666667 0.78656614992827 14.007 > 43 45 N 0.23518987338172 0.75000000000000 0.78656614992827 14.007 > 43 46 N 0.76481012661828 0.25000000000000 0.21343385007173 14.007 > 46 47 N 0.76481012661828 0.58333333333333 0.21343385007173 14.007 > 46 48 N 0.76481012661828 0.91666666666667 0.21343385007173 14.007 > 46 49 Zr 0.73249745848069 0.25000000000000 0.85088238448595 91.224 > 49 50 Zr 0.73249745848069 0.58333333333333 0.85088238448595 91.224 > 49 51 Zr 0.73249745848069 0.91666666666667 0.85088238448595 91.224 > 49 52 Zr 0.26750254151931 0.08333333333333 0.14911761551405 91.224 > 52 53 Zr 0.26750254151931 0.41666666666667 0.14911761551405 91.224 > 52 54 Zr 0.26750254151931 0.75000000000000 0.14911761551405 91.224 > 52 55 Zr 0.23249745848069 0.25000000000000 0.64911761551405 91.224 > 55 56 Zr 0.23249745848069 0.58333333333333 0.64911761551405 91.224 > 55 57 Zr 0.23249745848069 0.91666666666667 0.64911761551405 91.224 > 55 58 Zr 0.76750254151931 0.08333333333333 0.35088238448595 91.224 > 58 59 Zr 0.76750254151931 0.41666666666667 0.35088238448595 91.224 > 58 60 Zr 0.76750254151931 0.75000000000000 0.35088238448595 91.224 > 58 61 Zr 0.60832116620432 0.25000000000000 0.59307180390435 91.224 > 61 62 Zr 0.60832116620432 0.58333333333333 0.59307180390435 91.224 > 61 63 Zr 0.60832116620432 0.91666666666667 0.59307180390435 91.224 > 61 64 Zr 0.39167883379568 0.08333333333333 0.40692819609565 91.224 > 64 65 Zr 0.39167883379568 0.41666666666667 0.40692819609565 91.224 > 64 66 Zr 0.39167883379568 0.75000000000000 0.40692819609565 91.224 > 64 67 Zr 0.10832116620432 0.25000000000000 0.90692819609565 91.224 > 67 68 Zr 0.10832116620432 0.58333333333333 0.90692819609565 91.224 > 67 69 Zr 0.10832116620432 0.91666666666667 0.90692819609565 91.224 > 67 70 Zr 0.89167883379568 0.08333333333333 0.09307180390435 91.224 > 70 71 Zr 0.89167883379568 0.41666666666667 0.09307180390435 91.224 > 70 72 Zr 0.89167883379568 0.75000000000000 0.09307180390435 91.224 > 70 73 Zr 0.56882686872433 0.25000000000000 0.12347098175527 91.224 > 73 74 Zr 0.56882686872433 0.58333333333333 0.12347098175527 91.224 > 73 75 Zr 0.56882686872433 0.91666666666667 0.12347098175527 91.224 > 73 76 Zr 0.43117313127567 0.08333333333333 0.87652901824473 91.224 > 76 77 Zr 0.43117313127567 0.41666666666667 0.87652901824473 91.224 > 76 78 Zr 0.43117313127567 0.75000000000000 0.87652901824473 91.224 > 76 79 Zr 0.06882686872433 0.25000000000000 0.37652901824473 91.224 > 79 80 Zr 0.06882686872433 0.58333333333333 0.37652901824473 91.224 > 79 81 Zr 0.06882686872433 0.91666666666667 0.37652901824473 91.224 > 79 82 Zr 0.93117313127567 0.08333333333333 0.62347098175527 91.224 > 82 83 Zr 0.93117313127567 0.41666666666667 0.62347098175527 91.224 > 82 84 Zr 0.93117313127567 0.75000000000000 0.62347098175527 91.224 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.2929276 0.0000000 0.0000000 0.0000000 11.4189891 0.0000000 0.0000000 0.0000000 11.6507427 -------------------------- Born effective charges -------------------------- 1 N -4.1483283 0.0000000 0.5843911 0.0000000 -3.7810665 0.0000000 0.3903427 0.0000000 -4.0085944 2 N -4.1483283 0.0000000 0.5843911 0.0000000 -3.7810665 0.0000000 0.3903427 0.0000000 -4.0085944 3 N -4.1483283 0.0000000 -0.5843911 0.0000000 -3.7810665 0.0000000 -0.3903427 0.0000000 -4.0085944 4 N -4.1483283 0.0000000 -0.5843911 0.0000000 -3.7810665 0.0000000 -0.3903427 0.0000000 -4.0085944 5 N -3.7661231 0.0000000 -0.6501509 0.0000000 -4.4645999 0.0000000 -0.7773523 0.0000000 -4.2995769 6 N -3.7661231 0.0000000 -0.6501509 0.0000000 -4.4645999 0.0000000 -0.7773523 0.0000000 -4.2995769 7 N -3.7661231 0.0000000 0.6501509 0.0000000 -4.4645999 0.0000000 0.7773523 0.0000000 -4.2995769 8 N -3.7661231 0.0000000 0.6501509 0.0000000 -4.4645999 0.0000000 0.7773523 0.0000000 -4.2995769 9 N -3.6013789 0.0000000 -0.6223661 0.0000000 -4.5871965 0.0000000 -0.2285639 0.0000000 -4.1380474 10 N -3.6013789 0.0000000 -0.6223661 0.0000000 -4.5871965 0.0000000 -0.2285639 0.0000000 -4.1380474 11 N -3.6013789 0.0000000 0.6223661 0.0000000 -4.5871965 0.0000000 0.2285639 0.0000000 -4.1380474 12 N -3.6013789 0.0000000 0.6223661 0.0000000 -4.5871965 0.0000000 0.2285639 0.0000000 -4.1380474 13 N -3.4772369 0.0000000 0.3617845 0.0000000 -4.3298473 0.0000000 0.5412055 0.0000000 -4.3414449 14 N -3.4772369 0.0000000 0.3617845 0.0000000 -4.3298473 0.0000000 0.5412055 0.0000000 -4.3414449 15 N -3.4772369 0.0000000 -0.3617845 0.0000000 -4.3298473 0.0000000 -0.5412055 0.0000000 -4.3414449 16 N -3.4772369 0.0000000 -0.3617845 0.0000000 -4.3298473 0.0000000 -0.5412055 0.0000000 -4.3414449 17 Zr 4.8822763 0.0000000 0.0230569 0.0000000 5.5244020 0.0000000 0.7458830 0.0000000 5.9653560 18 Zr 4.8822763 0.0000000 0.0230569 0.0000000 5.5244020 0.0000000 0.7458830 0.0000000 5.9653560 19 Zr 4.8822763 0.0000000 -0.0230569 0.0000000 5.5244020 0.0000000 -0.7458830 0.0000000 5.9653560 20 Zr 4.8822763 0.0000000 -0.0230569 0.0000000 5.5244020 0.0000000 -0.7458830 0.0000000 5.9653560 21 Zr 4.6817803 0.0000000 0.1634935 0.0000000 4.9026521 0.0000000 0.2904543 0.0000000 5.9919579 22 Zr 4.6817803 0.0000000 0.1634935 0.0000000 4.9026521 0.0000000 0.2904543 0.0000000 5.9919579 23 Zr 4.6817803 0.0000000 -0.1634935 0.0000000 4.9026521 0.0000000 -0.2904543 0.0000000 5.9919579 24 Zr 4.6817803 0.0000000 -0.1634935 0.0000000 4.9026521 0.0000000 -0.2904543 0.0000000 5.9919579 25 Zr 5.4290107 0.0000000 -0.4969669 0.0000000 6.7356562 0.0000000 0.0672242 0.0000000 4.8303497 26 Zr 5.4290107 0.0000000 -0.4969669 0.0000000 6.7356562 0.0000000 0.0672242 0.0000000 4.8303497 27 Zr 5.4290107 0.0000000 0.4969669 0.0000000 6.7356562 0.0000000 -0.0672242 0.0000000 4.8303497 28 Zr 5.4290107 0.0000000 0.4969669 0.0000000 6.7356562 0.0000000 -0.0672242 0.0000000 4.8303497 ---------------------------------------------------------------------------- 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[ 13, 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[ 25, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:31:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:31:07]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.662974680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.267517380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.775718980000001 Atomic positions (fractional): 1 N 0.39744951303729 0.75000000000000 0.52827714998651 14.007 2 N 0.60255048696271 0.25000000000000 0.47172285001349 14.007 3 N 0.89744951303729 0.75000000000000 0.97172285001349 14.007 4 N 0.10255048696271 0.25000000000000 0.02827714998651 14.007 5 N 0.00358777998740 0.75000000000000 0.72645527070398 14.007 6 N 0.99641222001260 0.25000000000000 0.27354472929602 14.007 7 N 0.50358777998740 0.75000000000000 0.77354472929602 14.007 8 N 0.49641222001260 0.25000000000000 0.22645527070398 14.007 9 N 0.85568515386924 0.75000000000000 0.48137817011437 14.007 10 N 0.14431484613076 0.25000000000000 0.51862182988563 14.007 11 N 0.35568515386924 0.75000000000000 0.01862182988563 14.007 12 N 0.64431484613076 0.25000000000000 0.98137817011437 14.007 13 N 0.73518987338172 0.25000000000000 0.71343385007173 14.007 14 N 0.26481012661828 0.75000000000000 0.28656614992827 14.007 15 N 0.23518987338172 0.25000000000000 0.78656614992827 14.007 16 N 0.76481012661828 0.75000000000000 0.21343385007173 14.007 17 Zr 0.73249745848069 0.75000000000000 0.85088238448595 91.224 18 Zr 0.26750254151931 0.25000000000000 0.14911761551405 91.224 19 Zr 0.23249745848069 0.75000000000000 0.64911761551405 91.224 20 Zr 0.76750254151931 0.25000000000000 0.35088238448595 91.224 21 Zr 0.60832116620432 0.75000000000000 0.59307180390435 91.224 22 Zr 0.39167883379568 0.25000000000000 0.40692819609565 91.224 23 Zr 0.10832116620432 0.75000000000000 0.90692819609565 91.224 24 Zr 0.89167883379568 0.25000000000000 0.09307180390435 91.224 25 Zr 0.56882686872433 0.75000000000000 0.12347098175527 91.224 26 Zr 0.43117313127567 0.25000000000000 0.87652901824473 91.224 27 Zr 0.06882686872433 0.75000000000000 0.37652901824473 91.224 28 Zr 0.93117313127567 0.25000000000000 0.62347098175527 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.662974680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.802552140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.775718980000001 Atomic positions (fractional): 1 N 0.39744951303729 0.25000000000000 0.52827714998651 14.007 > 1 2 N 0.39744951303729 0.58333333333333 0.52827714998651 14.007 > 1 3 N 0.39744951303729 0.91666666666667 0.52827714998651 14.007 > 1 4 N 0.60255048696271 0.08333333333333 0.47172285001349 14.007 > 4 5 N 0.60255048696271 0.41666666666667 0.47172285001349 14.007 > 4 6 N 0.60255048696271 0.75000000000000 0.47172285001349 14.007 > 4 7 N 0.89744951303729 0.25000000000000 0.97172285001349 14.007 > 7 8 N 0.89744951303729 0.58333333333333 0.97172285001349 14.007 > 7 9 N 0.89744951303729 0.91666666666667 0.97172285001349 14.007 > 7 10 N 0.10255048696271 0.08333333333333 0.02827714998651 14.007 > 10 11 N 0.10255048696271 0.41666666666667 0.02827714998651 14.007 > 10 12 N 0.10255048696271 0.75000000000000 0.02827714998651 14.007 > 10 13 N 0.00358777998740 0.25000000000000 0.72645527070398 14.007 > 13 14 N 0.00358777998740 0.58333333333333 0.72645527070398 14.007 > 13 15 N 0.00358777998740 0.91666666666667 0.72645527070398 14.007 > 13 16 N 0.99641222001260 0.08333333333333 0.27354472929602 14.007 > 16 17 N 0.99641222001260 0.41666666666667 0.27354472929602 14.007 > 16 18 N 0.99641222001260 0.75000000000000 0.27354472929602 14.007 > 16 19 N 0.50358777998740 0.25000000000000 0.77354472929602 14.007 > 19 20 N 0.50358777998740 0.58333333333333 0.77354472929602 14.007 > 19 21 N 0.50358777998740 0.91666666666667 0.77354472929602 14.007 > 19 22 N 0.49641222001260 0.08333333333333 0.22645527070398 14.007 > 22 23 N 0.49641222001260 0.41666666666667 0.22645527070398 14.007 > 22 24 N 0.49641222001260 0.75000000000000 0.22645527070398 14.007 > 22 25 N 0.85568515386924 0.25000000000000 0.48137817011437 14.007 > 25 26 N 0.85568515386924 0.58333333333333 0.48137817011437 14.007 > 25 27 N 0.85568515386924 0.91666666666667 0.48137817011437 14.007 > 25 28 N 0.14431484613076 0.08333333333333 0.51862182988563 14.007 > 28 29 N 0.14431484613076 0.41666666666667 0.51862182988563 14.007 > 28 30 N 0.14431484613076 0.75000000000000 0.51862182988563 14.007 > 28 31 N 0.35568515386924 0.25000000000000 0.01862182988563 14.007 > 31 32 N 0.35568515386924 0.58333333333333 0.01862182988563 14.007 > 31 33 N 0.35568515386924 0.91666666666667 0.01862182988563 14.007 > 31 34 N 0.64431484613076 0.08333333333333 0.98137817011437 14.007 > 34 35 N 0.64431484613076 0.41666666666667 0.98137817011437 14.007 > 34 36 N 0.64431484613076 0.75000000000000 0.98137817011437 14.007 > 34 37 N 0.73518987338172 0.08333333333333 0.71343385007173 14.007 > 37 38 N 0.73518987338172 0.41666666666667 0.71343385007173 14.007 > 37 39 N 0.73518987338172 0.75000000000000 0.71343385007173 14.007 > 37 40 N 0.26481012661828 0.25000000000000 0.28656614992827 14.007 > 40 41 N 0.26481012661828 0.58333333333333 0.28656614992827 14.007 > 40 42 N 0.26481012661828 0.91666666666667 0.28656614992827 14.007 > 40 43 N 0.23518987338172 0.08333333333333 0.78656614992827 14.007 > 43 44 N 0.23518987338172 0.41666666666667 0.78656614992827 14.007 > 43 45 N 0.23518987338172 0.75000000000000 0.78656614992827 14.007 > 43 46 N 0.76481012661828 0.25000000000000 0.21343385007173 14.007 > 46 47 N 0.76481012661828 0.58333333333333 0.21343385007173 14.007 > 46 48 N 0.76481012661828 0.91666666666667 0.21343385007173 14.007 > 46 49 Zr 0.73249745848069 0.25000000000000 0.85088238448595 91.224 > 49 50 Zr 0.73249745848069 0.58333333333333 0.85088238448595 91.224 > 49 51 Zr 0.73249745848069 0.91666666666667 0.85088238448595 91.224 > 49 52 Zr 0.26750254151931 0.08333333333333 0.14911761551405 91.224 > 52 53 Zr 0.26750254151931 0.41666666666667 0.14911761551405 91.224 > 52 54 Zr 0.26750254151931 0.75000000000000 0.14911761551405 91.224 > 52 55 Zr 0.23249745848069 0.25000000000000 0.64911761551405 91.224 > 55 56 Zr 0.23249745848069 0.58333333333333 0.64911761551405 91.224 > 55 57 Zr 0.23249745848069 0.91666666666667 0.64911761551405 91.224 > 55 58 Zr 0.76750254151931 0.08333333333333 0.35088238448595 91.224 > 58 59 Zr 0.76750254151931 0.41666666666667 0.35088238448595 91.224 > 58 60 Zr 0.76750254151931 0.75000000000000 0.35088238448595 91.224 > 58 61 Zr 0.60832116620432 0.25000000000000 0.59307180390435 91.224 > 61 62 Zr 0.60832116620432 0.58333333333333 0.59307180390435 91.224 > 61 63 Zr 0.60832116620432 0.91666666666667 0.59307180390435 91.224 > 61 64 Zr 0.39167883379568 0.08333333333333 0.40692819609565 91.224 > 64 65 Zr 0.39167883379568 0.41666666666667 0.40692819609565 91.224 > 64 66 Zr 0.39167883379568 0.75000000000000 0.40692819609565 91.224 > 64 67 Zr 0.10832116620432 0.25000000000000 0.90692819609565 91.224 > 67 68 Zr 0.10832116620432 0.58333333333333 0.90692819609565 91.224 > 67 69 Zr 0.10832116620432 0.91666666666667 0.90692819609565 91.224 > 67 70 Zr 0.89167883379568 0.08333333333333 0.09307180390435 91.224 > 70 71 Zr 0.89167883379568 0.41666666666667 0.09307180390435 91.224 > 70 72 Zr 0.89167883379568 0.75000000000000 0.09307180390435 91.224 > 70 73 Zr 0.56882686872433 0.25000000000000 0.12347098175527 91.224 > 73 74 Zr 0.56882686872433 0.58333333333333 0.12347098175527 91.224 > 73 75 Zr 0.56882686872433 0.91666666666667 0.12347098175527 91.224 > 73 76 Zr 0.43117313127567 0.08333333333333 0.87652901824473 91.224 > 76 77 Zr 0.43117313127567 0.41666666666667 0.87652901824473 91.224 > 76 78 Zr 0.43117313127567 0.75000000000000 0.87652901824473 91.224 > 76 79 Zr 0.06882686872433 0.25000000000000 0.37652901824473 91.224 > 79 80 Zr 0.06882686872433 0.58333333333333 0.37652901824473 91.224 > 79 81 Zr 0.06882686872433 0.91666666666667 0.37652901824473 91.224 > 79 82 Zr 0.93117313127567 0.08333333333333 0.62347098175527 91.224 > 82 83 Zr 0.93117313127567 0.41666666666667 0.62347098175527 91.224 > 82 84 Zr 0.93117313127567 0.75000000000000 0.62347098175527 91.224 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.2929276 0.0000000 0.0000000 0.0000000 11.4189891 0.0000000 0.0000000 0.0000000 11.6507427 -------------------------- Born effective charges -------------------------- 1 N -4.1483283 0.0000000 0.5843911 0.0000000 -3.7810665 0.0000000 0.3903427 0.0000000 -4.0085944 2 N -4.1483283 0.0000000 0.5843911 0.0000000 -3.7810665 0.0000000 0.3903427 0.0000000 -4.0085944 3 N -4.1483283 0.0000000 -0.5843911 0.0000000 -3.7810665 0.0000000 -0.3903427 0.0000000 -4.0085944 4 N -4.1483283 0.0000000 -0.5843911 0.0000000 -3.7810665 0.0000000 -0.3903427 0.0000000 -4.0085944 5 N -3.7661231 0.0000000 -0.6501509 0.0000000 -4.4645999 0.0000000 -0.7773523 0.0000000 -4.2995769 6 N -3.7661231 0.0000000 -0.6501509 0.0000000 -4.4645999 0.0000000 -0.7773523 0.0000000 -4.2995769 7 N -3.7661231 0.0000000 0.6501509 0.0000000 -4.4645999 0.0000000 0.7773523 0.0000000 -4.2995769 8 N -3.7661231 0.0000000 0.6501509 0.0000000 -4.4645999 0.0000000 0.7773523 0.0000000 -4.2995769 9 N -3.6013789 0.0000000 -0.6223661 0.0000000 -4.5871965 0.0000000 -0.2285639 0.0000000 -4.1380474 10 N -3.6013789 0.0000000 -0.6223661 0.0000000 -4.5871965 0.0000000 -0.2285639 0.0000000 -4.1380474 11 N -3.6013789 0.0000000 0.6223661 0.0000000 -4.5871965 0.0000000 0.2285639 0.0000000 -4.1380474 12 N -3.6013789 0.0000000 0.6223661 0.0000000 -4.5871965 0.0000000 0.2285639 0.0000000 -4.1380474 13 N -3.4772369 0.0000000 0.3617845 0.0000000 -4.3298473 0.0000000 0.5412055 0.0000000 -4.3414449 14 N -3.4772369 0.0000000 0.3617845 0.0000000 -4.3298473 0.0000000 0.5412055 0.0000000 -4.3414449 15 N -3.4772369 0.0000000 -0.3617845 0.0000000 -4.3298473 0.0000000 -0.5412055 0.0000000 -4.3414449 16 N -3.4772369 0.0000000 -0.3617845 0.0000000 -4.3298473 0.0000000 -0.5412055 0.0000000 -4.3414449 17 Zr 4.8822763 0.0000000 0.0230569 0.0000000 5.5244020 0.0000000 0.7458830 0.0000000 5.9653560 18 Zr 4.8822763 0.0000000 0.0230569 0.0000000 5.5244020 0.0000000 0.7458830 0.0000000 5.9653560 19 Zr 4.8822763 0.0000000 -0.0230569 0.0000000 5.5244020 0.0000000 -0.7458830 0.0000000 5.9653560 20 Zr 4.8822763 0.0000000 -0.0230569 0.0000000 5.5244020 0.0000000 -0.7458830 0.0000000 5.9653560 21 Zr 4.6817803 0.0000000 0.1634935 0.0000000 4.9026521 0.0000000 0.2904543 0.0000000 5.9919579 22 Zr 4.6817803 0.0000000 0.1634935 0.0000000 4.9026521 0.0000000 0.2904543 0.0000000 5.9919579 23 Zr 4.6817803 0.0000000 -0.1634935 0.0000000 4.9026521 0.0000000 -0.2904543 0.0000000 5.9919579 24 Zr 4.6817803 0.0000000 -0.1634935 0.0000000 4.9026521 0.0000000 -0.2904543 0.0000000 5.9919579 25 Zr 5.4290107 0.0000000 -0.4969669 0.0000000 6.7356562 0.0000000 0.0672242 0.0000000 4.8303497 26 Zr 5.4290107 0.0000000 -0.4969669 0.0000000 6.7356562 0.0000000 0.0672242 0.0000000 4.8303497 27 Zr 5.4290107 0.0000000 0.4969669 0.0000000 6.7356562 0.0000000 -0.0672242 0.0000000 4.8303497 28 Zr 5.4290107 0.0000000 0.4969669 0.0000000 6.7356562 0.0000000 -0.0672242 0.0000000 4.8303497 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 15 5 ] 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: 0.59, Number of G-points: 293, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.485 ( 0.000 0.000 0.000) 0.000 10.728 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 0.000) 0.000 12.107 ( 0.000 0.000 0.000) 0.000 12.615 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.116 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 14.576 ( 0.000 0.000 0.000) 0.000 14.913 ( 0.000 0.000 0.000) 0.000 15.139 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.394 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.895 ( 0.000 0.000 0.000) 0.000 16.150 ( 0.000 0.000 0.000) 0.000 16.567 ( 0.000 0.000 0.000) 0.000 16.828 ( 0.000 0.000 0.000) 0.000 16.899 ( 0.000 0.000 0.000) 0.000 17.192 ( 0.000 0.000 0.000) 0.000 17.570 ( 0.000 0.000 0.000) 0.000 17.921 ( 0.000 0.000 0.000) 0.000 17.951 ( 0.000 0.000 0.000) 0.000 18.344 ( 0.000 0.000 0.000) 0.000 19.065 ( 0.000 0.000 0.000) 0.000 19.466 ( 0.000 0.000 0.000) 0.000 20.129 ( 0.000 0.000 0.000) 0.000 20.458 ( 0.000 0.000 0.000) 0.000 21.234 ( 0.000 0.000 0.000) 0.000 21.236 ( 0.000 0.000 0.000) 0.000 21.238 ( 0.000 0.000 0.000) 0.000 21.592 ( 0.000 0.000 0.000) 0.000 22.269 ( 0.000 0.000 0.000) 0.000 23.221 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 39.435 0.000 0.000) 39.435 0.893 ( 40.945 0.000 0.000) 40.945 1.251 ( 57.853 0.000 0.000) 57.853 2.122 ( 7.172 0.000 0.000) 7.172 2.325 ( -1.449 0.000 0.000) 1.449 2.476 ( 11.620 0.000 0.000) 11.620 2.792 ( -12.763 0.000 0.000) 12.763 2.950 ( -0.724 0.000 0.000) 0.724 3.034 ( -2.964 0.000 0.000) 2.964 3.184 ( -32.800 0.000 0.000) 32.800 3.286 ( 4.255 0.000 0.000) 4.255 3.492 ( 4.623 0.000 0.000) 4.623 3.718 ( 3.348 0.000 0.000) 3.348 3.747 ( -1.887 0.000 0.000) 1.887 3.888 ( -1.062 0.000 0.000) 1.062 3.898 ( -4.123 0.000 0.000) 4.123 3.976 ( -6.862 0.000 0.000) 6.862 4.127 ( -2.476 0.000 0.000) 2.476 4.302 ( -14.543 0.000 0.000) 14.543 4.558 ( 22.837 0.000 0.000) 22.837 4.725 ( 1.694 0.000 0.000) 1.694 4.921 ( -0.383 0.000 0.000) 0.383 4.954 ( -17.387 0.000 0.000) 17.387 4.973 ( -1.537 0.000 0.000) 1.537 5.809 ( -0.685 0.000 0.000) 0.685 5.968 ( -9.061 0.000 0.000) 9.061 6.336 ( 6.613 0.000 0.000) 6.613 6.598 ( 13.512 0.000 0.000) 13.512 6.625 ( -0.384 0.000 0.000) 0.384 7.294 ( 3.016 0.000 0.000) 3.016 7.374 ( 7.108 0.000 0.000) 7.108 7.629 ( -2.233 0.000 0.000) 2.233 8.052 ( -11.741 0.000 0.000) 11.741 8.169 ( 6.717 0.000 0.000) 6.717 8.202 ( -12.051 0.000 0.000) 12.051 8.876 ( 16.971 0.000 0.000) 16.971 8.905 ( -10.228 0.000 0.000) 10.228 9.075 ( 14.484 0.000 0.000) 14.484 9.450 ( 4.415 0.000 0.000) 4.415 9.840 ( 10.127 0.000 0.000) 10.127 9.931 ( -15.031 0.000 0.000) 15.031 10.226 ( 6.088 0.000 0.000) 6.088 10.397 ( 4.793 0.000 0.000) 4.793 10.679 ( -4.580 0.000 0.000) 4.580 10.884 ( 2.486 0.000 0.000) 2.486 11.073 ( -10.925 0.000 0.000) 10.925 11.593 ( -5.483 0.000 0.000) 5.483 11.971 ( -6.968 0.000 0.000) 6.968 12.115 ( 5.230 0.000 0.000) 5.230 12.151 ( 4.130 0.000 0.000) 4.130 12.560 ( -5.020 0.000 0.000) 5.020 12.877 ( 2.032 0.000 0.000) 2.032 13.040 ( -14.878 0.000 0.000) 14.878 13.080 ( 0.756 0.000 0.000) 0.756 13.117 ( 0.056 0.000 0.000) 0.056 13.163 ( -4.255 0.000 0.000) 4.255 13.857 ( 11.778 0.000 0.000) 11.778 14.550 ( -3.730 0.000 0.000) 3.730 14.927 ( 1.350 0.000 0.000) 1.350 15.096 ( -3.270 0.000 0.000) 3.270 15.314 ( 1.789 0.000 0.000) 1.789 15.390 ( -0.450 0.000 0.000) 0.450 15.610 ( 3.952 0.000 0.000) 3.952 15.873 ( -2.181 0.000 0.000) 2.181 16.181 ( 6.760 0.000 0.000) 6.760 16.600 ( 3.097 0.000 0.000) 3.097 16.865 ( -2.513 0.000 0.000) 2.513 17.025 ( 15.215 0.000 0.000) 15.215 17.077 ( -10.626 0.000 0.000) 10.626 17.536 ( 4.053 0.000 0.000) 4.053 17.555 ( -1.710 0.000 0.000) 1.710 17.923 ( 0.188 0.000 0.000) 0.188 17.947 ( -0.340 0.000 0.000) 0.340 18.247 ( -9.075 0.000 0.000) 9.075 19.142 ( 7.125 0.000 0.000) 7.125 19.669 ( -4.151 0.000 0.000) 4.151 20.562 ( 9.586 0.000 0.000) 9.586 21.160 ( -1.120 0.000 0.000) 1.120 21.208 ( -2.059 0.000 0.000) 2.059 21.234 ( -0.375 0.000 0.000) 0.375 21.243 ( 0.313 0.000 0.000) 0.313 21.655 ( -19.821 0.000 0.000) 19.821 22.522 ( 15.269 0.000 0.000) 15.269 23.171 ( -4.753 0.000 0.000) 4.753 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 36.683 0.000 0.000) 36.683 1.654 ( 31.745 0.000 0.000) 31.745 2.167 ( -16.410 0.000 0.000) 16.410 2.173 ( 8.302 0.000 0.000) 8.302 2.314 ( 10.523 0.000 0.000) 10.523 2.534 ( -11.011 0.000 0.000) 11.011 2.614 ( -4.272 0.000 0.000) 4.272 2.716 ( 7.214 0.000 0.000) 7.214 2.934 ( -0.513 0.000 0.000) 0.513 2.954 ( -3.007 0.000 0.000) 3.007 3.380 ( 5.959 0.000 0.000) 5.959 3.598 ( 5.052 0.000 0.000) 5.052 3.689 ( -3.651 0.000 0.000) 3.651 3.698 ( -20.516 0.000 0.000) 20.516 3.792 ( 3.479 0.000 0.000) 3.479 3.853 ( -2.322 0.000 0.000) 2.322 3.908 ( 7.466 0.000 0.000) 7.466 4.061 ( -6.471 0.000 0.000) 6.471 4.077 ( -0.394 0.000 0.000) 0.394 4.344 ( -26.400 0.000 0.000) 26.400 4.885 ( 7.295 0.000 0.000) 7.295 4.892 ( 3.977 0.000 0.000) 3.977 4.919 ( 0.321 0.000 0.000) 0.321 4.938 ( -1.542 0.000 0.000) 1.542 5.822 ( 0.723 0.000 0.000) 0.723 5.837 ( -2.595 0.000 0.000) 2.595 6.434 ( 3.491 0.000 0.000) 3.491 6.531 ( -6.310 0.000 0.000) 6.310 6.978 ( 21.554 0.000 0.000) 21.554 7.400 ( -13.947 0.000 0.000) 13.947 7.504 ( 7.581 0.000 0.000) 7.581 7.538 ( 6.745 0.000 0.000) 6.745 7.848 ( -5.718 0.000 0.000) 5.718 7.936 ( -12.350 0.000 0.000) 12.350 8.367 ( 12.020 0.000 0.000) 12.020 8.643 ( -13.954 0.000 0.000) 13.954 9.242 ( 16.985 0.000 0.000) 16.985 9.375 ( 11.480 0.000 0.000) 11.480 9.533 ( 0.969 0.000 0.000) 0.969 9.611 ( -14.850 0.000 0.000) 14.850 10.119 ( 15.898 0.000 0.000) 15.898 10.380 ( 8.283 0.000 0.000) 8.283 10.392 ( -6.931 0.000 0.000) 6.931 10.549 ( -7.592 0.000 0.000) 7.592 10.837 ( -7.752 0.000 0.000) 7.752 10.843 ( -5.405 0.000 0.000) 5.405 11.583 ( 6.134 0.000 0.000) 6.134 11.778 ( -10.746 0.000 0.000) 10.746 12.269 ( 7.023 0.000 0.000) 7.023 12.321 ( 14.318 0.000 0.000) 14.318 12.425 ( -7.529 0.000 0.000) 7.529 12.675 ( -18.726 0.000 0.000) 18.726 12.947 ( 4.592 0.000 0.000) 4.592 13.056 ( -5.638 0.000 0.000) 5.638 13.099 ( 0.923 0.000 0.000) 0.923 13.114 ( -0.466 0.000 0.000) 0.466 14.136 ( 13.929 0.000 0.000) 13.929 14.397 ( -10.652 0.000 0.000) 10.652 14.967 ( 2.450 0.000 0.000) 2.450 15.026 ( -3.235 0.000 0.000) 3.235 15.349 ( 1.496 0.000 0.000) 1.496 15.375 ( -0.986 0.000 0.000) 0.986 15.709 ( 5.111 0.000 0.000) 5.111 15.807 ( -4.103 0.000 0.000) 4.103 16.428 ( 15.961 0.000 0.000) 15.961 16.683 ( 4.143 0.000 0.000) 4.143 16.786 ( -16.062 0.000 0.000) 16.062 16.788 ( -4.534 0.000 0.000) 4.534 17.332 ( 11.684 0.000 0.000) 11.684 17.491 ( -4.719 0.000 0.000) 4.719 17.694 ( 11.964 0.000 0.000) 11.964 17.929 ( 0.382 0.000 0.000) 0.382 17.938 ( -0.476 0.000 0.000) 0.476 17.992 ( -14.761 0.000 0.000) 14.761 19.333 ( 10.438 0.000 0.000) 10.438 19.537 ( -8.523 0.000 0.000) 8.523 20.829 ( 15.514 0.000 0.000) 15.514 21.127 ( -4.956 0.000 0.000) 4.956 21.165 ( -1.585 0.000 0.000) 1.585 21.181 ( -6.830 0.000 0.000) 6.830 21.252 ( 0.620 0.000 0.000) 0.620 21.301 ( -8.324 0.000 0.000) 8.324 22.810 ( 12.343 0.000 0.000) 12.343 23.029 ( -8.787 0.000 0.000) 8.787 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 32.399 0.000) 32.399 0.889 ( 0.000 42.165 0.000) 42.165 1.564 ( 0.000 75.280 0.000) 75.280 2.302 ( 0.000 -1.859 0.000) 1.859 2.314 ( 0.000 21.675 0.000) 21.675 2.645 ( 0.000 27.877 0.000) 27.877 3.112 ( 0.000 12.713 0.000) 12.713 3.182 ( 0.000 14.024 0.000) 14.024 3.241 ( 0.000 19.791 0.000) 19.791 3.265 ( 0.000 5.729 0.000) 5.729 3.469 ( 0.000 24.166 0.000) 24.166 3.614 ( 0.000 16.539 0.000) 16.539 3.918 ( 0.000 20.243 0.000) 20.243 3.965 ( 0.000 16.980 0.000) 16.980 3.988 ( 0.000 -0.729 0.000) 0.729 4.069 ( 0.000 2.670 0.000) 2.670 4.094 ( 0.000 3.846 0.000) 3.846 4.198 ( 0.000 1.307 0.000) 1.307 4.201 ( 0.000 26.564 0.000) 26.564 4.436 ( 0.000 -4.581 0.000) 4.581 4.662 ( 0.000 1.228 0.000) 1.228 4.970 ( 0.000 8.106 0.000) 8.106 5.202 ( 0.000 19.904 0.000) 19.904 5.450 ( 0.000 23.833 0.000) 23.833 5.909 ( 0.000 6.661 0.000) 6.661 6.123 ( 0.000 -0.046 0.000) 0.046 6.195 ( 0.000 -0.445 0.000) 0.445 6.460 ( 0.000 0.745 0.000) 0.745 6.652 ( 0.000 6.929 0.000) 6.929 7.187 ( 0.000 2.172 0.000) 2.172 7.278 ( 0.000 -2.738 0.000) 2.738 7.459 ( 0.000 -13.407 0.000) 13.407 7.670 ( 0.000 -1.721 0.000) 1.721 8.208 ( 0.000 -0.327 0.000) 0.327 8.622 ( 0.000 -3.083 0.000) 3.083 8.934 ( 0.000 4.332 0.000) 4.332 9.226 ( 0.000 -3.571 0.000) 3.571 9.334 ( 0.000 17.573 0.000) 17.573 9.403 ( 0.000 10.016 0.000) 10.016 9.765 ( 0.000 3.564 0.000) 3.564 10.158 ( 0.000 -3.093 0.000) 3.093 10.233 ( 0.000 -2.319 0.000) 2.319 10.463 ( 0.000 2.327 0.000) 2.327 10.983 ( 0.000 17.689 0.000) 17.689 11.011 ( 0.000 18.270 0.000) 18.270 11.119 ( 0.000 -6.844 0.000) 6.844 11.589 ( 0.000 -5.654 0.000) 5.654 11.931 ( 0.000 -11.872 0.000) 11.872 12.179 ( 0.000 9.775 0.000) 9.775 12.445 ( 0.000 -11.877 0.000) 11.877 12.525 ( 0.000 3.406 0.000) 3.406 13.005 ( 0.000 9.143 0.000) 9.143 13.133 ( 0.000 11.068 0.000) 11.068 13.165 ( 0.000 -2.772 0.000) 2.772 13.209 ( 0.000 7.201 0.000) 7.201 13.840 ( 0.000 11.887 0.000) 11.887 14.181 ( 0.000 2.002 0.000) 2.002 14.209 ( 0.000 8.398 0.000) 8.398 14.390 ( 0.000 -13.292 0.000) 13.292 15.018 ( 0.000 -40.495 0.000) 40.495 15.067 ( 0.000 -6.513 0.000) 6.513 15.319 ( 0.000 2.890 0.000) 2.890 15.384 ( 0.000 18.240 0.000) 18.240 15.392 ( 0.000 -0.671 0.000) 0.671 16.174 ( 0.000 2.439 0.000) 2.439 16.676 ( 0.000 3.093 0.000) 3.093 16.791 ( 0.000 -4.531 0.000) 4.531 16.869 ( 0.000 -2.056 0.000) 2.056 17.045 ( 0.000 -12.519 0.000) 12.519 17.885 ( 0.000 26.059 0.000) 26.059 17.893 ( 0.000 -4.760 0.000) 4.760 17.982 ( 0.000 4.215 0.000) 4.215 18.315 ( 0.000 -2.811 0.000) 2.811 19.096 ( 0.000 2.850 0.000) 2.850 19.487 ( 0.000 1.129 0.000) 1.129 20.162 ( 0.000 3.293 0.000) 3.293 20.375 ( 0.000 -2.303 0.000) 2.303 20.433 ( 0.000 -2.848 0.000) 2.848 21.132 ( 0.000 -9.908 0.000) 9.908 21.168 ( 0.000 -6.551 0.000) 6.551 21.223 ( 0.000 -0.651 0.000) 0.651 21.512 ( 0.000 -7.717 0.000) 7.717 22.232 ( 0.000 -3.549 0.000) 3.549 23.151 ( 0.000 -6.607 0.000) 6.607 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 19.373 25.251 0.000) 31.826 1.036 ( 30.328 18.943 0.000) 35.757 2.091 ( 35.620 56.370 0.000) 66.681 2.268 ( -4.417 -5.355 0.000) 6.942 2.390 ( 7.554 12.327 0.000) 14.457 2.717 ( 5.169 26.888 0.000) 27.380 2.951 ( -4.047 15.413 0.000) 15.936 3.061 ( -4.872 18.587 0.000) 19.215 3.267 ( -7.562 3.043 0.000) 8.151 3.283 ( -1.543 21.614 0.000) 21.669 3.388 ( -10.167 23.410 0.000) 25.523 3.615 ( 0.986 9.609 0.000) 9.660 3.881 ( -3.580 0.079 0.000) 3.581 3.906 ( -1.770 11.961 0.000) 12.092 3.942 ( -1.749 16.617 0.000) 16.709 4.088 ( 0.719 15.239 0.000) 15.256 4.100 ( -4.038 4.928 0.000) 6.371 4.209 ( 1.658 21.029 0.000) 21.094 4.250 ( -12.818 -2.864 0.000) 13.134 4.495 ( 23.092 1.294 0.000) 23.128 4.716 ( 2.009 0.949 0.000) 2.222 4.945 ( -3.331 8.224 0.000) 8.873 5.181 ( -2.133 18.879 0.000) 18.999 5.298 ( -13.554 25.332 0.000) 28.731 5.845 ( -4.279 3.852 0.000) 5.757 5.931 ( -10.211 -1.497 0.000) 10.320 6.338 ( 7.094 0.738 0.000) 7.132 6.604 ( 13.192 0.785 0.000) 13.215 6.670 ( -1.018 5.294 0.000) 5.391 7.244 ( 3.325 -4.424 0.000) 5.534 7.303 ( 8.732 -1.076 0.000) 8.798 7.528 ( 1.211 -8.431 0.000) 8.518 7.792 ( 7.209 -5.935 0.000) 9.338 8.029 ( -12.983 -1.745 0.000) 13.100 8.842 ( 15.281 -2.542 0.000) 15.491 8.922 ( -7.600 11.772 0.000) 14.012 9.157 ( 4.478 4.160 0.000) 6.112 9.230 ( -7.811 21.863 0.000) 23.217 9.428 ( 3.081 3.716 0.000) 4.827 9.875 ( 9.718 3.915 0.000) 10.477 10.036 ( -17.986 6.620 0.000) 19.165 10.221 ( 4.924 -3.258 0.000) 5.904 10.360 ( -3.743 3.464 0.000) 5.100 10.956 ( -6.895 14.187 0.000) 15.774 11.007 ( -5.652 -2.089 0.000) 6.026 11.075 ( 4.479 19.497 0.000) 20.005 11.555 ( -2.802 -3.721 0.000) 4.658 11.877 ( -3.735 -9.143 0.000) 9.876 12.146 ( -0.499 5.054 0.000) 5.078 12.402 ( -8.373 12.615 0.000) 15.141 12.442 ( -0.251 -9.061 0.000) 9.065 12.879 ( -13.084 2.586 0.000) 13.337 12.984 ( -1.336 7.697 0.000) 7.812 13.172 ( -4.027 2.037 0.000) 4.513 13.252 ( 3.128 10.453 0.000) 10.911 13.572 ( -15.308 24.816 0.000) 29.158 13.937 ( 8.613 7.971 0.000) 11.735 14.393 ( 0.222 -11.688 0.000) 11.690 14.799 ( 11.987 -17.393 0.000) 21.124 15.002 ( -1.082 -20.161 0.000) 20.190 15.125 ( 4.550 -22.362 0.000) 22.821 15.330 ( 1.235 1.271 0.000) 1.772 15.366 ( -0.701 -2.006 0.000) 2.125 15.433 ( 1.497 3.698 0.000) 3.990 16.199 ( 5.477 0.823 0.000) 5.539 16.697 ( 1.962 2.263 0.000) 2.995 16.823 ( 0.024 -5.482 0.000) 5.482 16.961 ( -8.031 -10.189 0.000) 12.974 17.086 ( 18.768 1.149 0.000) 18.803 17.852 ( -3.030 19.205 0.000) 19.442 17.868 ( -2.090 -3.013 0.000) 3.667 17.995 ( 1.039 10.150 0.000) 10.203 18.231 ( -7.467 -1.308 0.000) 7.581 18.696 ( -39.025 52.053 0.000) 65.057 19.167 ( 6.509 2.368 0.000) 6.926 19.665 ( -6.148 -0.125 0.000) 6.149 20.527 ( 8.669 -3.807 0.000) 9.468 20.998 ( 8.630 -13.012 0.000) 15.614 21.113 ( -1.582 -9.268 0.000) 9.402 21.174 ( 0.322 -5.680 0.000) 5.689 21.226 ( 0.266 -0.827 0.000) 0.869 21.447 ( -9.771 -13.449 0.000) 16.624 22.439 ( 15.743 -6.015 0.000) 16.854 23.102 ( -4.652 -6.491 0.000) 7.986 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 26.768 -0.724 0.000) 26.778 1.697 ( 28.760 6.684 0.000) 29.527 2.076 ( -11.950 -4.090 0.000) 12.631 2.393 ( -21.626 5.217 0.000) 22.246 2.543 ( 11.288 26.097 0.000) 28.434 2.734 ( -5.154 24.908 0.000) 25.436 3.056 ( 12.494 36.824 0.000) 38.885 3.074 ( 4.429 22.511 0.000) 22.943 3.130 ( 2.591 7.805 0.000) 8.224 3.203 ( -4.015 17.536 0.000) 17.990 3.373 ( 7.662 17.190 0.000) 18.821 3.592 ( -6.742 1.450 0.000) 6.896 3.841 ( -1.762 15.422 0.000) 15.522 3.853 ( 0.389 10.796 0.000) 10.803 3.926 ( 4.051 9.052 0.000) 9.917 4.006 ( -3.746 12.224 0.000) 12.785 4.031 ( -0.640 1.937 0.000) 2.040 4.151 ( -0.727 11.928 0.000) 11.950 4.223 ( 0.561 25.246 0.000) 25.252 4.473 ( -26.287 17.235 0.000) 31.433 4.860 ( 9.272 -0.440 0.000) 9.283 4.902 ( 1.858 2.094 0.000) 2.799 5.113 ( -1.980 17.442 0.000) 17.554 5.129 ( -2.328 16.892 0.000) 17.051 5.782 ( -3.052 -3.393 0.000) 4.564 5.787 ( -1.873 -2.161 0.000) 2.860 6.457 ( 4.770 2.978 0.000) 5.623 6.569 ( -6.438 4.584 0.000) 7.903 6.971 ( 20.628 -0.329 0.000) 20.630 7.354 ( -10.456 -3.120 0.000) 10.911 7.478 ( 6.159 -1.975 0.000) 6.468 7.484 ( 7.307 -1.727 0.000) 7.508 7.797 ( -6.567 -4.366 0.000) 7.886 7.825 ( -4.376 -6.097 0.000) 7.505 8.802 ( 0.628 21.241 0.000) 21.250 8.924 ( -8.062 13.903 0.000) 16.071 9.290 ( 14.149 7.741 0.000) 16.128 9.360 ( 9.513 -1.996 0.000) 9.720 9.499 ( 1.985 1.662 0.000) 2.589 9.667 ( -16.371 9.492 0.000) 18.924 10.124 ( 11.950 1.113 0.000) 12.002 10.277 ( -4.780 -2.415 0.000) 5.355 10.337 ( 8.005 -4.143 0.000) 9.013 10.638 ( -18.175 -1.270 0.000) 18.219 11.010 ( 2.321 17.574 0.000) 17.727 11.086 ( -3.859 21.355 0.000) 21.701 11.580 ( 6.932 -1.053 0.000) 7.011 11.761 ( -8.207 -3.346 0.000) 8.863 12.217 ( 5.654 -3.420 0.000) 6.608 12.287 ( -2.546 3.118 0.000) 4.025 12.447 ( 2.239 -0.938 0.000) 2.428 12.615 ( -12.455 -0.514 0.000) 12.466 12.986 ( 2.066 4.561 0.000) 5.007 13.065 ( -5.110 2.918 0.000) 5.884 13.313 ( 2.789 15.100 0.000) 15.356 13.386 ( -5.028 19.379 0.000) 20.021 14.148 ( 10.525 0.874 0.000) 10.561 14.332 ( -6.413 -6.132 0.000) 8.873 14.917 ( 3.070 -9.279 0.000) 9.773 14.970 ( -2.073 -9.775 0.000) 9.993 15.226 ( 4.775 -21.721 0.000) 22.240 15.315 ( -3.757 -12.771 0.000) 13.312 15.376 ( 3.089 -3.023 0.000) 4.322 15.434 ( -1.764 -4.392 0.000) 4.733 16.420 ( 14.337 -1.052 0.000) 14.375 16.726 ( -13.826 -5.155 0.000) 14.756 16.749 ( 2.618 -0.103 0.000) 2.620 16.801 ( -1.969 -3.116 0.000) 3.686 17.491 ( 18.393 3.733 0.000) 18.768 17.760 ( -6.783 11.822 0.000) 13.630 17.842 ( 0.829 0.961 0.000) 1.269 17.950 ( -8.079 0.666 0.000) 8.106 18.117 ( 1.167 19.262 0.000) 19.298 18.240 ( -10.823 36.566 0.000) 38.134 19.340 ( 9.455 0.812 0.000) 9.490 19.527 ( -7.978 -0.834 0.000) 8.022 20.769 ( 14.120 -5.995 0.000) 15.340 21.044 ( -3.619 -7.959 0.000) 8.743 21.080 ( -1.337 -8.248 0.000) 8.356 21.091 ( -8.709 -8.313 0.000) 12.040 21.233 ( 0.399 -1.276 0.000) 1.337 21.254 ( -3.190 -3.781 0.000) 4.947 22.741 ( 12.699 -6.351 0.000) 14.199 22.963 ( -8.756 -6.301 0.000) 10.787 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 32.385 0.000) 32.385 1.656 ( 0.000 31.235 0.000) 31.235 2.321 ( 0.000 4.245 0.000) 4.245 2.758 ( 0.000 22.020 0.000) 22.020 2.983 ( 0.000 55.722 0.000) 55.722 3.262 ( 0.000 22.640 0.000) 22.640 3.448 ( 0.000 16.788 0.000) 16.788 3.480 ( 0.000 21.804 0.000) 21.804 3.584 ( 0.000 30.990 0.000) 30.990 3.698 ( 0.000 21.784 0.000) 21.784 3.962 ( 0.000 12.603 0.000) 12.603 3.964 ( 0.000 12.673 0.000) 12.673 3.998 ( 0.000 3.125 0.000) 3.125 4.189 ( 0.000 6.811 0.000) 6.811 4.196 ( 0.000 9.783 0.000) 9.783 4.305 ( 0.000 8.011 0.000) 8.011 4.357 ( 0.000 25.026 0.000) 25.026 4.409 ( 0.000 10.740 0.000) 10.740 4.438 ( 0.000 24.582 0.000) 24.582 4.777 ( 0.000 12.477 0.000) 12.477 4.828 ( 0.000 30.580 0.000) 30.580 5.328 ( 0.000 26.684 0.000) 26.684 5.751 ( 0.000 31.293 0.000) 31.293 6.002 ( 0.000 26.797 0.000) 26.797 6.058 ( 0.000 7.127 0.000) 7.127 6.145 ( 0.000 2.970 0.000) 2.970 6.211 ( 0.000 4.037 0.000) 4.037 6.486 ( 0.000 2.066 0.000) 2.066 6.948 ( 0.000 22.040 0.000) 22.040 7.179 ( 0.000 -10.179 0.000) 10.179 7.234 ( 0.000 -0.070 0.000) 0.070 7.249 ( 0.000 3.237 0.000) 3.237 7.645 ( 0.000 0.469 0.000) 0.469 8.206 ( 0.000 0.334 0.000) 0.334 8.532 ( 0.000 -5.574 0.000) 5.574 9.051 ( 0.000 6.614 0.000) 6.614 9.146 ( 0.000 -3.327 0.000) 3.327 9.294 ( 0.000 -5.162 0.000) 5.162 9.780 ( 0.000 -7.626 0.000) 7.626 10.091 ( 0.000 3.693 0.000) 3.693 10.102 ( 0.000 38.238 0.000) 38.238 10.159 ( 0.000 -5.977 0.000) 5.977 10.621 ( 0.000 12.714 0.000) 12.714 10.974 ( 0.000 -4.924 0.000) 4.924 11.155 ( 0.000 -4.753 0.000) 4.753 11.351 ( 0.000 0.958 0.000) 0.958 11.662 ( 0.000 23.976 0.000) 23.976 11.903 ( 0.000 12.272 0.000) 12.272 12.184 ( 0.000 -13.443 0.000) 13.443 12.450 ( 0.000 14.620 0.000) 14.620 12.594 ( 0.000 2.557 0.000) 2.557 13.114 ( 0.000 -1.590 0.000) 1.590 13.143 ( 0.000 3.447 0.000) 3.447 13.334 ( 0.000 7.521 0.000) 7.521 13.350 ( 0.000 6.254 0.000) 6.254 14.097 ( 0.000 -13.247 0.000) 13.247 14.170 ( 0.000 18.840 0.000) 18.840 14.256 ( 0.000 -28.422 0.000) 28.422 14.276 ( 0.000 7.885 0.000) 7.885 14.450 ( 0.000 12.909 0.000) 12.909 14.913 ( 0.000 -7.198 0.000) 7.198 15.358 ( 0.000 -2.363 0.000) 2.363 15.402 ( 0.000 4.878 0.000) 4.878 15.781 ( 0.000 19.422 0.000) 19.422 16.249 ( 0.000 4.818 0.000) 4.818 16.630 ( 0.000 -10.729 0.000) 10.729 16.647 ( 0.000 -4.948 0.000) 4.948 16.751 ( 0.000 -15.380 0.000) 15.380 16.838 ( 0.000 -1.066 0.000) 1.066 17.794 ( 0.000 -4.480 0.000) 4.480 18.035 ( 0.000 0.303 0.000) 0.303 18.234 ( 0.000 -4.562 0.000) 4.562 18.418 ( 0.000 22.499 0.000) 22.499 19.168 ( 0.000 3.819 0.000) 3.819 19.475 ( 0.000 -2.717 0.000) 2.717 20.263 ( 0.000 6.400 0.000) 6.400 20.301 ( 0.000 -5.009 0.000) 5.009 20.323 ( 0.000 -8.166 0.000) 8.166 20.868 ( 0.000 -14.803 0.000) 14.803 20.980 ( 0.000 -11.474 0.000) 11.474 21.231 ( 0.000 1.879 0.000) 1.879 21.289 ( 0.000 -13.815 0.000) 13.815 22.131 ( 0.000 -6.071 0.000) 6.071 22.968 ( 0.000 -10.863 0.000) 10.863 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 17.315 25.415 0.000) 30.753 1.621 ( -0.631 28.831 0.000) 28.838 2.247 ( -6.245 4.329 0.000) 7.599 2.582 ( -7.233 14.374 0.000) 16.091 3.223 ( 8.257 49.917 0.000) 50.596 3.329 ( 5.506 19.389 0.000) 20.156 3.385 ( -7.570 8.672 0.000) 11.511 3.408 ( -2.417 22.176 0.000) 22.308 3.672 ( 10.601 39.735 0.000) 41.125 3.762 ( -8.093 6.676 0.000) 10.491 3.788 ( -4.744 23.839 0.000) 24.307 3.868 ( -6.862 7.162 0.000) 9.919 3.977 ( 1.023 21.539 0.000) 21.563 4.065 ( -1.573 3.327 0.000) 3.680 4.230 ( -2.786 15.684 0.000) 15.930 4.335 ( -5.264 13.590 0.000) 14.574 4.337 ( -1.046 18.535 0.000) 18.565 4.498 ( 8.063 15.918 0.000) 17.843 4.534 ( 11.236 14.295 0.000) 18.182 4.844 ( 6.342 15.278 0.000) 16.542 4.909 ( 7.028 32.334 0.000) 33.089 5.289 ( -3.623 25.572 0.000) 25.827 5.676 ( -6.466 27.226 0.000) 27.983 5.839 ( -9.081 16.556 0.000) 18.883 5.924 ( -11.316 1.168 0.000) 11.376 6.033 ( -12.222 23.257 0.000) 26.273 6.417 ( 10.652 9.519 0.000) 14.285 6.632 ( 13.089 2.117 0.000) 13.259 6.892 ( -3.591 16.670 0.000) 17.052 7.120 ( 5.604 -7.128 0.000) 9.067 7.325 ( 6.825 2.022 0.000) 7.118 7.380 ( 4.042 -3.228 0.000) 5.173 7.710 ( 3.918 -1.904 0.000) 4.356 8.001 ( -13.976 -0.599 0.000) 13.989 8.778 ( 15.998 -3.580 0.000) 16.394 9.037 ( -3.569 2.504 0.000) 4.360 9.163 ( 4.629 -0.461 0.000) 4.652 9.236 ( -3.812 -7.277 0.000) 8.215 9.787 ( 0.710 1.520 0.000) 1.678 10.058 ( -8.606 -3.895 0.000) 9.446 10.101 ( 1.769 11.534 0.000) 11.669 10.193 ( 7.177 20.887 0.000) 22.086 10.588 ( -4.832 16.195 0.000) 16.900 10.822 ( -10.051 -7.854 0.000) 12.756 11.263 ( 6.734 4.503 0.000) 8.101 11.401 ( 4.306 -2.904 0.000) 5.194 11.662 ( -0.759 26.831 0.000) 26.841 11.795 ( -8.347 6.993 0.000) 10.889 12.213 ( 1.984 -9.456 0.000) 9.662 12.368 ( -3.949 11.313 0.000) 11.982 12.564 ( -3.595 5.098 0.000) 6.239 12.948 ( -14.018 1.521 0.000) 14.100 13.115 ( -1.762 4.335 0.000) 4.680 13.281 ( -4.442 7.438 0.000) 8.663 13.452 ( 7.708 8.373 0.000) 11.381 14.009 ( -14.908 18.287 0.000) 23.594 14.109 ( -1.838 0.413 0.000) 1.883 14.132 ( 2.254 -12.901 0.000) 13.097 14.420 ( 11.151 -12.062 0.000) 16.427 14.611 ( 7.028 0.348 0.000) 7.037 14.957 ( 3.727 -4.930 0.000) 6.180 15.306 ( -5.131 -2.825 0.000) 5.857 15.391 ( -0.603 4.025 0.000) 4.070 15.704 ( -7.373 15.851 0.000) 17.482 16.245 ( 4.292 4.346 0.000) 6.109 16.653 ( 0.396 -5.993 0.000) 6.006 16.656 ( 1.296 -10.618 0.000) 10.697 16.720 ( -2.986 -12.106 0.000) 12.468 17.089 ( 19.217 -1.001 0.000) 19.243 17.787 ( -0.375 -4.296 0.000) 4.313 17.965 ( -5.959 -0.428 0.000) 5.975 18.144 ( -8.363 -3.903 0.000) 9.229 18.480 ( 5.734 22.561 0.000) 23.279 19.231 ( 5.557 3.635 0.000) 6.641 19.322 ( -17.370 12.464 0.000) 21.379 19.701 ( -16.467 5.179 0.000) 17.262 20.392 ( 6.505 -9.531 0.000) 11.540 20.741 ( 10.366 -11.707 0.000) 15.637 20.862 ( -0.525 -14.301 0.000) 14.311 21.023 ( 2.691 -8.276 0.000) 8.703 21.171 ( -8.083 -14.080 0.000) 16.235 21.231 ( -0.067 1.671 0.000) 1.673 22.297 ( 13.169 -7.886 0.000) 15.350 22.922 ( -4.370 -10.670 0.000) 11.530 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 7.275 12.998 0.000) 14.895 1.816 ( 2.304 5.263 0.000) 5.745 2.222 ( 12.299 18.057 0.000) 21.847 2.537 ( -4.452 12.627 0.000) 13.389 2.967 ( -8.848 12.334 0.000) 15.180 3.189 ( -19.646 8.967 0.000) 21.596 3.464 ( 7.188 11.856 0.000) 13.865 3.490 ( 4.748 32.573 0.000) 32.917 3.550 ( -0.960 28.262 0.000) 28.279 3.661 ( -9.605 15.931 0.000) 18.602 3.863 ( 4.224 19.078 0.000) 19.540 3.960 ( 6.280 3.784 0.000) 7.332 3.977 ( -1.889 26.417 0.000) 26.485 4.067 ( -0.767 7.460 0.000) 7.499 4.247 ( -1.771 16.640 0.000) 16.734 4.278 ( -2.276 18.666 0.000) 18.804 4.345 ( 16.097 35.733 0.000) 39.192 4.569 ( -2.011 18.512 0.000) 18.620 4.784 ( 12.961 21.002 0.000) 24.679 5.010 ( 7.349 26.714 0.000) 27.706 5.060 ( 4.774 28.809 0.000) 29.202 5.134 ( -14.132 28.601 0.000) 31.902 5.532 ( -5.746 20.090 0.000) 20.895 5.570 ( -12.564 25.923 0.000) 28.807 5.749 ( -4.143 0.904 0.000) 4.240 5.781 ( -6.692 3.268 0.000) 7.448 6.615 ( 8.340 14.533 0.000) 16.756 6.771 ( -7.015 16.341 0.000) 17.784 6.976 ( 18.623 1.103 0.000) 18.655 7.311 ( -10.630 -1.026 0.000) 10.679 7.412 ( 16.396 -4.862 0.000) 17.102 7.498 ( 8.980 1.897 0.000) 9.178 7.694 ( -6.881 -5.679 0.000) 8.922 7.720 ( -11.629 -1.259 0.000) 11.697 8.965 ( -1.500 -0.260 0.000) 1.522 8.971 ( 0.536 -2.992 0.000) 3.039 9.262 ( 6.810 -7.363 0.000) 10.030 9.296 ( 5.121 -3.726 0.000) 6.333 9.798 ( 0.197 7.168 0.000) 7.171 9.868 ( -7.792 2.136 0.000) 8.080 10.183 ( 7.303 5.373 0.000) 9.066 10.379 ( 10.566 16.501 0.000) 19.594 10.397 ( -11.836 10.613 0.000) 15.897 10.610 ( -10.949 4.929 0.000) 12.008 11.404 ( 6.916 18.283 0.000) 19.547 11.489 ( 2.178 -0.324 0.000) 2.202 11.601 ( -3.639 19.242 0.000) 19.583 11.642 ( -5.582 -5.029 0.000) 7.513 12.269 ( 5.563 5.503 0.000) 7.825 12.416 ( 7.552 0.699 0.000) 7.585 12.433 ( -8.494 8.862 0.000) 12.276 12.640 ( -13.747 1.608 0.000) 13.841 13.108 ( 1.621 6.795 0.000) 6.986 13.179 ( -4.781 7.990 0.000) 9.312 13.606 ( 6.849 12.060 0.000) 13.869 13.761 ( -9.074 16.206 0.000) 18.574 14.113 ( 1.775 -6.488 0.000) 6.726 14.150 ( -0.897 -10.736 0.000) 10.773 14.639 ( 8.228 -8.275 0.000) 11.669 14.704 ( 1.659 -4.496 0.000) 4.793 15.042 ( 4.350 -1.930 0.000) 4.759 15.164 ( -7.493 -2.771 0.000) 7.989 15.411 ( 3.429 3.822 0.000) 5.135 15.535 ( -7.836 8.547 0.000) 11.595 16.415 ( 10.072 1.206 0.000) 10.143 16.602 ( -7.037 -6.414 0.000) 9.522 16.675 ( 0.423 -8.732 0.000) 8.742 16.675 ( 0.095 -6.205 0.000) 6.206 17.496 ( 18.721 -2.620 0.000) 18.903 17.802 ( 2.519 -3.535 0.000) 4.340 17.809 ( -10.055 -2.782 0.000) 10.433 17.928 ( -10.413 -2.876 0.000) 10.803 18.645 ( 10.303 24.595 0.000) 26.666 18.922 ( -16.924 25.844 0.000) 30.892 19.369 ( 7.147 1.972 0.000) 7.414 19.511 ( -6.640 -0.460 0.000) 6.655 20.582 ( 11.488 -12.223 0.000) 16.774 20.813 ( -3.466 -14.327 0.000) 14.740 20.851 ( -0.478 -13.385 0.000) 13.394 20.872 ( -8.835 -12.495 0.000) 15.304 21.179 ( 3.413 -2.919 0.000) 4.491 21.223 ( -0.980 0.572 0.000) 1.135 22.573 ( 12.310 -9.618 0.000) 15.622 22.789 ( -8.460 -10.238 0.000) 13.281 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 24.004 0.000) 24.004 2.145 ( 0.000 18.153 0.000) 18.153 2.493 ( 0.000 13.402 0.000) 13.402 3.252 ( 0.000 24.734 0.000) 24.734 3.381 ( 0.000 -2.212 0.000) 2.212 3.510 ( 0.000 13.189 0.000) 13.189 3.873 ( 0.000 13.498 0.000) 13.498 4.005 ( 0.000 9.138 0.000) 9.138 4.006 ( 0.000 -1.657 0.000) 1.657 4.022 ( 0.000 9.711 0.000) 9.711 4.160 ( 0.000 13.505 0.000) 13.505 4.206 ( 0.000 11.046 0.000) 11.046 4.367 ( 0.000 32.072 0.000) 32.072 4.368 ( 0.000 4.752 0.000) 4.752 4.383 ( 0.000 12.409 0.000) 12.409 4.590 ( 0.000 40.749 0.000) 40.749 4.807 ( 0.000 21.928 0.000) 21.928 4.865 ( 0.000 18.238 0.000) 18.238 5.139 ( 0.000 18.389 0.000) 18.389 5.157 ( 0.000 45.928 0.000) 45.928 5.320 ( 0.000 16.288 0.000) 16.288 5.901 ( 0.000 20.183 0.000) 20.183 6.120 ( 0.000 5.167 0.000) 5.167 6.227 ( 0.000 10.855 0.000) 10.855 6.257 ( 0.000 6.783 0.000) 6.783 6.373 ( 0.000 13.371 0.000) 13.371 6.601 ( 0.000 12.374 0.000) 12.374 6.671 ( 0.000 38.066 0.000) 38.066 7.176 ( 0.000 1.903 0.000) 1.903 7.270 ( 0.000 -1.225 0.000) 1.225 7.270 ( 0.000 20.977 0.000) 20.977 7.623 ( 0.000 34.462 0.000) 34.462 7.767 ( 0.000 12.766 0.000) 12.766 8.238 ( 0.000 3.438 0.000) 3.438 8.411 ( 0.000 -5.407 0.000) 5.407 9.133 ( 0.000 3.085 0.000) 3.085 9.161 ( 0.000 -7.835 0.000) 7.835 9.185 ( 0.000 6.251 0.000) 6.251 9.490 ( 0.000 -16.806 0.000) 16.806 9.927 ( 0.000 -17.170 0.000) 17.170 10.333 ( 0.000 17.046 0.000) 17.046 10.808 ( 0.000 29.311 0.000) 29.311 10.952 ( 0.000 17.512 0.000) 17.512 10.985 ( 0.000 -6.004 0.000) 6.004 11.030 ( 0.000 11.520 0.000) 11.520 11.268 ( 0.000 -5.318 0.000) 5.318 11.905 ( 0.000 -13.178 0.000) 13.178 12.206 ( 0.000 12.782 0.000) 12.782 12.237 ( 0.000 26.727 0.000) 26.727 12.574 ( 0.000 -6.868 0.000) 6.868 12.603 ( 0.000 -1.994 0.000) 1.994 13.117 ( 0.000 1.874 0.000) 1.874 13.217 ( 0.000 7.697 0.000) 7.697 13.429 ( 0.000 2.072 0.000) 2.072 13.459 ( 0.000 4.171 0.000) 4.171 13.849 ( 0.000 -10.799 0.000) 10.799 14.046 ( 0.000 8.387 0.000) 8.387 14.489 ( 0.000 11.740 0.000) 11.740 14.550 ( 0.000 17.399 0.000) 17.399 14.717 ( 0.000 12.550 0.000) 12.550 14.834 ( 0.000 0.669 0.000) 0.669 15.324 ( 0.000 -0.237 0.000) 0.237 15.493 ( 0.000 3.366 0.000) 3.366 16.112 ( 0.000 8.980 0.000) 8.980 16.375 ( 0.000 7.807 0.000) 7.807 16.394 ( 0.000 -8.937 0.000) 8.937 16.438 ( 0.000 -15.072 0.000) 15.072 16.499 ( 0.000 -9.082 0.000) 9.082 16.829 ( 0.000 0.551 0.000) 0.551 17.707 ( 0.000 -4.367 0.000) 4.367 17.988 ( 0.000 -4.712 0.000) 4.712 18.125 ( 0.000 -6.096 0.000) 6.096 18.746 ( 0.000 9.158 0.000) 9.158 19.229 ( 0.000 1.341 0.000) 1.341 19.377 ( 0.000 -6.657 0.000) 6.657 20.121 ( 0.000 -10.383 0.000) 10.383 20.165 ( 0.000 -8.526 0.000) 8.526 20.417 ( 0.000 8.711 0.000) 8.711 20.579 ( 0.000 -12.333 0.000) 12.333 20.721 ( 0.000 -13.341 0.000) 13.341 20.967 ( 0.000 -17.192 0.000) 17.192 21.302 ( 0.000 4.795 0.000) 4.795 21.994 ( 0.000 -7.154 0.000) 7.154 22.730 ( 0.000 -11.917 0.000) 11.917 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 3.345 16.770 0.000) 17.100 2.086 ( -5.098 17.916 0.000) 18.627 2.483 ( 2.091 19.083 0.000) 19.197 3.026 ( -10.752 26.091 0.000) 28.220 3.440 ( 4.454 -0.869 0.000) 4.538 3.600 ( -7.994 12.663 0.000) 14.975 3.761 ( -14.879 8.013 0.000) 16.899 3.842 ( -6.246 4.969 0.000) 7.981 3.983 ( -4.205 5.409 0.000) 6.851 3.986 ( -2.156 0.725 0.000) 2.275 4.094 ( 0.295 14.122 0.000) 14.125 4.117 ( 4.261 26.489 0.000) 26.829 4.312 ( 5.122 18.270 0.000) 18.975 4.482 ( 1.795 13.959 0.000) 14.074 4.626 ( 6.275 10.851 0.000) 12.534 4.722 ( 2.614 29.533 0.000) 29.648 4.765 ( -1.757 17.716 0.000) 17.803 4.844 ( 0.196 23.670 0.000) 23.670 5.104 ( 7.289 42.684 0.000) 43.302 5.268 ( 11.312 20.113 0.000) 23.076 5.478 ( 9.513 23.326 0.000) 25.192 5.846 ( -4.859 17.152 0.000) 17.827 5.982 ( -8.410 6.575 0.000) 10.675 6.042 ( -9.446 17.910 0.000) 20.248 6.194 ( -7.998 21.166 0.000) 22.627 6.610 ( 7.705 19.736 0.000) 21.186 6.709 ( 12.585 8.471 0.000) 15.170 6.846 ( 11.427 29.582 0.000) 31.712 7.092 ( -9.227 13.855 0.000) 16.646 7.193 ( 0.904 6.866 0.000) 6.926 7.324 ( 4.910 -1.832 0.000) 5.241 7.566 ( -5.000 23.297 0.000) 23.827 7.789 ( 0.932 11.072 0.000) 11.112 8.042 ( -11.271 6.774 0.000) 13.150 8.703 ( 17.605 -3.433 0.000) 17.936 9.064 ( -5.852 2.188 0.000) 6.247 9.067 ( -5.854 -8.677 0.000) 10.467 9.206 ( 1.778 3.939 0.000) 4.321 9.580 ( 5.907 -14.841 0.000) 15.973 9.868 ( -5.196 -14.909 0.000) 15.789 10.325 ( -0.251 15.269 0.000) 15.271 10.746 ( -11.702 1.753 0.000) 11.832 10.818 ( 1.066 27.326 0.000) 27.347 10.949 ( -1.095 16.395 0.000) 16.431 11.297 ( 14.721 6.569 0.000) 16.120 11.304 ( 3.781 -4.170 0.000) 5.629 11.969 ( 4.739 -9.551 0.000) 10.662 12.042 ( -13.067 11.433 0.000) 17.363 12.241 ( 0.793 22.799 0.000) 22.813 12.537 ( -3.175 1.078 0.000) 3.354 12.617 ( -0.657 -0.374 0.000) 0.756 12.978 ( -12.179 2.427 0.000) 12.418 13.188 ( 0.102 4.888 0.000) 4.889 13.399 ( -2.416 3.286 0.000) 4.078 13.580 ( 8.599 3.825 0.000) 9.412 13.891 ( 2.758 -10.294 0.000) 10.657 14.024 ( -1.106 5.613 0.000) 5.720 14.344 ( -11.604 14.622 0.000) 18.667 14.588 ( 3.635 14.212 0.000) 14.669 14.732 ( 0.808 9.157 0.000) 9.193 14.940 ( 8.536 4.461 0.000) 9.631 15.279 ( -4.282 0.597 0.000) 4.323 15.465 ( -1.774 2.569 0.000) 3.122 15.996 ( -10.990 12.375 0.000) 16.550 16.372 ( 3.402 -0.779 0.000) 3.490 16.419 ( 1.746 -3.675 0.000) 4.069 16.449 ( 0.903 -11.863 0.000) 11.897 16.513 ( 1.073 -9.791 0.000) 9.849 17.046 ( 16.202 -2.955 0.000) 16.470 17.692 ( -0.949 -5.284 0.000) 5.369 17.901 ( -7.540 -5.538 0.000) 9.355 18.036 ( -8.198 -6.424 0.000) 10.416 18.824 ( 7.250 10.446 0.000) 12.716 19.297 ( 5.527 2.111 0.000) 5.916 19.377 ( -0.410 -2.811 0.000) 2.840 19.833 ( -20.550 5.236 0.000) 21.207 20.158 ( 3.788 -12.281 0.000) 12.852 20.489 ( 1.796 -13.784 0.000) 13.901 20.577 ( -0.196 -12.490 0.000) 12.492 20.820 ( -8.899 -14.213 0.000) 16.769 20.934 ( 11.295 -5.187 0.000) 12.429 21.295 ( -0.772 4.373 0.000) 4.440 22.125 ( 10.817 -8.678 0.000) 13.868 22.689 ( -4.005 -11.730 0.000) 12.395 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -1.342 10.238 0.000) 10.325 1.985 ( -3.270 14.801 0.000) 15.158 2.688 ( 16.683 25.378 0.000) 30.371 2.934 ( -0.466 24.265 0.000) 24.269 3.236 ( -16.763 15.128 0.000) 22.580 3.308 ( -16.865 6.431 0.000) 18.050 3.619 ( 6.247 5.139 0.000) 8.090 3.764 ( -6.051 1.677 0.000) 6.279 3.971 ( 1.110 1.336 0.000) 1.737 3.989 ( 0.631 0.886 0.000) 1.088 4.142 ( 4.493 22.986 0.000) 23.421 4.215 ( 1.188 28.674 0.000) 28.698 4.434 ( 6.234 14.908 0.000) 16.159 4.486 ( 1.129 11.964 0.000) 12.017 4.580 ( -8.411 17.986 0.000) 19.856 4.583 ( -6.225 19.288 0.000) 20.268 4.832 ( 4.570 12.682 0.000) 13.480 4.876 ( 0.324 19.333 0.000) 19.336 5.485 ( 19.982 35.832 0.000) 41.027 5.545 ( 13.482 20.399 0.000) 24.452 5.654 ( 6.670 16.698 0.000) 17.981 5.730 ( -5.702 10.445 0.000) 11.900 5.854 ( -4.733 23.735 0.000) 24.202 5.870 ( -7.143 29.041 0.000) 29.907 6.019 ( -2.573 26.764 0.000) 26.887 6.334 ( -24.624 39.759 0.000) 46.767 7.020 ( 12.620 5.361 0.000) 13.712 7.077 ( 12.652 25.342 0.000) 28.325 7.131 ( 0.268 3.888 0.000) 3.897 7.289 ( 8.140 7.467 0.000) 11.046 7.405 ( -8.253 10.075 0.000) 13.024 7.434 ( 3.484 -5.141 0.000) 6.210 7.760 ( -2.993 12.528 0.000) 12.880 7.818 ( -9.060 12.243 0.000) 15.231 8.911 ( 0.240 -2.054 0.000) 2.068 8.945 ( -4.277 -0.081 0.000) 4.278 9.097 ( 10.196 -8.025 0.000) 12.976 9.227 ( -1.285 -2.646 0.000) 2.941 9.672 ( 3.014 -12.409 0.000) 12.770 9.748 ( -5.243 -11.645 0.000) 12.771 10.360 ( 4.519 11.961 0.000) 12.786 10.517 ( -10.009 6.561 0.000) 11.968 10.854 ( 2.441 21.195 0.000) 21.335 10.910 ( -2.556 16.077 0.000) 16.279 11.436 ( 8.940 0.234 0.000) 8.943 11.567 ( 5.814 5.445 0.000) 7.966 11.794 ( -4.445 13.140 0.000) 13.872 11.952 ( -8.579 9.242 0.000) 12.610 12.340 ( 9.942 5.890 0.000) 11.556 12.518 ( 2.976 5.005 0.000) 5.823 12.541 ( -6.723 0.492 0.000) 6.741 12.689 ( -13.493 4.046 0.000) 14.087 13.246 ( 4.593 5.742 0.000) 7.353 13.338 ( -3.696 5.673 0.000) 6.771 13.756 ( 8.144 1.485 0.000) 8.279 13.897 ( -3.715 -6.309 0.000) 7.322 14.031 ( 1.913 5.059 0.000) 5.408 14.118 ( -7.795 12.774 0.000) 14.964 14.683 ( 4.686 7.664 0.000) 8.983 14.740 ( -0.532 5.697 0.000) 5.722 15.090 ( 4.415 6.808 0.000) 8.114 15.172 ( -4.964 3.379 0.000) 6.005 15.501 ( 7.150 4.921 0.000) 8.680 15.732 ( -13.250 10.970 0.000) 17.202 16.453 ( 1.414 -8.291 0.000) 8.411 16.464 ( 0.273 -7.647 0.000) 7.652 16.472 ( 4.364 -0.791 0.000) 4.435 16.524 ( -0.576 -8.030 0.000) 8.051 17.396 ( 16.589 -6.839 0.000) 17.944 17.700 ( -12.127 -7.490 0.000) 14.253 17.704 ( 2.948 -6.241 0.000) 6.902 17.834 ( -9.444 -6.168 0.000) 11.280 19.029 ( 12.166 13.097 0.000) 17.876 19.291 ( -10.493 11.568 0.000) 15.618 19.410 ( 4.638 1.642 0.000) 4.920 19.509 ( -7.843 0.102 0.000) 7.843 20.287 ( 8.754 -15.995 0.000) 18.234 20.474 ( -5.544 -18.427 0.000) 19.243 20.572 ( -0.164 -12.916 0.000) 12.917 20.606 ( -6.492 -13.076 0.000) 14.599 21.152 ( 7.798 0.327 0.000) 7.805 21.259 ( -3.039 2.944 0.000) 4.231 22.365 ( 11.198 -10.419 0.000) 15.295 22.565 ( -7.895 -11.257 0.000) 13.749 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.000 11.246 0.000) 11.246 2.465 ( 0.000 14.233 0.000) 14.233 2.870 ( 0.000 21.596 0.000) 21.596 3.268 ( 0.000 -8.201 0.000) 8.201 3.659 ( 0.000 14.130 0.000) 14.130 3.760 ( 0.000 10.401 0.000) 10.401 3.937 ( 0.000 -3.051 0.000) 3.051 4.034 ( 0.000 4.780 0.000) 4.780 4.175 ( 0.000 7.304 0.000) 7.304 4.257 ( 0.000 16.100 0.000) 16.100 4.296 ( 0.000 1.085 0.000) 1.085 4.324 ( 0.000 7.001 0.000) 7.001 4.494 ( 0.000 6.667 0.000) 6.667 4.730 ( 0.000 15.730 0.000) 15.730 4.966 ( 0.000 24.799 0.000) 24.799 4.989 ( 0.000 3.261 0.000) 3.261 5.190 ( 0.000 12.078 0.000) 12.078 5.378 ( 0.000 23.229 0.000) 23.229 5.409 ( 0.000 7.982 0.000) 7.982 5.506 ( 0.000 3.266 0.000) 3.266 5.943 ( 0.000 -4.250 0.000) 4.250 6.151 ( 0.000 42.915 0.000) 42.915 6.206 ( 0.000 3.870 0.000) 3.870 6.407 ( 0.000 14.589 0.000) 14.589 6.509 ( 0.000 15.044 0.000) 15.044 6.902 ( 0.000 31.827 0.000) 31.827 7.057 ( 0.000 -4.731 0.000) 4.731 7.061 ( 0.000 30.502 0.000) 30.502 7.249 ( 0.000 5.784 0.000) 5.784 7.600 ( 0.000 36.760 0.000) 36.760 7.766 ( 0.000 21.064 0.000) 21.064 8.138 ( 0.000 22.105 0.000) 22.105 8.162 ( 0.000 4.971 0.000) 4.971 8.386 ( 0.000 11.406 0.000) 11.406 8.519 ( 0.000 27.934 0.000) 27.934 8.983 ( 0.000 -9.019 0.000) 9.019 9.191 ( 0.000 -9.971 0.000) 9.971 9.268 ( 0.000 -3.158 0.000) 3.158 9.298 ( 0.000 12.994 0.000) 12.994 9.550 ( 0.000 -12.648 0.000) 12.648 10.722 ( 0.000 19.549 0.000) 19.549 10.937 ( 0.000 3.509 0.000) 3.509 11.171 ( 0.000 -3.241 0.000) 3.241 11.274 ( 0.000 16.362 0.000) 16.362 11.338 ( 0.000 17.035 0.000) 17.035 11.400 ( 0.000 22.745 0.000) 22.745 11.700 ( 0.000 -5.398 0.000) 5.398 12.315 ( 0.000 -14.236 0.000) 14.236 12.389 ( 0.000 6.662 0.000) 6.662 12.508 ( 0.000 -7.343 0.000) 7.343 12.687 ( 0.000 17.050 0.000) 17.050 13.173 ( 0.000 2.776 0.000) 2.776 13.407 ( 0.000 9.391 0.000) 9.391 13.428 ( 0.000 -2.097 0.000) 2.097 13.520 ( 0.000 2.438 0.000) 2.438 13.671 ( 0.000 -6.124 0.000) 6.124 14.449 ( 0.000 26.386 0.000) 26.386 14.702 ( 0.000 8.551 0.000) 8.551 14.851 ( 0.000 11.287 0.000) 11.287 14.939 ( 0.000 8.814 0.000) 8.814 14.952 ( 0.000 10.269 0.000) 10.269 15.354 ( 0.000 2.653 0.000) 2.653 15.513 ( 0.000 -1.854 0.000) 1.854 15.951 ( 0.000 -16.612 0.000) 16.612 16.141 ( 0.000 -13.762 0.000) 13.762 16.295 ( 0.000 -10.347 0.000) 10.347 16.447 ( 0.000 6.147 0.000) 6.147 16.562 ( 0.000 9.636 0.000) 9.636 16.879 ( 0.000 4.630 0.000) 4.630 17.609 ( 0.000 -5.257 0.000) 5.257 17.856 ( 0.000 -7.914 0.000) 7.914 17.976 ( 0.000 -8.824 0.000) 8.824 18.803 ( 0.000 -2.700 0.000) 2.700 19.173 ( 0.000 -7.841 0.000) 7.841 19.221 ( 0.000 -7.929 0.000) 7.929 19.945 ( 0.000 -13.081 0.000) 13.081 19.972 ( 0.000 -2.645 0.000) 2.645 20.396 ( 0.000 -5.398 0.000) 5.398 20.464 ( 0.000 -11.189 0.000) 11.189 20.611 ( 0.000 -15.585 0.000) 15.585 20.616 ( 0.000 9.076 0.000) 9.076 21.416 ( 0.000 6.198 0.000) 6.198 21.846 ( 0.000 -7.210 0.000) 7.210 22.497 ( 0.000 -10.670 0.000) 10.670 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -2.139 10.246 0.000) 10.467 2.413 ( -4.871 14.829 0.000) 15.609 2.942 ( 7.720 23.257 0.000) 24.505 3.359 ( 6.796 -6.467 0.000) 9.381 3.519 ( -7.800 20.702 0.000) 22.122 3.792 ( -0.367 1.957 0.000) 1.991 3.917 ( -14.299 7.968 0.000) 16.369 3.964 ( -1.761 0.640 0.000) 1.874 4.013 ( -14.318 14.150 0.000) 20.130 4.040 ( -2.457 2.972 0.000) 3.856 4.308 ( 3.995 6.401 0.000) 7.546 4.435 ( 6.864 9.813 0.000) 11.975 4.584 ( 2.384 9.024 0.000) 9.334 4.818 ( -8.156 9.892 0.000) 12.821 4.872 ( 10.429 12.327 0.000) 16.147 5.056 ( -2.521 14.583 0.000) 14.799 5.105 ( -5.393 10.796 0.000) 12.068 5.335 ( -3.881 17.621 0.000) 18.043 5.555 ( 5.943 5.099 0.000) 7.830 5.559 ( 11.436 8.711 0.000) 14.375 5.917 ( -1.984 -0.789 0.000) 2.135 6.059 ( -0.846 17.199 0.000) 17.220 6.368 ( 8.838 39.915 0.000) 40.882 6.510 ( 6.168 10.159 0.000) 11.884 6.530 ( 0.680 19.676 0.000) 19.688 6.929 ( 3.251 18.976 0.000) 19.252 6.995 ( -1.791 5.442 0.000) 5.729 7.173 ( 8.584 16.590 0.000) 18.680 7.331 ( 7.064 9.336 0.000) 11.708 7.546 ( -18.831 19.209 0.000) 26.900 7.684 ( 6.332 35.245 0.000) 35.809 8.016 ( -7.070 18.492 0.000) 19.797 8.134 ( -0.380 21.191 0.000) 21.195 8.423 ( -8.192 28.773 0.000) 29.916 8.661 ( 16.622 0.493 0.000) 16.629 8.922 ( -3.065 -4.300 0.000) 5.281 9.182 ( -8.657 9.674 0.000) 12.982 9.252 ( -2.399 -4.882 0.000) 5.440 9.295 ( 6.923 -10.825 0.000) 12.850 9.552 ( -0.785 -8.605 0.000) 8.641 10.688 ( -2.302 19.370 0.000) 19.506 10.856 ( -6.102 8.996 0.000) 10.870 11.122 ( -2.777 0.510 0.000) 2.823 11.233 ( -4.724 12.515 0.000) 13.377 11.363 ( 7.306 12.188 0.000) 14.210 11.620 ( 13.816 21.694 0.000) 25.720 11.812 ( 9.593 -4.177 0.000) 10.463 12.203 ( -12.974 5.449 0.000) 14.072 12.363 ( 3.747 -8.949 0.000) 9.702 12.538 ( -1.070 -7.170 0.000) 7.249 12.695 ( -0.180 15.110 0.000) 15.111 13.055 ( -10.481 4.776 0.000) 11.518 13.321 ( -3.795 7.434 0.000) 8.347 13.408 ( -1.000 -2.134 0.000) 2.357 13.625 ( 6.294 1.487 0.000) 6.468 13.722 ( 3.535 -6.078 0.000) 7.032 14.347 ( -5.607 22.015 0.000) 22.718 14.605 ( -8.279 10.988 0.000) 13.758 14.842 ( -0.619 9.582 0.000) 9.602 14.916 ( -2.040 7.989 0.000) 8.246 15.137 ( 12.542 13.507 0.000) 18.432 15.323 ( -2.802 2.881 0.000) 4.019 15.481 ( -0.933 -0.977 0.000) 1.351 16.030 ( 6.380 -14.287 0.000) 15.647 16.208 ( 5.813 -11.994 0.000) 13.328 16.293 ( -10.973 8.879 0.000) 14.115 16.297 ( -0.081 -10.699 0.000) 10.700 16.588 ( -1.485 8.955 0.000) 9.077 16.980 ( 9.722 -3.347 0.000) 10.282 17.566 ( -2.966 -6.898 0.000) 7.508 17.751 ( -9.048 -8.852 0.000) 12.658 17.880 ( -8.507 -9.031 0.000) 12.407 18.912 ( 9.984 -1.081 0.000) 10.042 19.272 ( 8.154 -5.884 0.000) 10.055 19.287 ( 5.687 -5.153 0.000) 7.675 19.874 ( -10.286 -1.993 0.000) 10.478 19.961 ( -0.774 -5.031 0.000) 5.090 20.191 ( -9.321 -13.784 0.000) 16.640 20.385 ( -1.064 -6.031 0.000) 6.124 20.508 ( -8.444 -14.906 0.000) 17.131 20.925 ( 15.721 3.034 0.000) 16.011 21.400 ( -1.655 5.748 0.000) 5.982 21.951 ( 8.904 -8.326 0.000) 12.190 22.459 ( -3.737 -10.580 0.000) 11.221 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 1.503 12.159 0.000) 12.251 2.291 ( -5.873 14.812 0.000) 15.934 3.195 ( 16.164 23.136 0.000) 28.223 3.410 ( -2.222 19.496 0.000) 19.622 3.435 ( -1.150 3.830 0.000) 3.999 3.589 ( -19.775 18.892 0.000) 27.349 3.726 ( -0.924 6.831 0.000) 6.894 3.771 ( -2.424 -0.238 0.000) 2.435 3.998 ( 1.155 2.726 0.000) 2.961 4.025 ( -0.724 3.719 0.000) 3.789 4.410 ( 6.401 5.198 0.000) 8.245 4.546 ( -0.632 5.904 0.000) 5.938 4.616 ( 1.501 7.025 0.000) 7.183 4.646 ( -5.208 6.453 0.000) 8.293 4.940 ( -4.421 14.178 0.000) 14.852 4.950 ( -3.520 12.360 0.000) 12.851 5.123 ( 7.615 12.829 0.000) 14.919 5.254 ( -4.586 15.374 0.000) 16.044 5.682 ( 4.944 3.671 0.000) 6.158 5.737 ( 1.487 5.948 0.000) 6.131 5.941 ( 7.002 8.086 0.000) 10.696 6.063 ( -1.690 14.034 0.000) 14.136 6.512 ( -1.591 26.474 0.000) 26.522 6.515 ( -1.381 25.902 0.000) 25.939 6.656 ( 17.025 34.797 0.000) 38.739 6.998 ( -0.567 5.770 0.000) 5.798 7.014 ( 2.254 -6.811 0.000) 7.175 7.105 ( -19.463 19.994 0.000) 27.903 7.411 ( 12.338 18.351 0.000) 22.113 7.496 ( 5.890 12.481 0.000) 13.801 7.776 ( 1.409 29.787 0.000) 29.820 7.855 ( -8.284 26.844 0.000) 28.093 8.142 ( 2.152 24.100 0.000) 24.196 8.243 ( -7.494 27.067 0.000) 28.085 8.902 ( 1.638 1.251 0.000) 2.061 8.971 ( 12.454 -3.498 0.000) 12.936 8.999 ( -7.590 5.810 0.000) 9.559 9.166 ( -6.444 -5.639 0.000) 8.563 9.421 ( 5.027 -9.734 0.000) 10.956 9.506 ( -3.328 -7.625 0.000) 8.319 10.670 ( 1.121 18.138 0.000) 18.172 10.736 ( -4.937 14.801 0.000) 15.603 11.095 ( 0.592 3.384 0.000) 3.435 11.144 ( -3.723 7.277 0.000) 8.174 11.564 ( 11.952 10.808 0.000) 16.115 11.805 ( -5.685 15.271 0.000) 16.295 12.011 ( 2.764 9.838 0.000) 10.219 12.021 ( 7.672 0.945 0.000) 7.730 12.413 ( -0.052 -2.070 0.000) 2.071 12.458 ( -5.261 -8.137 0.000) 9.689 12.675 ( 1.010 11.911 0.000) 11.953 12.812 ( -11.001 7.610 0.000) 13.377 13.316 ( 2.802 2.114 0.000) 3.510 13.379 ( -2.306 -0.847 0.000) 2.457 13.736 ( 3.973 -1.830 0.000) 4.374 13.773 ( 0.609 -5.102 0.000) 5.139 14.308 ( 2.126 18.728 0.000) 18.848 14.421 ( -8.134 15.584 0.000) 17.579 14.838 ( 0.550 6.186 0.000) 6.211 14.869 ( -2.198 5.912 0.000) 6.307 15.255 ( -0.308 6.951 0.000) 6.958 15.264 ( -2.023 4.499 0.000) 4.933 15.643 ( 15.890 9.673 0.000) 18.603 15.990 ( -15.504 13.402 0.000) 20.494 16.188 ( 5.329 -13.872 0.000) 14.861 16.273 ( -2.348 -11.006 0.000) 11.253 16.356 ( 7.655 -8.383 0.000) 11.352 16.504 ( -6.038 0.040 0.000) 6.038 17.235 ( 13.769 -8.629 0.000) 16.250 17.518 ( -12.965 -9.965 0.000) 16.352 17.550 ( 2.616 -8.548 0.000) 8.939 17.681 ( -9.224 -8.828 0.000) 12.768 19.184 ( 15.665 1.894 0.000) 15.779 19.411 ( 4.843 -0.430 0.000) 4.862 19.425 ( 4.390 -0.539 0.000) 4.423 19.541 ( -18.223 4.443 0.000) 18.757 19.972 ( 3.099 -12.986 0.000) 13.351 20.085 ( -5.503 -19.046 0.000) 19.825 20.356 ( -1.447 -7.773 0.000) 7.907 20.360 ( -3.450 -10.511 0.000) 11.063 21.190 ( 9.817 3.309 0.000) 10.360 21.338 ( -4.720 4.589 0.000) 6.583 22.158 ( 10.113 -9.700 0.000) 14.013 22.343 ( -7.398 -10.321 0.000) 12.698 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 0.000 6.737 0.000) 6.737 2.741 ( 0.000 12.826 0.000) 12.826 3.071 ( 0.000 -10.477 0.000) 10.477 3.291 ( 0.000 18.582 0.000) 18.582 3.750 ( 0.000 -7.340 0.000) 7.340 3.881 ( 0.000 9.401 0.000) 9.401 4.065 ( 0.000 11.159 0.000) 11.159 4.097 ( 0.000 1.585 0.000) 1.585 4.300 ( 0.000 -0.510 0.000) 0.510 4.359 ( 0.000 10.887 0.000) 10.887 4.497 ( 0.000 10.468 0.000) 10.468 4.575 ( 0.000 12.736 0.000) 12.736 4.613 ( 0.000 4.219 0.000) 4.219 4.964 ( 0.000 7.747 0.000) 7.747 4.980 ( 0.000 -2.713 0.000) 2.713 5.211 ( 0.000 -6.876 0.000) 6.876 5.381 ( 0.000 16.270 0.000) 16.270 5.493 ( 0.000 0.777 0.000) 0.777 5.506 ( 0.000 -1.412 0.000) 1.412 5.613 ( 0.000 1.706 0.000) 1.706 6.012 ( 0.000 9.894 0.000) 9.894 6.233 ( 0.000 -3.069 0.000) 3.069 6.553 ( 0.000 14.057 0.000) 14.057 6.737 ( 0.000 5.403 0.000) 5.403 6.960 ( 0.000 -1.282 0.000) 1.282 7.113 ( 0.000 32.322 0.000) 32.322 7.416 ( 0.000 10.452 0.000) 10.452 7.484 ( 0.000 23.397 0.000) 23.397 7.718 ( 0.000 30.997 0.000) 30.997 8.062 ( 0.000 9.821 0.000) 9.821 8.142 ( 0.000 -2.369 0.000) 2.369 8.303 ( 0.000 29.707 0.000) 29.707 8.546 ( 0.000 0.484 0.000) 0.484 8.612 ( 0.000 23.103 0.000) 23.103 8.834 ( 0.000 -4.500 0.000) 4.500 8.969 ( 0.000 -14.587 0.000) 14.587 9.185 ( 0.000 31.175 0.000) 31.175 9.243 ( 0.000 16.301 0.000) 16.301 9.603 ( 0.000 9.991 0.000) 9.991 9.630 ( 0.000 18.324 0.000) 18.324 10.972 ( 0.000 1.883 0.000) 1.883 11.117 ( 0.000 12.474 0.000) 12.474 11.270 ( 0.000 15.379 0.000) 15.379 11.484 ( 0.000 4.341 0.000) 4.341 11.580 ( 0.000 6.862 0.000) 6.862 11.703 ( 0.000 4.376 0.000) 4.376 11.876 ( 0.000 21.308 0.000) 21.308 12.079 ( 0.000 -6.719 0.000) 6.719 12.313 ( 0.000 -10.412 0.000) 10.412 12.575 ( 0.000 13.169 0.000) 13.169 12.936 ( 0.000 7.715 0.000) 7.715 13.191 ( 0.000 -1.733 0.000) 1.733 13.351 ( 0.000 -5.203 0.000) 5.203 13.591 ( 0.000 4.865 0.000) 4.865 13.598 ( 0.000 9.281 0.000) 9.281 13.611 ( 0.000 -0.177 0.000) 0.177 14.848 ( 0.000 6.170 0.000) 6.170 14.980 ( 0.000 1.225 0.000) 1.225 14.986 ( 0.000 24.269 0.000) 24.269 15.065 ( 0.000 3.454 0.000) 3.454 15.204 ( 0.000 12.941 0.000) 12.941 15.399 ( 0.000 1.135 0.000) 1.135 15.411 ( 0.000 -7.947 0.000) 7.947 15.607 ( 0.000 -15.682 0.000) 15.682 15.903 ( 0.000 -8.602 0.000) 8.602 16.102 ( 0.000 -8.156 0.000) 8.156 16.522 ( 0.000 1.732 0.000) 1.732 16.714 ( 0.000 4.029 0.000) 4.029 17.001 ( 0.000 6.556 0.000) 6.556 17.500 ( 0.000 -5.176 0.000) 5.176 17.677 ( 0.000 -9.263 0.000) 9.263 17.760 ( 0.000 -12.056 0.000) 12.056 18.685 ( 0.000 -7.645 0.000) 7.645 18.930 ( 0.000 -14.308 0.000) 14.308 19.079 ( 0.000 -5.522 0.000) 5.522 19.641 ( 0.000 -16.092 0.000) 16.092 20.013 ( 0.000 5.473 0.000) 5.473 20.277 ( 0.000 -7.208 0.000) 7.208 20.300 ( 0.000 -12.772 0.000) 12.772 20.343 ( 0.000 -0.507 0.000) 0.507 20.837 ( 0.000 10.937 0.000) 10.937 21.549 ( 0.000 6.742 0.000) 6.742 21.701 ( 0.000 -7.013 0.000) 7.013 22.298 ( 0.000 -8.869 0.000) 8.869 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -0.640 7.958 0.000) 7.983 2.696 ( -4.330 12.905 0.000) 13.612 3.193 ( 9.900 -9.281 0.000) 13.570 3.372 ( 7.742 18.270 0.000) 19.843 3.714 ( -3.603 -6.687 0.000) 7.596 3.870 ( -1.059 12.594 0.000) 12.638 4.028 ( -3.148 6.917 0.000) 7.600 4.058 ( -10.014 4.035 0.000) 10.797 4.127 ( 0.888 6.310 0.000) 6.373 4.353 ( -10.840 16.345 0.000) 19.613 4.423 ( 0.954 6.322 0.000) 6.393 4.629 ( 3.447 8.877 0.000) 9.522 4.744 ( 5.112 6.729 0.000) 8.450 4.871 ( -8.254 -1.094 0.000) 8.327 5.053 ( 9.040 5.283 0.000) 10.470 5.135 ( -4.720 -5.769 0.000) 7.454 5.307 ( -10.945 6.734 0.000) 12.851 5.508 ( 0.745 1.349 0.000) 1.541 5.618 ( 10.596 -2.212 0.000) 10.825 5.643 ( 5.683 6.401 0.000) 8.560 6.007 ( -0.643 9.807 0.000) 9.828 6.234 ( 0.289 -0.188 0.000) 0.345 6.693 ( 10.150 10.221 0.000) 14.405 6.802 ( 5.019 6.732 0.000) 8.396 6.925 ( -2.763 -0.466 0.000) 2.802 7.151 ( 3.291 28.066 0.000) 28.258 7.262 ( -9.288 11.771 0.000) 14.994 7.596 ( 3.847 13.608 0.000) 14.141 7.774 ( 5.798 31.054 0.000) 31.590 7.837 ( -10.095 13.249 0.000) 16.657 8.301 ( 6.184 7.728 0.000) 9.898 8.363 ( 3.159 29.013 0.000) 29.184 8.593 ( -0.028 22.413 0.000) 22.413 8.633 ( 6.995 0.114 0.000) 6.996 8.857 ( 2.221 -2.600 0.000) 3.420 8.976 ( 0.377 -12.373 0.000) 12.379 9.097 ( -5.434 29.643 0.000) 30.137 9.313 ( 4.233 14.763 0.000) 15.358 9.441 ( -10.731 14.870 0.000) 18.338 9.645 ( -2.702 11.309 0.000) 11.628 10.984 ( 1.256 2.830 0.000) 3.096 11.107 ( -0.956 13.605 0.000) 13.639 11.197 ( -4.441 15.594 0.000) 16.214 11.441 ( -9.386 8.245 0.000) 12.493 11.558 ( 6.817 4.435 0.000) 8.133 11.797 ( 7.952 1.398 0.000) 8.074 12.062 ( 13.500 18.417 0.000) 22.835 12.210 ( 10.665 -3.037 0.000) 11.089 12.267 ( -4.694 -5.090 0.000) 6.924 12.420 ( -12.642 5.076 0.000) 13.623 12.924 ( -1.238 7.156 0.000) 7.263 13.147 ( -6.878 3.337 0.000) 7.645 13.335 ( 0.833 -4.385 0.000) 4.463 13.494 ( -5.401 9.515 0.000) 10.941 13.639 ( 2.158 -2.372 0.000) 3.207 13.669 ( 2.754 3.020 0.000) 4.087 14.801 ( -3.735 8.439 0.000) 9.228 14.803 ( -8.879 20.997 0.000) 22.797 14.946 ( -2.752 0.393 0.000) 2.780 15.038 ( -2.853 3.833 0.000) 4.778 15.365 ( -2.090 0.692 0.000) 2.202 15.377 ( 0.429 2.793 0.000) 2.826 15.471 ( 14.194 5.421 0.000) 15.193 15.715 ( 8.573 -14.393 0.000) 16.753 15.974 ( 6.390 -9.343 0.000) 11.319 16.107 ( 0.554 -7.606 0.000) 7.626 16.433 ( -7.908 3.072 0.000) 8.484 16.764 ( -2.475 7.805 0.000) 8.189 16.901 ( -2.376 -4.394 0.000) 4.995 17.423 ( -5.498 -6.719 0.000) 8.682 17.554 ( -10.308 -10.156 0.000) 14.471 17.665 ( -8.334 -11.780 0.000) 14.430 18.822 ( 12.087 -6.656 0.000) 13.798 19.058 ( 10.934 -13.431 0.000) 17.319 19.189 ( 8.944 -4.213 0.000) 9.887 19.700 ( 4.223 -13.800 0.000) 14.432 19.974 ( -3.801 5.017 0.000) 6.295 20.018 ( -18.678 -3.511 0.000) 19.005 20.244 ( -4.746 -10.361 0.000) 11.396 20.320 ( -2.241 -1.006 0.000) 2.457 21.030 ( 13.209 6.710 0.000) 14.816 21.524 ( -2.443 6.347 0.000) 6.801 21.788 ( 7.571 -7.668 0.000) 10.776 22.260 ( -3.672 -8.886 0.000) 9.615 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 4.475 10.791 0.000) 11.682 2.573 ( -6.929 12.633 0.000) 14.409 3.406 ( 9.747 -5.883 0.000) 11.385 3.590 ( -7.940 -3.706 0.000) 8.762 3.597 ( 13.213 15.752 0.000) 20.560 3.845 ( -5.036 10.457 0.000) 11.607 3.910 ( -5.921 10.133 0.000) 11.737 3.912 ( -3.329 9.891 0.000) 10.436 4.171 ( 1.268 10.439 0.000) 10.516 4.185 ( -2.882 16.343 0.000) 16.595 4.450 ( 3.608 0.529 0.000) 3.647 4.603 ( -8.576 -0.150 0.000) 8.578 4.763 ( 0.544 6.572 0.000) 6.595 4.774 ( -0.032 8.618 0.000) 8.618 5.053 ( -1.836 -0.946 0.000) 2.065 5.096 ( -6.853 2.099 0.000) 7.167 5.284 ( 10.186 3.393 0.000) 10.736 5.447 ( -5.564 3.719 0.000) 6.692 5.809 ( 7.493 8.051 0.000) 10.998 5.860 ( 7.753 -0.066 0.000) 7.753 6.000 ( 3.236 3.940 0.000) 5.099 6.180 ( -7.158 -3.517 0.000) 7.976 6.850 ( 2.197 10.988 0.000) 11.206 6.873 ( 0.681 9.553 0.000) 9.578 6.926 ( 6.138 1.408 0.000) 6.297 7.076 ( -8.044 6.992 0.000) 10.658 7.263 ( 7.997 20.518 0.000) 22.021 7.473 ( -11.397 10.377 0.000) 15.414 7.847 ( 6.399 20.826 0.000) 21.787 7.901 ( 3.306 24.690 0.000) 24.911 8.361 ( -1.051 26.571 0.000) 26.592 8.369 ( 0.260 20.009 0.000) 20.010 8.667 ( 5.338 24.839 0.000) 25.406 8.733 ( 0.429 15.027 0.000) 15.033 8.917 ( 3.138 -2.141 0.000) 3.798 8.968 ( -1.453 -8.013 0.000) 8.144 9.046 ( 2.940 17.637 0.000) 17.880 9.207 ( -10.859 13.465 0.000) 17.298 9.407 ( 5.185 9.510 0.000) 10.832 9.535 ( -6.772 8.002 0.000) 10.483 11.026 ( 2.600 7.025 0.000) 7.491 11.076 ( -2.005 13.496 0.000) 13.644 11.158 ( 1.394 13.628 0.000) 13.699 11.258 ( -7.617 8.590 0.000) 11.481 11.760 ( 12.564 6.433 0.000) 14.116 11.993 ( 10.172 -4.647 0.000) 11.184 12.058 ( -14.952 9.992 0.000) 17.983 12.189 ( -8.701 -10.210 0.000) 13.414 12.342 ( 11.276 14.246 0.000) 18.168 12.412 ( 5.761 5.169 0.000) 7.740 12.886 ( -1.417 7.091 0.000) 7.231 12.960 ( -8.556 5.443 0.000) 10.141 13.358 ( 0.794 0.079 0.000) 0.798 13.393 ( -3.451 6.359 0.000) 7.235 13.685 ( 1.917 -3.567 0.000) 4.049 13.703 ( 0.384 -1.268 0.000) 1.324 14.702 ( -1.144 18.418 0.000) 18.453 14.726 ( -2.889 13.749 0.000) 14.049 14.909 ( 0.081 0.758 0.000) 0.763 14.959 ( -4.067 2.774 0.000) 4.923 15.332 ( -0.702 2.168 0.000) 2.279 15.344 ( -1.714 2.346 0.000) 2.905 15.821 ( 18.019 3.608 0.000) 18.377 15.904 ( 8.597 -12.981 0.000) 15.570 16.033 ( -3.140 -11.140 0.000) 11.574 16.185 ( -15.886 2.172 0.000) 16.033 16.221 ( 11.847 -3.088 0.000) 12.243 16.511 ( -15.194 2.664 0.000) 15.426 17.051 ( 11.244 -9.170 0.000) 14.509 17.306 ( -12.807 -10.539 0.000) 16.586 17.368 ( 1.410 -8.882 0.000) 8.993 17.477 ( -8.313 -10.684 0.000) 13.537 19.128 ( 15.869 -6.046 0.000) 16.982 19.319 ( 13.152 -10.358 0.000) 16.741 19.332 ( 0.588 -5.968 0.000) 5.997 19.622 ( -17.872 -3.126 0.000) 18.143 19.760 ( 2.338 -6.432 0.000) 6.844 19.862 ( -6.466 2.572 0.000) 6.958 20.192 ( 0.951 -5.905 0.000) 5.981 20.255 ( -3.811 -2.629 0.000) 4.630 21.279 ( 10.110 5.140 0.000) 11.342 21.442 ( -5.753 5.512 0.000) 7.967 21.972 ( 9.343 -8.545 0.000) 12.661 22.147 ( -7.170 -8.869 0.000) 11.405 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 0.000 4.293 0.000) 4.293 2.864 ( 0.000 -9.288 0.000) 9.288 2.986 ( 0.000 11.126 0.000) 11.126 3.578 ( 0.000 -9.053 0.000) 9.053 3.614 ( 0.000 13.228 0.000) 13.228 4.081 ( 0.000 10.316 0.000) 10.316 4.093 ( 0.000 -2.288 0.000) 2.288 4.266 ( 0.000 8.015 0.000) 8.015 4.293 ( 0.000 0.597 0.000) 0.597 4.608 ( 0.000 8.405 0.000) 8.405 4.618 ( 0.000 0.026 0.000) 0.026 4.739 ( 0.000 3.801 0.000) 3.801 4.748 ( 0.000 13.242 0.000) 13.242 4.908 ( 0.000 -3.660 0.000) 3.660 5.064 ( 0.000 1.974 0.000) 1.974 5.112 ( 0.000 -0.000 0.000) 0.000 5.390 ( 0.000 -6.150 0.000) 6.150 5.457 ( 0.000 -4.035 0.000) 4.035 5.568 ( 0.000 -3.513 0.000) 3.513 5.748 ( 0.000 13.803 0.000) 13.803 6.094 ( 0.000 -5.640 0.000) 5.640 6.233 ( 0.000 10.417 0.000) 10.417 6.729 ( 0.000 -4.811 0.000) 4.811 6.804 ( 0.000 8.561 0.000) 8.561 7.020 ( 0.000 5.331 0.000) 5.331 7.381 ( 0.000 -6.501 0.000) 6.501 7.652 ( 0.000 11.835 0.000) 11.835 7.823 ( 0.000 10.318 0.000) 10.318 8.082 ( 0.000 -3.331 0.000) 3.331 8.170 ( 0.000 -0.981 0.000) 0.981 8.278 ( 0.000 24.863 0.000) 24.863 8.567 ( 0.000 5.665 0.000) 5.665 8.766 ( 0.000 15.087 0.000) 15.087 8.808 ( 0.000 0.989 0.000) 0.989 8.944 ( 0.000 11.367 0.000) 11.367 9.034 ( 0.000 17.054 0.000) 17.054 9.654 ( 0.000 19.716 0.000) 19.716 9.720 ( 0.000 20.498 0.000) 20.498 9.839 ( 0.000 12.391 0.000) 12.391 9.989 ( 0.000 15.440 0.000) 15.440 10.978 ( 0.000 0.934 0.000) 0.934 11.277 ( 0.000 0.504 0.000) 0.504 11.428 ( 0.000 -8.933 0.000) 8.933 11.593 ( 0.000 13.398 0.000) 13.398 11.787 ( 0.000 2.718 0.000) 2.718 11.807 ( 0.000 19.780 0.000) 19.780 11.917 ( 0.000 -15.530 0.000) 15.530 12.163 ( 0.000 14.814 0.000) 14.814 12.406 ( 0.000 17.596 0.000) 17.596 12.897 ( 0.000 15.898 0.000) 15.898 13.016 ( 0.000 0.027 0.000) 0.027 13.084 ( 0.000 -9.267 0.000) 9.267 13.230 ( 0.000 -5.721 0.000) 5.721 13.611 ( 0.000 -1.430 0.000) 1.430 13.702 ( 0.000 5.319 0.000) 5.319 13.765 ( 0.000 6.398 0.000) 6.398 14.925 ( 0.000 -4.723 0.000) 4.723 14.964 ( 0.000 5.277 0.000) 5.277 15.095 ( 0.000 0.495 0.000) 0.495 15.200 ( 0.000 -10.442 0.000) 10.442 15.354 ( 0.000 -8.667 0.000) 8.667 15.390 ( 0.000 -2.088 0.000) 2.088 15.408 ( 0.000 14.970 0.000) 14.970 15.443 ( 0.000 9.927 0.000) 9.927 15.812 ( 0.000 -0.711 0.000) 0.711 15.968 ( 0.000 -5.055 0.000) 5.055 16.543 ( 0.000 0.751 0.000) 0.751 16.715 ( 0.000 -3.197 0.000) 3.197 17.128 ( 0.000 5.682 0.000) 5.682 17.401 ( 0.000 -4.517 0.000) 4.517 17.491 ( 0.000 -8.561 0.000) 8.561 17.512 ( 0.000 -11.266 0.000) 11.266 18.530 ( 0.000 -6.752 0.000) 6.752 18.650 ( 0.000 -12.035 0.000) 12.035 18.999 ( 0.000 -2.446 0.000) 2.446 19.321 ( 0.000 -14.453 0.000) 14.453 20.111 ( 0.000 -5.543 0.000) 5.543 20.147 ( 0.000 6.841 0.000) 6.841 20.162 ( 0.000 -4.324 0.000) 4.324 20.347 ( 0.000 0.267 0.000) 0.267 21.053 ( 0.000 10.005 0.000) 10.005 21.558 ( 0.000 -7.091 0.000) 7.091 21.689 ( 0.000 6.978 0.000) 6.978 22.131 ( 0.000 -7.698 0.000) 7.698 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 2.186 6.279 0.000) 6.649 2.939 ( -4.529 10.930 0.000) 11.831 2.997 ( 10.841 -9.551 0.000) 14.448 3.542 ( -3.475 -9.365 0.000) 9.989 3.684 ( 6.391 12.512 0.000) 14.050 4.075 ( -0.972 8.807 0.000) 8.861 4.082 ( -1.160 -1.016 0.000) 1.542 4.211 ( -4.436 8.808 0.000) 9.862 4.259 ( 0.806 5.848 0.000) 5.903 4.579 ( -3.004 6.761 0.000) 7.399 4.649 ( -6.425 10.928 0.000) 12.677 4.757 ( -3.566 3.186 0.000) 4.782 4.796 ( 12.681 -2.229 0.000) 12.875 4.852 ( -1.529 1.512 0.000) 2.151 5.040 ( -5.089 0.787 0.000) 5.149 5.125 ( 5.632 2.362 0.000) 6.108 5.357 ( -11.261 1.293 0.000) 11.335 5.450 ( 0.238 -6.373 0.000) 6.377 5.533 ( 6.485 -5.625 0.000) 8.585 5.841 ( 5.439 8.333 0.000) 9.951 6.102 ( -0.121 -5.445 0.000) 5.446 6.225 ( -0.984 10.519 0.000) 10.565 6.803 ( 6.104 -5.419 0.000) 8.162 6.876 ( 5.195 4.570 0.000) 6.919 7.009 ( 0.167 7.244 0.000) 7.246 7.384 ( 0.720 -4.600 0.000) 4.656 7.470 ( -11.483 9.206 0.000) 14.718 7.761 ( -9.745 2.811 0.000) 10.142 8.103 ( 8.141 10.671 0.000) 13.422 8.329 ( 3.764 23.724 0.000) 24.020 8.382 ( 12.170 1.522 0.000) 12.265 8.655 ( 8.383 3.602 0.000) 9.124 8.791 ( 0.785 12.218 0.000) 12.243 8.848 ( 3.917 1.555 0.000) 4.214 8.980 ( 3.827 14.608 0.000) 15.101 9.017 ( -0.972 15.342 0.000) 15.373 9.630 ( -3.663 21.490 0.000) 21.800 9.698 ( -0.903 18.357 0.000) 18.379 9.749 ( -8.402 14.240 0.000) 16.534 9.901 ( -7.723 12.405 0.000) 14.613 10.986 ( 0.957 0.753 0.000) 1.218 11.231 ( -4.164 -1.020 0.000) 4.287 11.466 ( 3.023 -6.493 0.000) 7.162 11.611 ( 3.053 14.788 0.000) 15.100 11.745 ( -4.662 22.029 0.000) 22.517 11.842 ( 5.246 2.977 0.000) 6.032 11.925 ( -0.237 -17.541 0.000) 17.542 12.301 ( 11.848 10.939 0.000) 16.126 12.492 ( 4.562 16.287 0.000) 16.913 12.648 ( -13.128 11.398 0.000) 17.385 13.003 ( -1.166 0.621 0.000) 1.321 13.146 ( -5.412 -3.753 0.000) 6.585 13.270 ( 7.630 -0.897 0.000) 7.682 13.598 ( -0.502 -2.733 0.000) 2.779 13.677 ( -3.011 7.145 0.000) 7.754 13.738 ( -2.596 3.450 0.000) 4.318 14.886 ( -2.490 -4.051 0.000) 4.755 14.945 ( -0.966 5.415 0.000) 5.500 15.083 ( -2.411 1.193 0.000) 2.690 15.121 ( -6.824 3.194 0.000) 7.534 15.333 ( 2.358 3.741 0.000) 4.422 15.340 ( 0.969 -2.598 0.000) 2.773 15.497 ( 7.795 -6.519 0.000) 10.162 15.610 ( 5.118 4.285 0.000) 6.675 15.878 ( 4.964 -1.468 0.000) 5.176 15.991 ( 4.228 -3.513 0.000) 5.497 16.442 ( -10.497 -0.946 0.000) 10.540 16.726 ( -0.539 -8.846 0.000) 8.862 16.953 ( -11.947 6.909 0.000) 13.801 17.301 ( -7.389 -5.340 0.000) 9.116 17.351 ( -10.813 -9.114 0.000) 14.142 17.430 ( -7.524 -10.377 0.000) 12.818 18.681 ( 12.976 -6.364 0.000) 14.453 18.792 ( 12.159 -11.434 0.000) 16.690 19.119 ( 8.854 -2.534 0.000) 9.210 19.415 ( 6.045 -12.809 0.000) 14.164 19.981 ( -11.509 -0.605 0.000) 11.525 20.097 ( -2.800 -4.474 0.000) 5.278 20.107 ( -3.990 6.989 0.000) 8.048 20.316 ( -2.996 0.022 0.000) 2.996 21.180 ( 10.077 7.717 0.000) 12.693 21.636 ( 6.897 -7.277 0.000) 10.026 21.657 ( -3.082 6.671 0.000) 7.348 22.092 ( -3.733 -7.738 0.000) 8.592 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 6.833 9.239 0.000) 11.492 2.807 ( -7.712 10.527 0.000) 13.050 3.237 ( 11.163 -9.837 0.000) 14.879 3.431 ( -7.360 -9.845 0.000) 12.292 3.850 ( 8.706 9.676 0.000) 13.016 4.008 ( -5.912 6.652 0.000) 8.899 4.080 ( 1.510 5.609 0.000) 5.809 4.130 ( -2.933 9.517 0.000) 9.959 4.357 ( 8.037 5.314 0.000) 9.635 4.518 ( -2.013 7.450 0.000) 7.717 4.526 ( -4.646 14.245 0.000) 14.984 4.577 ( -10.595 -1.077 0.000) 10.650 4.891 ( 3.001 4.722 0.000) 5.595 4.951 ( -2.983 5.095 0.000) 5.904 4.993 ( 5.844 0.057 0.000) 5.844 5.128 ( -8.663 3.967 0.000) 9.528 5.293 ( 9.189 -1.735 0.000) 9.351 5.431 ( -3.609 -4.660 0.000) 5.894 5.707 ( 10.031 -10.471 0.000) 14.500 5.886 ( -4.169 -8.742 0.000) 9.685 6.102 ( 2.383 7.236 0.000) 7.619 6.180 ( -3.472 10.877 0.000) 11.417 6.915 ( 3.230 -4.913 0.000) 5.880 6.931 ( 0.738 -1.695 0.000) 1.849 7.096 ( 6.999 10.070 0.000) 12.263 7.255 ( -8.809 9.304 0.000) 12.812 7.429 ( 3.957 -2.112 0.000) 4.485 7.558 ( -8.547 -0.392 0.000) 8.556 8.264 ( 6.557 18.430 0.000) 19.562 8.360 ( -1.923 20.442 0.000) 20.532 8.631 ( 10.731 7.052 0.000) 12.841 8.770 ( -2.981 11.211 0.000) 11.600 8.847 ( 7.919 2.963 0.000) 8.455 8.968 ( -3.486 9.102 0.000) 9.746 8.990 ( 9.654 5.865 0.000) 11.296 9.089 ( 2.705 14.969 0.000) 15.212 9.514 ( -5.461 22.409 0.000) 23.065 9.539 ( -9.084 17.405 0.000) 19.633 9.687 ( -0.161 14.319 0.000) 14.320 9.737 ( -6.027 10.021 0.000) 11.693 11.029 ( 3.435 0.061 0.000) 3.436 11.125 ( -5.452 -1.302 0.000) 5.605 11.539 ( 4.190 7.571 0.000) 8.654 11.639 ( -5.287 18.091 0.000) 18.848 11.738 ( 8.143 1.893 0.000) 8.360 11.881 ( -4.542 -12.391 0.000) 13.197 11.999 ( 9.902 5.503 0.000) 11.328 12.261 ( -15.332 9.170 0.000) 17.866 12.577 ( 12.811 8.581 0.000) 15.419 12.697 ( 3.977 15.987 0.000) 16.474 12.970 ( -1.893 2.065 0.000) 2.802 12.995 ( -6.597 -1.239 0.000) 6.712 13.400 ( 5.758 3.013 0.000) 6.499 13.551 ( -8.291 7.367 0.000) 11.091 13.620 ( 2.601 -3.173 0.000) 4.103 13.681 ( -2.820 -0.870 0.000) 2.951 14.886 ( 3.148 -1.258 0.000) 3.390 14.945 ( 1.001 5.979 0.000) 6.063 14.994 ( -5.401 1.902 0.000) 5.726 15.004 ( -4.162 7.964 0.000) 8.986 15.365 ( 1.091 1.969 0.000) 2.251 15.380 ( 0.378 2.949 0.000) 2.973 15.689 ( 9.715 -7.621 0.000) 12.347 15.762 ( 12.289 -3.978 0.000) 12.917 15.858 ( -5.168 -7.024 0.000) 8.720 16.115 ( -18.977 -5.228 0.000) 19.684 16.217 ( 14.323 -1.092 0.000) 14.365 16.530 ( -15.290 -5.699 0.000) 16.318 16.916 ( 6.557 -1.335 0.000) 6.691 17.111 ( -11.351 -7.447 0.000) 13.576 17.207 ( -0.558 -6.714 0.000) 6.737 17.272 ( -6.283 -8.860 0.000) 10.861 18.991 ( 14.997 -6.349 0.000) 16.285 19.090 ( 15.646 -10.284 0.000) 18.723 19.206 ( -3.473 -5.425 0.000) 6.442 19.394 ( -10.775 -11.567 0.000) 15.808 19.844 ( 2.414 6.763 0.000) 7.181 19.983 ( -7.709 7.261 0.000) 10.590 20.108 ( 4.290 -2.820 0.000) 5.134 20.225 ( -5.660 -0.929 0.000) 5.736 21.394 ( 9.589 6.033 0.000) 11.329 21.560 ( -6.371 6.062 0.000) 8.795 21.808 ( 8.911 -7.613 0.000) 11.720 21.978 ( -7.119 -7.770 0.000) 10.538 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 3.575 0.000) 3.575 2.708 ( 0.000 -5.898 0.000) 5.898 3.197 ( 0.000 9.726 0.000) 9.726 3.390 ( 0.000 -9.308 0.000) 9.308 3.842 ( 0.000 9.354 0.000) 9.354 4.002 ( 0.000 -6.368 0.000) 6.368 4.284 ( 0.000 8.478 0.000) 8.478 4.344 ( 0.000 4.480 0.000) 4.480 4.368 ( 0.000 1.023 0.000) 1.023 4.470 ( 0.000 -7.572 0.000) 7.572 4.771 ( 0.000 0.521 0.000) 0.521 4.808 ( 0.000 -3.494 0.000) 3.494 4.867 ( 0.000 11.105 0.000) 11.105 5.035 ( 0.000 11.996 0.000) 11.996 5.035 ( 0.000 -4.918 0.000) 4.918 5.196 ( 0.000 6.667 0.000) 6.667 5.241 ( 0.000 -8.392 0.000) 8.392 5.341 ( 0.000 -6.900 0.000) 6.900 5.552 ( 0.000 3.271 0.000) 3.271 5.707 ( 0.000 -10.410 0.000) 10.410 6.333 ( 0.000 22.402 0.000) 22.402 6.425 ( 0.000 8.638 0.000) 8.638 6.592 ( 0.000 -7.773 0.000) 7.773 6.769 ( 0.000 -15.486 0.000) 15.486 7.115 ( 0.000 3.252 0.000) 3.252 7.174 ( 0.000 -5.362 0.000) 5.362 7.875 ( 0.000 9.833 0.000) 9.833 7.955 ( 0.000 3.618 0.000) 3.618 8.021 ( 0.000 -2.505 0.000) 2.505 8.063 ( 0.000 -7.505 0.000) 7.505 8.716 ( 0.000 16.568 0.000) 16.568 8.725 ( 0.000 7.195 0.000) 7.195 8.815 ( 0.000 -1.504 0.000) 1.504 8.907 ( 0.000 -1.467 0.000) 1.467 9.200 ( 0.000 9.496 0.000) 9.496 9.259 ( 0.000 4.195 0.000) 4.195 9.962 ( 0.000 9.271 0.000) 9.271 9.997 ( 0.000 6.177 0.000) 6.177 10.080 ( 0.000 10.180 0.000) 10.180 10.185 ( 0.000 1.947 0.000) 1.947 11.041 ( 0.000 5.607 0.000) 5.607 11.210 ( 0.000 -10.601 0.000) 10.601 11.301 ( 0.000 6.252 0.000) 6.252 11.560 ( 0.000 -17.200 0.000) 17.200 11.780 ( 0.000 5.038 0.000) 5.038 11.820 ( 0.000 0.380 0.000) 0.380 12.302 ( 0.000 25.706 0.000) 25.706 12.552 ( 0.000 20.410 0.000) 20.410 12.712 ( 0.000 3.648 0.000) 3.648 12.817 ( 0.000 -9.134 0.000) 9.134 12.901 ( 0.000 -12.038 0.000) 12.038 12.984 ( 0.000 -8.049 0.000) 8.049 13.300 ( 0.000 12.259 0.000) 12.259 13.517 ( 0.000 -7.896 0.000) 7.896 13.796 ( 0.000 3.798 0.000) 3.798 13.837 ( 0.000 0.455 0.000) 0.455 14.878 ( 0.000 1.558 0.000) 1.558 14.992 ( 0.000 -8.829 0.000) 8.829 15.062 ( 0.000 4.190 0.000) 4.190 15.113 ( 0.000 0.126 0.000) 0.126 15.252 ( 0.000 -0.688 0.000) 0.688 15.316 ( 0.000 -4.715 0.000) 4.715 15.593 ( 0.000 4.458 0.000) 4.458 15.605 ( 0.000 4.030 0.000) 4.030 15.838 ( 0.000 2.423 0.000) 2.423 15.890 ( 0.000 -2.777 0.000) 2.777 16.566 ( 0.000 1.845 0.000) 1.845 16.628 ( 0.000 -4.216 0.000) 4.216 17.232 ( 0.000 4.521 0.000) 4.521 17.316 ( 0.000 -3.944 0.000) 3.944 17.346 ( 0.000 -4.150 0.000) 4.150 17.352 ( 0.000 -4.321 0.000) 4.321 18.436 ( 0.000 -1.905 0.000) 1.905 18.469 ( 0.000 -5.319 0.000) 5.319 18.985 ( 0.000 1.493 0.000) 1.493 19.083 ( 0.000 -8.395 0.000) 8.395 20.062 ( 0.000 0.104 0.000) 0.104 20.092 ( 0.000 -2.552 0.000) 2.552 20.269 ( 0.000 4.751 0.000) 4.751 20.335 ( 0.000 -1.748 0.000) 1.748 21.243 ( 0.000 8.674 0.000) 8.674 21.409 ( 0.000 -7.634 0.000) 7.634 21.833 ( 0.000 7.109 0.000) 7.109 21.979 ( 0.000 -7.250 0.000) 7.250 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 5.755 6.187 0.000) 8.449 2.817 ( 9.162 -7.884 0.000) 12.087 3.148 ( -4.638 9.807 0.000) 10.848 3.346 ( -4.180 -9.683 0.000) 10.547 3.894 ( 4.695 8.301 0.000) 9.537 4.025 ( 2.421 -4.557 0.000) 5.160 4.246 ( -3.652 7.232 0.000) 8.102 4.322 ( -3.999 0.932 0.000) 4.106 4.377 ( 3.288 6.258 0.000) 7.069 4.527 ( 3.869 -8.075 0.000) 8.954 4.725 ( -4.690 0.662 0.000) 4.736 4.759 ( -3.838 -2.131 0.000) 4.390 4.885 ( 2.979 8.734 0.000) 9.228 5.028 ( -0.137 -4.266 0.000) 4.268 5.031 ( -0.197 12.339 0.000) 12.340 5.229 ( 3.075 7.783 0.000) 8.368 5.267 ( 1.245 -10.382 0.000) 10.456 5.395 ( 4.074 -7.777 0.000) 8.779 5.459 ( -6.995 8.604 0.000) 11.088 5.698 ( -2.102 -13.536 0.000) 13.698 6.346 ( 1.492 20.863 0.000) 20.916 6.433 ( 0.472 10.085 0.000) 10.096 6.638 ( 3.828 -9.737 0.000) 10.462 6.761 ( -0.630 -16.418 0.000) 16.430 7.148 ( 3.812 5.277 0.000) 6.509 7.234 ( 4.722 -4.881 0.000) 6.792 7.633 ( -12.087 6.726 0.000) 13.832 7.743 ( -12.490 -3.764 0.000) 13.045 8.268 ( 16.669 6.332 0.000) 17.831 8.367 ( 16.417 -3.035 0.000) 16.695 8.738 ( 1.087 15.307 0.000) 15.345 8.775 ( 5.207 6.340 0.000) 8.204 8.860 ( 4.584 -1.503 0.000) 4.825 8.912 ( -0.417 -1.082 0.000) 1.160 9.230 ( 2.261 7.616 0.000) 7.944 9.250 ( -0.090 5.746 0.000) 5.746 9.945 ( -2.350 8.684 0.000) 8.997 9.965 ( -2.802 6.637 0.000) 7.205 9.991 ( -7.936 8.945 0.000) 11.958 10.072 ( -9.918 2.321 0.000) 10.185 11.055 ( 1.454 6.394 0.000) 6.557 11.244 ( 3.202 -11.463 0.000) 11.902 11.260 ( -3.471 7.185 0.000) 7.979 11.536 ( -2.570 -18.042 0.000) 18.224 11.854 ( 6.603 6.351 0.000) 9.161 11.893 ( 6.796 1.270 0.000) 6.913 12.242 ( -4.643 23.096 0.000) 23.558 12.603 ( -10.735 -9.357 0.000) 14.240 12.604 ( 5.044 17.284 0.000) 18.005 12.860 ( 6.485 11.305 0.000) 13.033 12.911 ( 1.019 -10.556 0.000) 10.605 13.046 ( 0.287 -6.307 0.000) 6.314 13.323 ( 3.784 6.863 0.000) 7.837 13.492 ( -1.317 -7.720 0.000) 7.831 13.768 ( -2.869 2.780 0.000) 3.995 13.794 ( -4.479 0.896 0.000) 4.567 14.858 ( -0.734 2.482 0.000) 2.589 14.985 ( -0.211 -8.935 0.000) 8.937 15.030 ( -1.771 3.487 0.000) 3.911 15.087 ( -2.671 -1.505 0.000) 3.066 15.325 ( 6.255 2.151 0.000) 6.615 15.400 ( 6.779 -4.202 0.000) 7.976 15.542 ( -1.221 9.710 0.000) 9.786 15.650 ( 0.441 -0.889 0.000) 0.993 15.860 ( 0.139 1.107 0.000) 1.116 15.932 ( 5.432 -3.895 0.000) 6.684 16.442 ( -12.621 1.910 0.000) 12.764 16.542 ( -8.876 -7.797 0.000) 11.815 17.084 ( -9.392 5.905 0.000) 11.094 17.196 ( -8.345 -5.150 0.000) 9.806 17.225 ( -9.133 -2.235 0.000) 9.402 17.264 ( -7.392 -5.512 0.000) 9.221 18.591 ( 13.200 -1.873 0.000) 13.332 18.621 ( 12.968 -5.000 0.000) 13.899 19.104 ( 7.994 1.695 0.000) 8.172 19.201 ( 7.391 -7.829 0.000) 10.767 19.992 ( -5.352 1.551 0.000) 5.572 20.033 ( -3.108 -2.336 0.000) 3.888 20.232 ( -3.665 4.906 0.000) 6.124 20.301 ( -3.377 -1.873 0.000) 3.862 21.337 ( 7.954 7.558 0.000) 10.972 21.488 ( 6.966 -7.274 0.000) 10.071 21.796 ( -3.530 6.931 0.000) 7.778 21.940 ( -3.735 -7.209 0.000) 8.120 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 8.817 9.183 0.000) 12.731 3.014 ( -8.042 9.970 0.000) 12.810 3.030 ( 10.377 -10.083 0.000) 14.469 3.221 ( -7.793 -10.392 0.000) 12.990 4.012 ( 6.163 6.408 0.000) 8.891 4.108 ( 5.343 -2.511 0.000) 5.904 4.141 ( -6.066 6.015 0.000) 8.543 4.223 ( -5.324 -0.806 0.000) 5.384 4.471 ( 5.484 6.841 0.000) 8.767 4.592 ( 2.978 -2.885 0.000) 4.146 4.598 ( -6.646 3.722 0.000) 7.618 4.671 ( -4.430 -0.918 0.000) 4.524 4.977 ( 3.684 5.131 0.000) 6.317 5.022 ( -1.002 10.176 0.000) 10.225 5.081 ( 6.085 -1.422 0.000) 6.249 5.223 ( -6.052 -4.636 0.000) 7.624 5.298 ( 3.138 5.757 0.000) 6.557 5.352 ( -2.521 6.358 0.000) 6.839 5.487 ( 4.995 -10.755 0.000) 11.859 5.607 ( -6.059 -14.707 0.000) 15.906 6.391 ( 2.488 17.621 0.000) 17.796 6.430 ( -0.984 13.661 0.000) 13.697 6.716 ( 2.934 -13.245 0.000) 13.566 6.749 ( -0.652 -15.439 0.000) 15.453 7.261 ( 6.609 5.931 0.000) 8.880 7.350 ( 6.536 -3.620 0.000) 7.472 7.417 ( -8.751 6.315 0.000) 10.791 7.514 ( -9.478 -3.401 0.000) 10.070 8.562 ( 10.417 10.494 0.000) 14.786 8.686 ( 12.832 -1.639 0.000) 12.936 8.710 ( -4.245 12.917 0.000) 13.596 8.860 ( -4.864 -1.455 0.000) 5.077 8.950 ( 11.418 6.129 0.000) 12.959 9.040 ( 13.080 -1.488 0.000) 13.164 9.181 ( -7.451 8.711 0.000) 11.463 9.262 ( -4.079 1.819 0.000) 4.466 9.825 ( -5.022 8.848 0.000) 10.174 9.852 ( -5.274 9.657 0.000) 11.003 9.882 ( -4.640 2.934 0.000) 5.490 9.897 ( -3.606 4.882 0.000) 6.069 11.103 ( 3.123 7.825 0.000) 8.425 11.179 ( -4.006 8.197 0.000) 9.124 11.336 ( 5.436 -13.947 0.000) 14.969 11.452 ( -5.272 -17.049 0.000) 17.846 12.007 ( 7.212 10.856 0.000) 13.034 12.093 ( 11.926 1.736 0.000) 12.052 12.138 ( -5.455 17.468 0.000) 18.300 12.354 ( -12.735 -2.461 0.000) 12.970 12.753 ( 8.912 9.945 0.000) 13.354 12.927 ( -4.969 6.057 0.000) 7.834 12.944 ( 2.066 -6.072 0.000) 6.414 12.981 ( -1.905 0.252 0.000) 1.922 13.451 ( 7.966 2.726 0.000) 8.420 13.537 ( 6.098 -4.990 0.000) 7.880 13.644 ( -9.370 2.409 0.000) 9.675 13.676 ( -6.128 -0.273 0.000) 6.134 14.894 ( 4.281 2.901 0.000) 5.171 14.991 ( -3.290 1.599 0.000) 3.658 14.995 ( 1.033 -5.590 0.000) 5.685 15.024 ( -2.405 -0.778 0.000) 2.527 15.447 ( 4.642 5.708 0.000) 7.357 15.517 ( -2.203 8.149 0.000) 8.441 15.567 ( 8.376 -5.572 0.000) 10.059 15.668 ( 0.544 -6.925 0.000) 6.946 15.851 ( 2.433 8.359 0.000) 8.706 16.083 ( 8.425 -11.343 0.000) 14.129 16.091 ( -17.970 4.643 0.000) 18.560 16.296 ( -12.452 -13.525 0.000) 18.384 16.978 ( -0.554 5.120 0.000) 5.150 17.047 ( -6.767 1.123 0.000) 6.860 17.087 ( -1.615 -5.412 0.000) 5.648 17.123 ( -4.905 -5.736 0.000) 7.547 18.903 ( 15.165 -1.681 0.000) 15.258 18.934 ( 15.850 -4.731 0.000) 16.541 19.144 ( -6.053 -0.087 0.000) 6.054 19.209 ( -8.286 -6.309 0.000) 10.415 19.969 ( 4.714 5.225 0.000) 7.038 20.053 ( 5.415 -3.083 0.000) 6.231 20.116 ( -7.318 5.363 0.000) 9.073 20.195 ( -6.711 -2.414 0.000) 7.132 21.522 ( 9.029 6.519 0.000) 11.136 21.660 ( 8.794 -6.983 0.000) 11.229 21.689 ( -6.784 6.547 0.000) 9.427 21.827 ( -7.031 -7.076 0.000) 9.975 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.000 0.000 29.394) 29.394 0.766 ( 0.000 0.000 39.678) 39.678 1.564 ( 0.000 0.000 83.000) 83.000 1.864 ( 0.000 0.000 -15.579) 15.579 2.291 ( 0.000 0.000 -12.204) 12.204 2.450 ( 0.000 0.000 9.300) 9.300 2.895 ( 0.000 0.000 -5.436) 5.436 3.000 ( 0.000 0.000 0.679) 0.679 3.034 ( 0.000 0.000 0.834) 0.834 3.078 ( 0.000 0.000 7.427) 7.427 3.386 ( 0.000 0.000 13.613) 13.613 3.445 ( 0.000 0.000 0.683) 0.683 3.605 ( 0.000 0.000 -5.008) 5.008 3.796 ( 0.000 0.000 -19.379) 19.379 3.824 ( 0.000 0.000 -8.425) 8.425 3.835 ( 0.000 0.000 4.548) 4.548 3.910 ( 0.000 0.000 0.989) 0.989 4.204 ( 0.000 0.000 4.854) 4.854 4.208 ( 0.000 0.000 2.816) 2.816 4.651 ( 0.000 0.000 6.650) 6.650 4.729 ( 0.000 0.000 8.032) 8.032 4.925 ( 0.000 0.000 -0.056) 0.056 4.978 ( 0.000 0.000 -1.277) 1.277 5.487 ( 0.000 0.000 14.760) 14.760 5.623 ( 0.000 0.000 -18.564) 18.564 5.887 ( 0.000 0.000 -47.482) 47.482 6.029 ( 0.000 0.000 -11.901) 11.901 6.418 ( 0.000 0.000 -0.837) 0.837 6.458 ( 0.000 0.000 -18.745) 18.745 6.601 ( 0.000 0.000 -1.574) 1.574 7.644 ( 0.000 0.000 1.561) 1.561 7.674 ( 0.000 0.000 -1.865) 1.865 8.063 ( 0.000 0.000 28.632) 28.632 8.186 ( 0.000 0.000 9.180) 9.180 8.243 ( 0.000 0.000 3.891) 3.891 8.671 ( 0.000 0.000 1.285) 1.285 8.905 ( 0.000 0.000 0.138) 0.138 8.931 ( 0.000 0.000 -9.212) 9.212 9.249 ( 0.000 0.000 6.544) 6.544 9.604 ( 0.000 0.000 14.571) 14.571 10.068 ( 0.000 0.000 -16.099) 16.099 10.205 ( 0.000 0.000 5.063) 5.063 10.663 ( 0.000 0.000 -6.534) 6.534 10.685 ( 0.000 0.000 20.482) 20.482 10.696 ( 0.000 0.000 -10.107) 10.107 11.430 ( 0.000 0.000 21.264) 21.264 11.659 ( 0.000 0.000 1.574) 1.574 12.160 ( 0.000 0.000 5.951) 5.951 12.179 ( 0.000 0.000 7.646) 7.646 12.691 ( 0.000 0.000 7.687) 7.687 12.836 ( 0.000 0.000 2.656) 2.656 12.910 ( 0.000 0.000 -12.533) 12.533 13.046 ( 0.000 0.000 2.662) 2.662 13.098 ( 0.000 0.000 -11.409) 11.409 13.143 ( 0.000 0.000 -1.552) 1.552 13.474 ( 0.000 0.000 -9.606) 9.606 14.038 ( 0.000 0.000 -11.465) 11.465 14.510 ( 0.000 0.000 -9.884) 9.884 14.902 ( 0.000 0.000 -0.250) 0.250 15.171 ( 0.000 0.000 -8.461) 8.461 15.198 ( 0.000 0.000 5.349) 5.349 15.430 ( 0.000 0.000 0.039) 0.039 15.626 ( 0.000 0.000 5.979) 5.979 15.882 ( 0.000 0.000 -1.539) 1.539 16.139 ( 0.000 0.000 -0.845) 0.845 16.277 ( 0.000 0.000 -3.827) 3.827 16.620 ( 0.000 0.000 5.047) 5.047 16.662 ( 0.000 0.000 -4.660) 4.660 16.880 ( 0.000 0.000 -1.554) 1.554 17.456 ( 0.000 0.000 -12.123) 12.123 17.610 ( 0.000 0.000 19.196) 19.196 17.924 ( 0.000 0.000 0.290) 0.290 17.948 ( 0.000 0.000 -0.300) 0.300 18.257 ( 0.000 0.000 -7.581) 7.581 19.548 ( 0.000 0.000 8.312) 8.312 20.058 ( 0.000 0.000 -2.149) 2.149 20.257 ( 0.000 0.000 11.498) 11.498 20.708 ( 0.000 0.000 -7.227) 7.227 21.244 ( 0.000 0.000 1.046) 1.046 21.278 ( 0.000 0.000 3.417) 3.417 21.599 ( 0.000 0.000 0.760) 0.760 22.011 ( 0.000 0.000 -14.763) 14.763 22.579 ( 0.000 0.000 14.464) 14.464 23.172 ( 0.000 0.000 -5.158) 5.158 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 33.647 0.000 14.047) 36.462 1.103 ( 27.390 0.000 24.452) 36.716 1.966 ( 9.049 0.000 -13.068) 15.895 1.970 ( 31.927 0.000 59.965) 67.935 2.334 ( 10.784 0.000 -10.647) 15.154 2.434 ( -2.512 0.000 7.920) 8.309 2.768 ( -11.300 0.000 -2.640) 11.604 2.953 ( -1.371 0.000 0.409) 1.431 3.025 ( -3.107 0.000 -1.025) 3.272 3.075 ( -14.516 0.000 -2.371) 14.709 3.414 ( -1.107 0.000 10.666) 10.724 3.492 ( 4.069 0.000 0.195) 4.073 3.630 ( 1.629 0.000 -4.972) 5.232 3.716 ( -3.798 0.000 -14.322) 14.817 3.833 ( -0.023 0.000 4.702) 4.702 3.863 ( 1.474 0.000 -7.666) 7.807 3.901 ( -0.813 0.000 1.203) 1.452 4.204 ( -0.552 0.000 4.182) 4.219 4.309 ( 6.575 0.000 0.664) 6.609 4.559 ( -3.413 0.000 6.767) 7.579 4.778 ( 1.071 0.000 2.795) 2.993 4.919 ( -0.478 0.000 -0.166) 0.506 4.962 ( -1.428 0.000 -1.152) 1.835 5.167 ( -18.951 0.000 18.854) 26.732 5.608 ( -4.378 0.000 -16.238) 16.817 5.820 ( -4.254 0.000 -23.293) 23.678 6.030 ( 2.356 0.000 -41.677) 41.744 6.521 ( 6.740 0.000 6.749) 9.538 6.582 ( 8.220 0.000 -19.667) 21.315 6.781 ( 7.300 0.000 -2.755) 7.803 7.572 ( 1.278 0.000 -0.084) 1.281 7.797 ( -8.274 0.000 -16.832) 18.755 8.011 ( 1.261 0.000 12.560) 12.624 8.231 ( 3.151 0.000 16.194) 16.497 8.248 ( 5.867 0.000 8.228) 10.106 8.850 ( -7.481 0.000 -6.038) 9.613 8.857 ( 13.246 0.000 0.195) 13.247 9.057 ( 13.212 0.000 1.401) 13.286 9.411 ( 13.246 0.000 -2.057) 13.405 9.589 ( -1.593 0.000 9.420) 9.554 9.920 ( -11.464 0.000 -9.478) 14.875 10.247 ( 3.903 0.000 2.529) 4.650 10.558 ( -7.603 0.000 -5.721) 9.515 10.617 ( -4.301 0.000 -6.229) 7.569 10.864 ( 8.298 0.000 12.196) 14.751 11.453 ( 0.799 0.000 29.021) 29.032 11.589 ( -4.259 0.000 -0.318) 4.270 12.183 ( 2.979 0.000 7.032) 7.637 12.218 ( 3.625 0.000 7.012) 7.893 12.582 ( -27.560 0.000 18.381) 33.127 12.613 ( -6.223 0.000 4.496) 7.677 12.801 ( -5.044 0.000 -2.727) 5.734 12.962 ( 3.813 0.000 -8.178) 9.023 13.132 ( -1.072 0.000 -1.832) 2.123 13.139 ( -0.739 0.000 -2.763) 2.860 13.225 ( -14.843 0.000 6.613) 16.249 13.907 ( 5.316 0.000 6.995) 8.785 14.543 ( -4.664 0.000 -4.779) 6.678 14.911 ( 0.894 0.000 -0.830) 1.220 15.082 ( -4.551 0.000 -3.205) 5.566 15.283 ( 4.323 0.000 0.875) 4.410 15.432 ( -0.105 0.000 1.150) 1.155 15.650 ( 2.420 0.000 4.231) 4.874 15.861 ( -1.967 0.000 -1.306) 2.361 16.187 ( 6.906 0.000 0.479) 6.922 16.445 ( 9.267 0.000 -17.904) 20.160 16.573 ( 4.285 0.000 -9.145) 10.099 16.841 ( -2.983 0.000 -2.810) 4.098 17.107 ( 16.127 0.000 -17.451) 23.762 17.442 ( -2.993 0.000 -12.797) 13.143 17.567 ( 0.700 0.000 22.032) 22.043 17.925 ( 0.137 0.000 0.233) 0.270 17.945 ( -0.290 0.000 -0.245) 0.380 18.221 ( -4.857 0.000 -4.280) 6.474 19.440 ( -4.245 0.000 16.528) 17.064 19.830 ( -9.055 0.000 11.514) 14.648 20.439 ( 9.916 0.000 -4.743) 10.992 20.828 ( 5.883 0.000 -12.893) 14.171 21.171 ( -4.978 0.000 -1.379) 5.166 21.283 ( -2.012 0.000 1.458) 2.485 21.576 ( -1.972 0.000 7.425) 7.682 21.709 ( -17.559 0.000 4.349) 18.090 22.627 ( 7.064 0.000 9.475) 11.819 23.124 ( -4.542 0.000 -4.949) 6.718 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 29.196 0.000 5.770) 29.761 1.736 ( 31.687 0.000 11.502) 33.710 2.132 ( -2.984 0.000 -4.151) 5.113 2.304 ( -15.105 0.000 6.794) 16.562 2.325 ( -0.915 0.000 1.670) 1.904 2.515 ( -11.885 0.000 -2.080) 12.066 2.678 ( 14.342 0.000 -2.950) 14.642 2.840 ( 4.269 0.000 22.337) 22.741 2.934 ( -0.356 0.000 0.060) 0.361 2.953 ( -2.486 0.000 -0.137) 2.490 3.399 ( 5.667 0.000 2.261) 6.101 3.581 ( 3.954 0.000 -1.347) 4.177 3.638 ( -1.235 0.000 -3.632) 3.836 3.646 ( -4.764 0.000 3.804) 6.096 3.845 ( 1.269 0.000 3.745) 3.954 3.877 ( -1.538 0.000 2.030) 2.547 3.947 ( 6.844 0.000 1.548) 7.017 4.108 ( -8.126 0.000 6.450) 10.375 4.228 ( -4.746 0.000 11.068) 12.043 4.422 ( -17.540 0.000 5.529) 18.391 4.844 ( 5.381 0.000 -2.149) 5.794 4.913 ( 0.161 0.000 -0.460) 0.487 4.921 ( -2.327 0.000 5.397) 5.877 4.930 ( -1.374 0.000 -0.836) 1.608 5.539 ( 0.551 0.000 -18.467) 18.475 5.661 ( -9.443 0.000 -19.011) 21.226 6.283 ( 20.066 0.000 -42.267) 46.788 6.629 ( 0.611 0.000 -0.327) 0.693 6.682 ( -1.034 0.000 -28.996) 29.014 6.748 ( -8.336 0.000 3.240) 8.944 7.607 ( 2.915 0.000 2.888) 4.104 7.662 ( -1.672 0.000 -6.929) 7.128 8.089 ( 4.529 0.000 15.140) 15.803 8.203 ( -5.385 0.000 17.930) 18.722 8.419 ( 10.219 0.000 5.249) 11.488 8.648 ( -11.206 0.000 0.133) 11.207 9.136 ( 13.047 0.000 -3.266) 13.449 9.315 ( 3.360 0.000 -5.638) 6.563 9.514 ( 0.600 0.000 0.942) 1.117 9.643 ( -3.848 0.000 3.064) 4.919 9.845 ( 16.161 0.000 -10.562) 19.307 10.271 ( -19.613 0.000 -11.846) 22.913 10.357 ( 6.468 0.000 -1.946) 6.754 10.498 ( -6.724 0.000 -4.951) 8.350 11.051 ( 10.086 0.000 20.208) 22.585 11.288 ( -12.318 0.000 21.207) 24.524 11.716 ( 13.278 0.000 16.024) 20.811 12.051 ( -18.250 0.000 19.729) 26.875 12.323 ( 6.320 0.000 5.418) 8.325 12.381 ( 10.256 0.000 5.411) 11.596 12.468 ( -7.373 0.000 3.914) 8.347 12.642 ( -12.022 0.000 -3.655) 12.565 13.037 ( -2.000 0.000 7.277) 7.547 13.039 ( 3.390 0.000 -4.661) 5.763 13.079 ( -3.988 0.000 1.795) 4.374 13.097 ( -2.253 0.000 -2.774) 3.573 14.116 ( 12.276 0.000 0.243) 12.279 14.365 ( -11.135 0.000 -2.630) 11.441 14.941 ( 2.099 0.000 -1.967) 2.877 14.999 ( -3.439 0.000 -2.798) 4.434 15.362 ( 3.221 0.000 2.107) 3.850 15.414 ( -1.713 0.000 2.502) 3.032 15.721 ( 4.041 0.000 1.254) 4.231 15.803 ( -3.583 0.000 -0.506) 3.619 16.410 ( 12.611 0.000 -1.379) 12.686 16.576 ( 1.581 0.000 -14.534) 14.620 16.641 ( 1.470 0.000 -5.673) 5.861 16.748 ( -5.915 0.000 -5.039) 7.771 17.258 ( 2.960 0.000 -14.040) 14.348 17.336 ( -4.905 0.000 -11.956) 12.924 17.748 ( 13.669 0.000 10.997) 17.543 17.930 ( 0.300 0.000 0.084) 0.311 17.937 ( -0.395 0.000 -0.098) 0.407 18.035 ( -12.543 0.000 3.656) 13.065 19.481 ( 6.912 0.000 11.580) 13.486 19.656 ( -8.757 0.000 9.313) 12.784 20.671 ( 12.196 0.000 -9.608) 15.526 20.870 ( -3.622 0.000 -13.546) 14.022 21.078 ( -2.170 0.000 -4.070) 4.613 21.148 ( -8.155 0.000 -3.327) 8.807 21.516 ( -1.058 0.000 13.375) 13.417 21.540 ( -2.358 0.000 15.235) 15.417 22.811 ( 9.487 0.000 0.377) 9.495 22.993 ( -7.805 0.000 -3.633) 8.609 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 29.745 23.256) 37.757 1.192 ( 0.000 30.519 28.958) 42.071 2.020 ( 0.000 47.114 51.974) 70.150 2.207 ( 0.000 28.422 -10.423) 30.274 2.272 ( 0.000 1.404 -6.141) 6.299 2.709 ( 0.000 22.246 5.979) 23.036 3.130 ( 0.000 16.546 -6.639) 17.828 3.161 ( 0.000 12.414 4.011) 13.046 3.220 ( 0.000 14.448 4.573) 15.154 3.372 ( 0.000 11.635 6.442) 13.299 3.481 ( 0.000 22.462 3.251) 22.696 3.618 ( 0.000 16.216 0.473) 16.222 3.788 ( 0.000 9.124 -13.719) 16.476 3.836 ( 0.000 1.520 -7.432) 7.586 3.841 ( 0.000 11.109 -11.153) 15.742 4.068 ( 0.000 20.200 5.480) 20.930 4.190 ( 0.000 18.206 3.343) 18.510 4.205 ( 0.000 2.168 2.691) 3.456 4.225 ( 0.000 9.125 2.261) 9.401 4.662 ( 0.000 1.829 10.500) 10.658 4.731 ( 0.000 1.378 7.455) 7.581 4.998 ( 0.000 6.609 3.105) 7.302 5.186 ( 0.000 19.250 -1.444) 19.304 5.567 ( 0.000 15.932 12.460) 20.226 5.705 ( 0.000 7.837 -17.656) 19.317 5.869 ( 0.000 -1.167 -45.529) 45.544 6.019 ( 0.000 -0.493 -12.238) 12.248 6.431 ( 0.000 1.509 -0.305) 1.539 6.485 ( 0.000 3.051 -19.501) 19.738 6.663 ( 0.000 6.910 -2.545) 7.364 7.506 ( 0.000 -10.493 3.579) 11.087 7.645 ( 0.000 0.111 1.112) 1.118 8.004 ( 0.000 -5.015 28.435) 28.874 8.233 ( 0.000 -0.222 3.659) 3.666 8.637 ( 0.000 -3.090 1.456) 3.416 8.910 ( 0.000 3.475 -3.186) 4.715 9.190 ( 0.000 41.461 -28.532) 50.330 9.244 ( 0.000 6.325 3.902) 7.431 9.257 ( 0.000 19.094 -5.082) 19.759 9.549 ( 0.000 -1.839 12.846) 12.977 10.037 ( 0.000 -2.449 -12.920) 13.150 10.269 ( 0.000 1.629 2.534) 3.012 10.652 ( 0.000 3.179 16.819) 17.117 10.771 ( 0.000 6.036 -13.339) 14.641 10.922 ( 0.000 15.815 -3.981) 16.308 11.473 ( 0.000 5.537 21.102) 21.817 11.588 ( 0.000 -3.917 2.970) 4.916 11.967 ( 0.000 -13.430 4.078) 14.036 12.256 ( 0.000 8.988 4.716) 10.151 12.519 ( 0.000 -10.845 8.627) 13.858 12.568 ( 0.000 -16.126 -6.131) 17.252 13.000 ( 0.000 6.607 -0.074) 6.607 13.096 ( 0.000 -2.393 -6.640) 7.058 13.187 ( 0.000 3.353 -4.759) 5.822 13.207 ( 0.000 13.169 7.945) 15.380 13.722 ( 0.000 17.932 -7.462) 19.422 14.070 ( 0.000 3.573 -10.003) 10.622 14.333 ( 0.000 -10.789 -5.761) 12.231 14.524 ( 0.000 -19.380 19.709) 27.641 15.021 ( 0.000 -38.047 -0.513) 38.050 15.033 ( 0.000 -0.428 -1.928) 1.975 15.205 ( 0.000 2.694 -7.688) 8.147 15.493 ( 0.000 -0.249 6.622) 6.627 15.545 ( 0.000 9.233 11.579) 14.810 16.155 ( 0.000 1.441 -1.581) 2.139 16.407 ( 0.000 -3.046 -22.689) 22.893 16.720 ( 0.000 2.035 3.930) 4.426 16.828 ( 0.000 -4.929 -1.556) 5.169 17.396 ( 0.000 -8.121 18.627) 20.321 17.807 ( 0.000 28.776 -8.014) 29.871 17.875 ( 0.000 -5.822 -1.958) 6.142 17.984 ( 0.000 8.643 -2.735) 9.065 18.227 ( 0.000 52.089 -40.989) 66.282 18.253 ( 0.000 -0.930 -4.939) 5.026 19.576 ( 0.000 1.809 8.742) 8.927 20.081 ( 0.000 1.955 -4.918) 5.292 20.256 ( 0.000 0.083 8.463) 8.463 20.615 ( 0.000 -8.787 -5.022) 10.121 21.150 ( 0.000 -8.799 2.236) 9.079 21.206 ( 0.000 -7.038 4.140) 8.165 21.509 ( 0.000 -8.488 -0.305) 8.493 21.608 ( 0.000 -24.036 7.984) 25.327 22.437 ( 0.000 -6.944 18.739) 19.984 23.103 ( 0.000 -6.527 -5.098) 8.282 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 11.256 21.390 17.008) 29.555 1.474 ( 21.436 18.871 29.518) 41.072 2.109 ( -1.727 5.410 -11.219) 12.574 2.408 ( 19.394 28.697 22.105) 41.089 2.441 ( 15.619 26.696 11.220) 32.902 2.694 ( -0.311 19.286 0.971) 19.312 2.952 ( -6.428 19.500 -0.317) 20.534 3.104 ( -6.520 16.279 5.440) 18.361 3.256 ( -0.133 20.847 -1.559) 20.906 3.355 ( -4.635 21.256 -2.022) 21.849 3.405 ( -7.900 4.797 9.612) 13.335 3.592 ( -0.702 6.633 -3.031) 7.326 3.765 ( -0.748 6.042 -6.574) 8.960 3.826 ( 0.350 14.381 -4.559) 15.091 3.919 ( 2.148 9.682 -8.205) 12.872 4.033 ( -0.013 14.681 3.614) 15.120 4.129 ( -3.323 11.076 1.145) 11.620 4.271 ( 2.025 14.327 5.225) 15.384 4.359 ( 6.196 8.727 4.763) 11.715 4.557 ( -1.973 2.132 7.284) 7.842 4.779 ( 1.904 2.060 3.337) 4.360 4.994 ( -0.616 7.111 5.087) 8.765 5.164 ( -2.189 18.142 -1.511) 18.336 5.384 ( -15.257 20.856 10.515) 27.898 5.647 ( -5.425 4.820 -15.949) 17.522 5.798 ( -5.138 -0.861 -20.081) 20.746 6.041 ( 4.018 1.588 -40.620) 40.849 6.526 ( 6.443 0.849 5.869) 8.757 6.601 ( 8.371 2.478 -21.024) 22.765 6.755 ( 5.227 1.987 -1.202) 5.720 7.484 ( 1.777 -7.876 2.427) 8.431 7.702 ( -0.923 -3.313 -6.932) 7.738 7.968 ( -1.609 -3.025 16.770) 17.117 8.141 ( -3.442 -2.465 15.624) 16.187 8.829 ( 13.600 -0.376 0.130) 13.606 8.999 ( -8.080 27.152 -0.575) 28.335 9.056 ( 12.366 1.268 -2.344) 12.650 9.188 ( -5.433 25.554 -5.110) 26.620 9.466 ( 11.932 8.785 -8.649) 17.156 9.545 ( -0.189 0.925 5.861) 5.937 9.924 ( -10.390 1.270 -10.043) 14.506 10.256 ( -0.416 -2.499 1.039) 2.738 10.562 ( -6.344 4.171 4.551) 8.852 10.761 ( -4.845 5.524 -8.240) 11.040 10.969 ( 5.666 11.470 3.685) 13.313 11.488 ( -2.402 5.966 24.957) 25.772 11.551 ( 1.166 -2.686 1.502) 3.291 11.991 ( 1.230 -13.303 7.426) 15.285 12.218 ( -1.955 3.892 5.921) 7.351 12.417 ( -6.007 -8.422 2.382) 10.615 12.613 ( -1.384 -8.422 7.750) 11.528 12.851 ( -12.712 4.270 -2.258) 13.599 12.950 ( -4.365 8.302 -2.290) 9.655 13.146 ( -4.509 2.341 -3.589) 6.221 13.253 ( 2.394 8.005 0.015) 8.356 13.592 ( -11.757 22.521 -1.236) 25.435 13.954 ( 5.250 4.849 3.368) 7.900 14.397 ( -1.373 -11.115 -1.964) 11.370 14.758 ( 10.971 -18.903 -1.987) 21.946 14.951 ( -2.751 -14.183 -3.784) 14.935 15.127 ( 5.078 -21.646 0.164) 22.234 15.260 ( 5.021 -1.206 -5.734) 7.716 15.465 ( -3.318 -2.890 6.841) 8.134 15.502 ( -2.715 4.419 6.171) 8.061 16.190 ( 6.697 0.314 -0.221) 6.708 16.561 ( 8.582 -1.785 -18.301) 20.292 16.709 ( -0.168 2.416 0.631) 2.503 16.835 ( -0.306 -3.720 -1.977) 4.224 17.425 ( 3.110 -6.372 15.474) 17.021 17.755 ( -6.134 18.999 -8.216) 21.589 17.827 ( -1.719 11.396 -7.047) 13.509 18.010 ( 1.956 11.004 0.399) 11.184 18.043 ( -7.137 16.573 -14.374) 23.070 18.337 ( -1.029 23.117 -11.666) 25.914 19.473 ( -5.393 2.801 15.679) 16.815 19.821 ( -10.216 -0.783 11.180) 15.165 20.424 ( 8.850 -1.666 -5.073) 10.336 20.748 ( 6.607 -7.570 -12.684) 16.182 21.077 ( -4.516 -8.582 -1.217) 9.774 21.221 ( -2.857 -5.948 1.025) 6.678 21.473 ( -4.290 -13.290 3.179) 14.323 21.526 ( -3.235 -9.262 12.050) 15.539 22.545 ( 8.923 -6.439 10.041) 14.896 23.057 ( -4.384 -6.353 -4.816) 9.099 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 23.756 0.480 6.262) 24.572 1.911 ( 6.671 -0.822 11.815) 13.594 2.099 ( 6.434 6.473 5.817) 10.823 2.436 ( -8.444 7.933 3.349) 12.060 2.619 ( -1.858 23.480 6.590) 24.458 2.748 ( -1.793 21.877 1.249) 21.986 2.894 ( 1.034 19.978 -11.210) 22.932 3.035 ( -4.215 17.533 -0.727) 18.047 3.224 ( -1.061 21.286 0.079) 21.313 3.246 ( -2.498 20.013 2.189) 20.287 3.460 ( 14.868 15.849 11.815) 24.736 3.628 ( 1.016 5.831 7.221) 9.336 3.788 ( 4.021 12.546 -2.029) 13.330 3.830 ( -0.351 16.870 -1.928) 16.983 3.970 ( 3.993 7.851 3.032) 9.315 4.036 ( -4.693 10.446 2.555) 11.734 4.050 ( 4.739 7.233 2.146) 8.910 4.259 ( -3.669 15.470 6.660) 17.238 4.326 ( -1.667 14.712 12.139) 19.146 4.512 ( -14.961 16.438 2.264) 22.342 4.855 ( 5.158 2.210 -1.988) 5.953 4.937 ( -3.469 3.353 7.109) 8.592 5.108 ( -2.454 16.344 -0.837) 16.549 5.122 ( -4.175 17.062 0.897) 17.588 5.561 ( -0.542 2.830 -15.923) 16.182 5.652 ( -7.801 0.155 -15.224) 17.107 6.291 ( 18.734 1.732 -39.395) 43.657 6.624 ( -2.357 -0.125 -4.570) 5.144 6.697 ( -1.294 2.262 -29.026) 29.143 6.742 ( -3.162 1.837 6.306) 7.290 7.565 ( 4.564 -4.524 1.454) 6.589 7.625 ( -2.270 -3.077 -6.097) 7.197 8.017 ( 3.967 -4.144 15.865) 16.870 8.093 ( -2.752 -4.011 19.789) 20.378 8.899 ( -0.300 24.629 8.115) 25.933 8.967 ( -4.233 14.704 4.268) 15.885 9.188 ( 9.248 11.328 -5.468) 15.612 9.300 ( 5.221 -0.573 -6.518) 8.371 9.531 ( 1.044 5.381 1.841) 5.782 9.648 ( -5.246 5.749 -0.005) 7.783 9.819 ( 13.271 -1.450 -12.434) 18.243 10.158 ( -12.931 -6.015 -9.629) 17.208 10.472 ( 1.540 4.316 0.740) 4.642 10.600 ( -8.692 4.716 -3.479) 10.483 11.127 ( 8.844 8.200 11.672) 16.784 11.325 ( -9.912 5.402 13.348) 17.481 11.715 ( 11.416 0.005 16.302) 19.902 11.940 ( -7.820 -8.931 14.707) 18.900 12.231 ( 2.234 -3.764 1.741) 4.711 12.283 ( -4.532 -0.216 1.755) 4.865 12.558 ( 0.698 2.598 8.293) 8.718 12.674 ( -8.191 -1.950 4.587) 9.588 12.917 ( 2.821 3.115 -6.521) 7.758 13.025 ( -6.349 1.349 -4.558) 7.931 13.312 ( 3.508 13.549 -0.851) 14.022 13.408 ( -6.151 18.620 0.961) 19.633 14.128 ( 9.471 1.128 0.085) 9.538 14.306 ( -7.077 -5.413 -1.941) 9.119 14.877 ( 2.589 -10.333 -3.639) 11.257 14.914 ( -1.312 -10.320 -4.712) 11.420 15.241 ( 5.892 -19.893 1.174) 20.780 15.350 ( -1.635 -17.385 0.170) 17.463 15.384 ( 0.735 0.987 2.486) 2.774 15.451 ( -2.899 -1.726 1.936) 3.890 16.409 ( 12.320 -0.329 -0.423) 12.331 16.610 ( -4.918 -2.062 -8.163) 9.750 16.735 ( 2.621 0.933 -1.790) 3.308 16.797 ( -2.989 -1.496 -1.921) 3.855 17.521 ( 5.191 5.368 -1.951) 7.718 17.623 ( -5.344 17.266 -12.077) 21.737 17.840 ( 3.199 4.217 0.548) 5.321 17.932 ( -4.649 -0.586 -1.473) 4.912 18.078 ( 5.051 21.553 0.251) 22.138 18.224 ( -8.078 25.152 -0.201) 26.418 19.485 ( 5.749 0.318 11.592) 12.943 19.643 ( -8.302 -1.249 9.366) 12.578 20.634 ( 11.075 -3.818 -9.395) 15.017 20.807 ( -2.382 -6.182 -13.882) 15.382 20.995 ( -1.999 -7.495 -3.882) 8.675 21.062 ( -8.261 -7.996 -3.070) 11.900 21.443 ( 1.239 -6.384 12.509) 14.098 21.482 ( -2.040 -5.271 13.765) 14.881 22.747 ( 9.718 -5.967 0.809) 11.432 22.929 ( -7.694 -6.045 -3.360) 10.346 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 23.386 32.467) 40.012 1.749 ( 0.000 26.475 9.166) 28.017 2.336 ( 0.000 6.894 1.214) 7.000 2.791 ( 0.000 26.183 2.631) 26.315 3.154 ( 0.000 41.103 17.980) 44.864 3.231 ( 0.000 26.556 -4.311) 26.904 3.451 ( 0.000 29.915 -0.661) 29.923 3.451 ( 0.000 7.746 2.396) 8.108 3.597 ( 0.000 26.311 0.893) 26.326 3.678 ( 0.000 12.111 -5.777) 13.418 3.906 ( 0.000 7.254 -2.866) 7.800 3.914 ( 0.000 13.042 -5.103) 14.005 3.962 ( 0.000 15.247 -6.425) 16.546 3.981 ( 0.000 15.596 -0.173) 15.597 4.217 ( 0.000 19.324 -8.145) 20.970 4.344 ( 0.000 9.269 10.228) 13.803 4.398 ( 0.000 18.277 5.259) 19.018 4.551 ( 0.000 26.938 6.282) 27.661 4.689 ( 0.000 18.090 -4.579) 18.661 4.710 ( 0.000 3.255 18.926) 19.204 4.938 ( 0.000 22.309 6.741) 23.305 5.323 ( 0.000 25.995 1.116) 26.019 5.690 ( 0.000 23.503 -7.336) 24.622 5.879 ( 0.000 9.748 -33.657) 35.041 5.935 ( 0.000 12.555 -14.677) 19.314 5.992 ( 0.000 12.470 -4.538) 13.270 6.090 ( 0.000 17.832 -2.221) 17.970 6.486 ( 0.000 4.379 2.219) 4.910 6.617 ( 0.000 10.880 -19.096) 21.978 6.926 ( 0.000 19.609 -6.484) 20.653 7.284 ( 0.000 -8.907 9.250) 12.842 7.643 ( 0.000 -0.984 -0.693) 1.204 7.889 ( 0.000 -4.923 27.724) 28.157 8.230 ( 0.000 -0.067 2.409) 2.410 8.558 ( 0.000 -4.146 3.373) 5.344 8.995 ( 0.000 5.546 -5.683) 7.940 9.233 ( 0.000 -1.213 9.822) 9.896 9.346 ( 0.000 -6.580 5.048) 8.293 9.637 ( 0.000 3.975 -11.365) 12.040 9.994 ( 0.000 0.118 -8.338) 8.339 10.015 ( 0.000 33.424 -7.119) 34.173 10.203 ( 0.000 -5.269 0.389) 5.283 10.783 ( 0.000 9.527 15.165) 17.910 10.847 ( 0.000 1.975 -7.862) 8.106 11.144 ( 0.000 3.521 -2.177) 4.140 11.450 ( 0.000 -4.995 3.806) 6.280 11.821 ( 0.000 21.455 17.363) 27.601 11.879 ( 0.000 6.553 -0.558) 6.576 12.266 ( 0.000 -12.819 8.969) 15.646 12.455 ( 0.000 3.793 -13.637) 14.154 12.526 ( 0.000 15.045 5.820) 16.131 13.046 ( 0.000 -2.018 -6.148) 6.471 13.065 ( 0.000 0.468 -7.758) 7.773 13.255 ( 0.000 3.228 -10.922) 11.389 13.432 ( 0.000 7.448 10.747) 13.075 14.033 ( 0.000 2.169 -4.311) 4.826 14.158 ( 0.000 -1.652 -4.815) 5.090 14.191 ( 0.000 3.363 -0.389) 3.386 14.378 ( 0.000 -12.654 4.881) 13.563 14.417 ( 0.000 6.712 -1.369) 6.850 15.009 ( 0.000 -1.007 7.071) 7.142 15.262 ( 0.000 2.173 -5.654) 6.058 15.508 ( 0.000 1.324 6.700) 6.829 15.826 ( 0.000 15.271 2.506) 15.475 16.209 ( 0.000 4.030 -3.286) 5.200 16.314 ( 0.000 -5.453 -19.146) 19.907 16.674 ( 0.000 -5.355 2.014) 5.721 16.677 ( 0.000 -9.899 -1.083) 9.958 17.193 ( 0.000 -9.431 18.852) 21.080 17.757 ( 0.000 -5.262 -3.908) 6.555 18.053 ( 0.000 0.198 1.773) 1.784 18.198 ( 0.000 -3.017 -3.762) 4.822 18.395 ( 0.000 24.177 -1.063) 24.200 18.917 ( 0.000 19.169 -21.513) 28.814 19.574 ( 0.000 -2.891 9.520) 9.949 20.116 ( 0.000 0.864 -7.636) 7.685 20.272 ( 0.000 1.619 0.639) 1.740 20.376 ( 0.000 -13.895 -3.569) 14.346 20.921 ( 0.000 -12.223 5.571) 13.433 21.009 ( 0.000 -11.509 4.104) 12.219 21.273 ( 0.000 -14.138 -1.644) 14.233 21.297 ( 0.000 -7.753 2.024) 8.013 22.296 ( 0.000 -7.340 14.989) 16.690 22.922 ( 0.000 -10.671 -4.821) 11.709 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -2.854 24.745 7.698) 26.071 1.837 ( 9.821 16.900 24.580) 31.405 2.239 ( -4.936 11.154 2.365) 12.424 2.687 ( -6.292 13.589 9.669) 17.825 3.230 ( 5.186 29.913 -7.821) 31.350 3.293 ( -8.611 28.279 2.427) 29.660 3.410 ( -1.683 12.417 1.894) 12.672 3.485 ( 2.440 9.856 4.939) 11.291 3.566 ( 1.600 30.449 -3.028) 30.641 3.714 ( 0.544 11.404 -3.524) 11.948 3.792 ( 2.897 22.505 1.380) 22.733 3.885 ( -6.019 20.189 1.280) 21.106 3.978 ( 5.234 25.251 2.214) 25.883 4.119 ( -2.590 13.202 -0.720) 13.473 4.190 ( 5.038 7.407 -1.874) 9.152 4.279 ( -2.917 15.948 2.399) 16.389 4.385 ( 1.330 20.955 -0.825) 21.013 4.537 ( -4.601 13.992 9.743) 17.660 4.730 ( 1.975 10.215 4.871) 11.488 4.808 ( 11.746 21.747 4.597) 25.140 5.014 ( 6.059 26.053 7.335) 27.736 5.293 ( -3.051 23.306 1.230) 23.537 5.615 ( -6.771 21.824 -5.816) 23.579 5.770 ( -7.242 4.701 -16.787) 18.877 5.812 ( -6.931 16.421 -4.619) 18.412 6.009 ( -9.626 29.831 -0.692) 31.353 6.137 ( 7.876 9.190 -33.442) 35.565 6.578 ( 6.966 5.217 4.762) 9.921 6.714 ( 7.347 9.477 -18.850) 22.341 6.915 ( 0.171 13.449 -3.417) 13.877 7.299 ( 2.892 -7.926 5.626) 10.141 7.645 ( -1.950 -3.314 -5.906) 7.047 7.891 ( 0.063 -3.596 21.744) 22.040 8.110 ( -5.109 -0.342 10.997) 12.131 8.781 ( 15.149 -3.169 0.854) 15.501 9.083 ( 6.615 2.708 -1.952) 7.410 9.176 ( -3.807 -1.003 8.947) 9.775 9.291 ( -3.746 -7.026 5.123) 9.468 9.684 ( 3.511 1.760 -9.557) 10.332 9.965 ( -2.776 11.156 -6.282) 13.100 10.042 ( 0.306 20.333 -7.529) 21.684 10.165 ( -0.475 2.163 -1.870) 2.898 10.688 ( -10.823 6.237 2.198) 12.684 10.774 ( -4.589 1.127 2.316) 5.262 11.222 ( 6.459 9.593 -2.282) 11.788 11.473 ( 1.757 -3.637 1.882) 4.456 11.803 ( -2.900 17.874 9.231) 20.325 11.840 ( -1.667 3.421 11.454) 12.069 12.271 ( -0.924 -4.450 6.022) 7.545 12.409 ( -0.375 5.689 0.510) 5.724 12.522 ( -1.211 6.726 -1.438) 6.984 12.901 ( -10.309 0.917 -5.119) 11.547 13.065 ( -2.645 2.220 -5.165) 6.213 13.228 ( -5.359 4.788 -7.789) 10.598 13.431 ( 4.355 8.326 1.549) 9.523 13.964 ( -11.877 10.774 -4.454) 16.642 14.080 ( 2.805 1.852 -0.895) 3.479 14.187 ( -1.346 -5.340 3.038) 6.289 14.447 ( 9.220 -11.327 2.243) 14.776 14.587 ( 7.645 0.319 -2.184) 7.957 15.016 ( 1.403 -0.978 5.222) 5.495 15.267 ( -0.526 0.591 -2.845) 2.952 15.454 ( -3.888 0.934 4.937) 6.353 15.698 ( -10.007 10.985 -1.944) 14.986 16.229 ( 7.244 4.177 -0.233) 8.365 16.488 ( 7.589 -4.995 -10.995) 14.263 16.650 ( -0.317 -7.100 -0.573) 7.130 16.717 ( 1.155 -7.184 -0.416) 7.288 17.274 ( 8.225 -7.086 13.356) 17.212 17.746 ( -0.795 -4.652 -4.286) 6.376 17.968 ( -6.695 0.171 0.326) 6.705 18.105 ( -8.702 -2.784 -3.986) 9.968 18.466 ( 6.501 24.641 -0.218) 25.485 18.943 ( 0.357 21.997 -17.895) 28.359 19.518 ( -4.649 0.228 11.824) 12.707 19.815 ( -14.345 0.770 7.906) 16.398 20.346 ( 5.446 -7.112 -3.675) 9.683 20.551 ( 7.303 -10.288 -13.122) 18.203 20.859 ( -3.237 -12.040 -0.200) 12.469 21.051 ( -6.657 -10.343 -1.224) 12.361 21.186 ( 3.686 -12.170 5.944) 14.037 21.363 ( 1.492 -6.957 6.255) 9.474 22.393 ( 8.309 -8.282 9.313) 14.979 22.880 ( -4.000 -10.426 -4.416) 12.008 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 6.270 11.878 3.456) 13.869 1.882 ( -6.367 2.093 3.166) 7.412 2.364 ( 15.426 16.981 15.012) 27.417 2.619 ( -3.176 13.403 8.236) 16.049 2.978 ( -8.065 10.757 -0.244) 13.447 3.186 ( -19.484 11.972 0.068) 22.868 3.409 ( 7.584 33.304 -6.522) 34.773 3.484 ( 3.677 18.141 2.253) 18.646 3.560 ( -0.229 21.032 0.151) 21.033 3.699 ( -9.616 11.762 2.541) 15.404 3.824 ( 5.831 19.654 -3.638) 20.821 3.972 ( -6.406 23.979 -0.218) 24.821 4.025 ( 10.798 3.684 8.674) 14.332 4.132 ( 2.488 11.887 3.875) 12.748 4.223 ( -0.613 14.792 0.967) 14.836 4.316 ( -6.388 23.010 2.431) 24.004 4.419 ( 12.410 31.841 5.672) 34.641 4.527 ( 1.580 15.967 -2.734) 16.276 4.820 ( 10.890 16.951 3.250) 20.409 5.054 ( 10.016 27.706 4.120) 29.748 5.132 ( 0.487 27.554 6.911) 28.412 5.166 ( -9.479 27.454 2.651) 29.165 5.464 ( -5.739 16.300 -5.810) 18.231 5.543 ( -14.532 20.450 -2.526) 25.214 5.697 ( -1.935 12.112 -4.057) 12.919 5.754 ( -7.769 14.322 -2.771) 16.528 6.403 ( 16.473 10.277 -34.517) 39.603 6.673 ( -3.096 6.468 -10.298) 12.548 6.821 ( 2.136 10.922 -18.331) 21.445 6.878 ( -2.839 12.502 1.319) 12.888 7.424 ( 7.205 -8.663 -0.594) 11.283 7.540 ( -5.392 -5.617 -6.348) 10.046 7.945 ( 4.797 -2.552 20.390) 21.101 8.044 ( -3.541 -0.949 19.136) 19.484 9.003 ( 4.019 -2.698 3.068) 5.731 9.061 ( -3.739 -1.710 9.471) 10.325 9.250 ( 6.387 -4.991 -0.659) 8.132 9.297 ( 3.256 -4.090 1.145) 5.352 9.744 ( 2.574 -2.765 -6.853) 7.825 9.853 ( -7.244 2.375 -3.690) 8.469 10.070 ( 5.725 23.012 -4.846) 24.203 10.207 ( -1.375 23.228 -9.205) 25.023 10.482 ( -3.212 -1.306 0.856) 3.571 10.611 ( -10.148 1.940 -1.641) 10.461 11.379 ( 7.693 14.240 -0.849) 16.207 11.487 ( -1.732 4.909 -1.415) 5.395 11.752 ( -0.810 3.482 11.467) 12.011 11.785 ( -3.457 -0.417 15.947) 16.323 12.289 ( 4.899 8.062 2.626) 9.793 12.434 ( -6.654 9.822 1.098) 11.914 12.494 ( 6.420 -3.221 5.769) 9.213 12.673 ( -10.473 1.359 2.301) 10.809 13.024 ( 0.782 5.844 -7.269) 9.360 13.102 ( -5.709 5.556 -7.748) 11.113 13.570 ( 7.679 10.825 -3.938) 13.844 13.742 ( -9.254 13.068 -3.241) 16.337 14.126 ( 1.892 -2.984 1.950) 4.035 14.162 ( -1.458 -7.236 1.885) 7.618 14.635 ( 6.970 -6.582 -0.451) 9.597 14.688 ( 1.789 -2.762 -1.744) 3.724 15.077 ( 4.408 -0.893 3.841) 5.915 15.195 ( -6.108 -2.190 2.952) 7.128 15.422 ( 1.739 2.501 0.642) 3.113 15.515 ( -6.919 5.756 -2.177) 9.260 16.424 ( 9.418 2.192 1.523) 9.789 16.550 ( -1.657 -3.574 -3.194) 5.072 16.661 ( 1.210 -7.027 -1.234) 7.236 16.700 ( -2.311 -6.761 0.152) 7.147 17.515 ( 13.470 -3.492 1.541) 14.001 17.727 ( -3.114 -1.665 -5.819) 6.807 17.829 ( -4.443 -3.512 0.497) 5.685 17.898 ( -9.025 -3.015 -2.576) 9.858 18.639 ( 9.806 26.195 0.326) 27.972 18.848 ( -9.161 27.184 -5.537) 29.216 19.489 ( 3.321 -0.109 10.128) 10.659 19.610 ( -7.310 -1.879 8.309) 11.225 20.497 ( 8.537 -10.252 -7.619) 15.364 20.623 ( -0.956 -11.482 -13.742) 17.934 20.805 ( -1.584 -10.694 -2.879) 11.187 20.854 ( -7.834 -11.488 -1.990) 14.047 21.299 ( 4.504 -6.722 9.176) 12.234 21.361 ( -1.576 -5.460 9.264) 10.869 22.586 ( 9.431 -9.300 1.472) 13.326 22.762 ( -7.283 -9.899 -2.737) 12.590 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.000 16.155 18.756) 24.754 2.183 ( 0.000 16.859 3.830) 17.289 2.563 ( 0.000 16.063 8.806) 18.318 3.281 ( 0.000 20.217 3.144) 20.460 3.456 ( 0.000 -0.680 7.032) 7.065 3.494 ( 0.000 10.955 -0.813) 10.985 3.742 ( 0.000 16.108 -13.391) 20.947 3.795 ( 0.000 3.075 -13.183) 13.536 3.944 ( 0.000 10.417 -1.600) 10.539 4.029 ( 0.000 2.727 -2.272) 3.549 4.201 ( 0.000 17.243 -9.211) 19.549 4.212 ( 0.000 13.516 5.643) 14.647 4.356 ( 0.000 13.889 9.286) 16.707 4.507 ( 0.000 36.602 -6.575) 37.188 4.523 ( 0.000 18.277 7.641) 19.810 4.606 ( 0.000 10.087 12.525) 16.082 4.754 ( 0.000 25.192 0.863) 25.206 4.890 ( 0.000 15.828 3.216) 16.151 5.109 ( 0.000 20.414 -2.037) 20.515 5.248 ( 0.000 40.310 5.667) 40.706 5.342 ( 0.000 13.287 0.751) 13.308 5.866 ( 0.000 19.474 -2.286) 19.608 5.872 ( 0.000 6.831 -22.845) 23.845 6.164 ( 0.000 14.692 -9.808) 17.665 6.232 ( 0.000 18.887 -0.646) 18.898 6.455 ( 0.000 8.842 7.072) 11.322 6.556 ( 0.000 37.295 -7.319) 38.007 6.677 ( 0.000 16.898 7.475) 18.478 6.917 ( 0.000 17.458 -11.487) 20.898 7.320 ( 0.000 16.433 5.161) 17.224 7.417 ( 0.000 23.750 -15.355) 28.282 7.570 ( 0.000 -4.507 9.857) 10.839 7.911 ( 0.000 10.688 11.164) 15.456 8.244 ( 0.000 2.224 0.346) 2.251 8.493 ( 0.000 -1.496 9.180) 9.301 9.123 ( 0.000 6.404 -6.362) 9.027 9.195 ( 0.000 -8.468 3.671) 9.230 9.227 ( 0.000 2.064 9.197) 9.426 9.469 ( 0.000 -14.717 -2.561) 14.938 9.852 ( 0.000 -15.221 -7.486) 16.963 10.325 ( 0.000 16.033 -0.965) 16.062 10.543 ( 0.000 16.456 -14.788) 22.124 10.967 ( 0.000 11.432 -3.771) 12.038 11.030 ( 0.000 14.155 6.391) 15.531 11.242 ( 0.000 10.342 12.674) 16.358 11.343 ( 0.000 -5.011 5.913) 7.751 11.948 ( 0.000 -9.435 4.127) 10.298 12.086 ( 0.000 0.947 -4.514) 4.612 12.206 ( 0.000 13.269 -4.996) 14.178 12.644 ( 0.000 12.214 5.534) 13.409 12.698 ( 0.000 -1.171 9.036) 9.112 13.029 ( 0.000 0.889 -8.944) 8.988 13.167 ( 0.000 12.149 -5.417) 13.302 13.322 ( 0.000 3.409 -13.694) 14.112 13.512 ( 0.000 0.899 8.138) 8.188 13.852 ( 0.000 -10.709 -0.226) 10.712 14.076 ( 0.000 6.386 3.337) 7.205 14.445 ( 0.000 13.806 -9.083) 16.526 14.524 ( 0.000 13.202 3.310) 13.610 14.652 ( 0.000 13.730 -0.999) 13.766 15.031 ( 0.000 3.409 12.148) 12.617 15.296 ( 0.000 1.752 -2.112) 2.744 15.538 ( 0.000 1.071 3.909) 4.053 16.026 ( 0.000 -0.671 -11.949) 11.968 16.260 ( 0.000 2.492 -5.052) 5.634 16.310 ( 0.000 4.623 -4.761) 6.636 16.444 ( 0.000 -10.697 1.464) 10.796 16.540 ( 0.000 -6.250 2.178) 6.619 17.042 ( 0.000 -5.118 15.806) 16.614 17.658 ( 0.000 -4.740 -5.164) 7.009 18.002 ( 0.000 -4.941 1.416) 5.140 18.106 ( 0.000 -5.692 -1.830) 5.979 18.763 ( 0.000 11.098 2.098) 11.294 19.154 ( 0.000 5.566 -7.533) 9.366 19.452 ( 0.000 -8.482 7.600) 11.389 20.059 ( 0.000 -12.913 -9.400) 15.972 20.115 ( 0.000 -4.372 -0.923) 4.469 20.306 ( 0.000 0.851 -7.450) 7.498 20.724 ( 0.000 -5.207 10.763) 11.957 20.751 ( 0.000 -13.520 3.113) 13.874 20.951 ( 0.000 -16.996 -1.670) 17.077 21.236 ( 0.000 0.831 -5.833) 5.892 22.138 ( 0.000 -7.895 12.716) 14.967 22.689 ( 0.000 -11.685 -4.347) 12.468 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -4.985 14.149 7.421) 16.736 2.138 ( -4.098 13.782 6.829) 15.918 2.587 ( 4.462 21.356 12.700) 25.244 3.077 ( -9.184 22.542 5.230) 24.896 3.449 ( -4.815 -0.036 -1.725) 5.115 3.554 ( -10.679 7.084 -5.606) 13.987 3.638 ( 1.507 8.172 -0.655) 8.335 3.823 ( 2.472 15.035 -14.017) 20.704 3.882 ( 0.106 9.273 -2.131) 9.515 3.971 ( -0.738 2.937 -1.199) 3.257 4.177 ( -15.203 7.773 13.798) 21.953 4.276 ( -1.015 26.682 1.650) 26.752 4.345 ( 7.015 13.979 3.174) 15.959 4.410 ( 6.804 15.029 0.694) 16.512 4.649 ( 2.077 16.911 -3.437) 17.381 4.694 ( -0.761 21.653 -4.331) 22.095 4.819 ( 5.499 15.752 9.071) 18.991 4.867 ( 1.200 22.141 3.166) 22.398 5.109 ( -0.835 32.470 0.094) 32.481 5.290 ( 13.898 23.813 2.743) 27.709 5.512 ( 8.474 20.869 0.864) 22.540 5.741 ( -6.486 14.723 -10.878) 19.421 5.889 ( -1.651 11.463 -7.051) 13.559 6.055 ( -6.272 24.397 1.223) 25.220 6.263 ( -6.040 20.212 4.511) 21.572 6.444 ( 9.254 20.973 -18.063) 29.186 6.653 ( 0.242 26.785 -0.456) 26.790 6.800 ( 8.461 16.424 -0.689) 18.488 7.005 ( 7.430 19.210 -9.050) 22.498 7.142 ( -8.235 11.610 2.763) 14.500 7.425 ( -2.813 20.635 -6.391) 21.784 7.554 ( -2.130 -3.941 3.358) 5.599 7.902 ( -0.524 7.898 11.089) 13.624 8.141 ( -4.566 4.027 8.422) 10.392 8.719 ( 15.033 -2.348 2.496) 15.418 9.113 ( -4.908 -7.480 3.886) 9.754 9.144 ( -3.011 -0.406 3.551) 4.674 9.173 ( -0.279 3.423 1.887) 3.918 9.536 ( 4.187 -12.938 -4.657) 14.374 9.802 ( -4.536 -14.426 -6.962) 16.648 10.319 ( 0.053 14.801 -0.492) 14.810 10.550 ( -0.142 11.332 -12.468) 16.849 10.846 ( -6.630 17.511 0.197) 18.725 11.008 ( -4.002 16.858 3.532) 17.682 11.296 ( 4.845 -2.697 5.361) 7.713 11.486 ( 11.719 7.807 7.343) 15.881 11.869 ( -9.005 0.879 -4.852) 10.266 12.083 ( 3.424 -7.632 6.895) 10.841 12.241 ( 0.559 15.418 -3.978) 15.932 12.565 ( -4.126 4.972 5.267) 8.336 12.706 ( -2.532 6.577 7.026) 9.952 12.941 ( -8.014 2.903 -5.187) 9.978 13.129 ( -0.319 7.585 -6.041) 9.702 13.313 ( -3.900 3.301 -9.385) 10.686 13.552 ( 6.111 2.967 0.443) 6.808 13.883 ( 1.419 -9.617 -1.693) 9.867 14.081 ( 0.419 5.671 4.943) 7.534 14.315 ( -8.564 13.198 -2.718) 15.966 14.581 ( 4.519 13.185 0.615) 13.952 14.723 ( 3.242 10.425 -0.871) 10.952 15.052 ( 3.226 4.899 9.516) 11.179 15.286 ( -1.883 1.780 0.881) 2.737 15.482 ( -3.605 0.965 1.505) 4.024 15.884 ( -10.519 6.700 -11.436) 16.921 16.344 ( 7.164 3.674 -0.798) 8.091 16.367 ( 3.621 -7.485 -1.618) 8.471 16.465 ( 1.129 -7.552 -0.272) 7.641 16.569 ( 1.550 -6.011 2.886) 6.846 17.145 ( 9.731 -5.611 9.231) 14.539 17.643 ( -0.913 -5.553 -5.094) 7.591 17.909 ( -7.951 -5.485 0.846) 9.697 18.012 ( -8.520 -5.991 -2.266) 10.660 18.847 ( 7.694 12.157 2.729) 14.644 19.223 ( 5.186 7.115 -6.856) 11.159 19.455 ( 0.113 -5.798 7.396) 9.398 19.845 ( -15.632 0.738 0.298) 15.653 20.130 ( 2.652 -11.814 -2.533) 12.370 20.360 ( 2.189 -9.117 -10.198) 13.853 20.610 ( -3.198 -11.897 2.464) 12.564 20.801 ( -9.986 -14.067 -2.136) 17.383 20.999 ( 11.882 -5.554 6.110) 14.469 21.286 ( 2.490 -0.356 -1.466) 2.911 22.215 ( 6.840 -8.898 8.517) 14.089 22.652 ( -3.575 -11.481 -3.875) 12.634 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -2.460 13.076 2.049) 13.463 2.023 ( -5.243 11.590 2.564) 12.977 2.763 ( 11.034 21.304 7.332) 25.087 2.990 ( -5.710 20.808 4.019) 21.948 3.192 ( -2.435 11.807 1.010) 12.098 3.430 ( -16.084 12.882 8.530) 22.303 3.616 ( 6.767 2.964 -0.014) 7.387 3.769 ( -6.190 1.457 -1.000) 6.437 3.947 ( 0.500 9.611 -2.329) 9.902 3.994 ( 0.140 12.476 -4.812) 13.373 4.056 ( 6.571 6.340 0.580) 9.150 4.218 ( -4.600 17.922 -0.689) 18.516 4.450 ( 0.878 17.551 0.229) 17.575 4.515 ( -4.772 23.116 -2.376) 23.723 4.547 ( 7.387 15.032 7.483) 18.345 4.720 ( -7.871 18.016 8.418) 21.387 4.817 ( 5.099 12.300 -2.055) 13.473 4.887 ( -1.244 17.269 0.581) 17.323 5.324 ( 13.372 23.263 -9.884) 28.595 5.528 ( -6.868 14.128 -12.824) 20.279 5.634 ( 16.001 21.720 4.220) 27.306 5.731 ( 4.415 18.801 2.967) 19.539 5.890 ( 3.373 22.401 1.468) 22.701 5.938 ( -4.010 33.938 6.336) 34.757 6.106 ( -5.048 26.453 6.863) 27.791 6.353 ( -22.722 37.376 1.618) 43.771 6.725 ( 14.548 21.356 -23.449) 34.894 6.912 ( -0.574 15.280 -13.019) 20.083 7.142 ( 6.015 6.817 -0.925) 9.138 7.209 ( 6.193 20.091 -7.619) 22.361 7.318 ( -3.992 6.022 -0.596) 7.250 7.437 ( -8.208 3.471 -4.044) 9.786 7.947 ( 5.358 4.184 16.839) 18.160 8.066 ( -4.460 3.763 15.669) 16.720 8.946 ( 3.703 -2.095 2.746) 5.063 9.006 ( -4.656 -2.680 6.383) 8.343 9.117 ( 5.659 -6.761 3.133) 9.356 9.208 ( -0.292 -3.475 -1.778) 3.914 9.601 ( 2.624 -10.834 -7.124) 13.229 9.687 ( -5.717 -12.048 -6.820) 14.979 10.360 ( 4.385 10.714 0.020) 11.577 10.484 ( -6.207 4.535 -3.503) 8.448 10.795 ( 2.388 25.878 -3.450) 26.216 10.896 ( -6.048 20.232 -1.307) 21.157 11.435 ( 8.579 -2.932 1.156) 9.139 11.640 ( -10.040 3.339 -6.995) 12.683 11.774 ( 13.194 10.489 11.733) 20.537 12.037 ( -9.964 10.608 6.777) 16.054 12.331 ( 9.161 0.651 -1.316) 9.278 12.494 ( -4.519 1.459 -0.275) 4.756 12.633 ( -1.137 5.700 6.392) 8.639 12.737 ( -9.796 4.732 3.936) 11.569 13.169 ( 3.135 8.225 -7.066) 11.288 13.233 ( -3.130 6.282 -8.857) 11.301 13.708 ( 7.926 1.343 -4.300) 9.117 13.853 ( -4.934 -3.929 -4.728) 7.883 14.100 ( 1.672 5.885 5.926) 8.517 14.164 ( -5.089 9.924 3.845) 11.797 14.689 ( 4.949 7.557 0.726) 9.063 14.748 ( -0.553 6.350 0.354) 6.383 15.137 ( 3.369 6.641 5.117) 9.035 15.209 ( -4.389 3.329 4.080) 6.855 15.484 ( 5.110 3.773 -2.014) 6.664 15.661 ( -10.478 8.807 -7.173) 15.453 16.435 ( 2.731 -8.676 -0.208) 9.098 16.471 ( -0.680 -7.293 -0.211) 7.328 16.492 ( 5.884 -0.419 1.963) 6.217 16.569 ( -1.690 -4.929 3.306) 6.171 17.407 ( 14.278 -6.811 1.340) 15.876 17.646 ( -0.903 -5.853 -4.634) 7.520 17.715 ( -7.944 -7.548 0.374) 10.965 17.805 ( -9.543 -6.063 -2.641) 11.610 19.053 ( 11.408 14.383 2.572) 18.538 19.258 ( -5.240 13.845 -2.813) 15.068 19.470 ( 2.562 -2.021 5.886) 6.730 19.574 ( -8.447 -1.611 5.468) 10.191 20.224 ( 6.362 -15.368 -5.993) 17.680 20.352 ( -3.950 -14.864 -10.403) 18.568 20.572 ( -0.554 -11.595 0.066) 11.609 20.614 ( -5.817 -11.924 0.004) 13.267 21.203 ( 7.201 -2.215 4.620) 8.838 21.295 ( -1.843 -0.663 2.755) 3.380 22.384 ( 8.538 -10.243 1.904) 13.470 22.545 ( -6.687 -10.993 -2.112) 13.039 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.000 7.761 9.191) 12.029 2.480 ( 0.000 12.854 1.481) 12.939 2.957 ( 0.000 20.491 10.062) 22.828 3.334 ( 0.000 -7.211 6.548) 9.740 3.622 ( 0.000 10.658 -3.415) 11.192 3.715 ( 0.000 10.070 -4.633) 11.084 3.827 ( 0.000 -0.303 -10.244) 10.249 3.965 ( 0.000 6.428 -7.864) 10.157 4.087 ( 0.000 5.489 -0.906) 5.563 4.230 ( 0.000 17.678 1.038) 17.708 4.354 ( 0.000 0.260 -1.492) 1.515 4.428 ( 0.000 9.348 4.078) 10.198 4.617 ( 0.000 14.828 -4.530) 15.505 4.670 ( 0.000 2.074 9.991) 10.204 4.873 ( 0.000 5.241 -2.183) 5.677 5.027 ( 0.000 22.549 2.953) 22.742 5.204 ( 0.000 15.197 -2.634) 15.423 5.376 ( 0.000 20.931 -0.077) 20.931 5.391 ( 0.000 6.862 -1.518) 7.028 5.492 ( 0.000 3.347 -2.290) 4.056 5.949 ( 0.000 4.049 3.347) 5.253 6.090 ( 0.000 13.381 -8.592) 15.902 6.202 ( 0.000 37.304 1.336) 37.328 6.493 ( 0.000 10.122 9.259) 13.718 6.495 ( 0.000 14.808 -2.895) 15.088 6.867 ( 0.000 30.758 0.035) 30.758 6.943 ( 0.000 2.052 -7.085) 7.377 7.173 ( 0.000 28.997 8.853) 30.319 7.406 ( 0.000 14.272 -0.300) 14.275 7.559 ( 0.000 18.305 5.657) 19.159 7.797 ( 0.000 23.931 3.324) 24.160 7.823 ( 0.000 17.957 -14.825) 23.286 8.363 ( 0.000 10.074 -2.670) 10.422 8.409 ( 0.000 33.360 -4.635) 33.680 8.527 ( 0.000 5.474 14.559) 15.554 8.998 ( 0.000 -10.043 1.670) 10.181 9.151 ( 0.000 -11.391 -3.518) 11.921 9.214 ( 0.000 -4.486 -5.824) 7.351 9.363 ( 0.000 11.432 5.840) 12.837 9.559 ( 0.000 -6.811 0.431) 6.825 10.705 ( 0.000 19.216 -1.641) 19.286 10.792 ( 0.000 11.618 -8.824) 14.589 11.175 ( 0.000 0.567 0.472) 0.737 11.320 ( 0.000 12.757 -2.336) 12.969 11.396 ( 0.000 18.190 0.320) 18.193 11.510 ( 0.000 12.553 15.172) 19.692 11.771 ( 0.000 -4.616 9.698) 10.741 12.047 ( 0.000 -4.672 -12.900) 13.720 12.343 ( 0.000 0.621 -11.711) 11.727 12.650 ( 0.000 -0.875 14.418) 14.444 12.820 ( 0.000 3.696 4.657) 5.945 13.111 ( 0.000 6.773 -3.488) 7.618 13.388 ( 0.000 6.522 -1.021) 6.601 13.398 ( 0.000 4.084 -11.654) 12.349 13.501 ( 0.000 -0.045 5.544) 5.544 13.670 ( 0.000 -6.331 -0.496) 6.351 14.419 ( 0.000 23.078 -1.519) 23.128 14.735 ( 0.000 14.259 -9.274) 17.009 14.776 ( 0.000 10.990 6.405) 12.720 14.907 ( 0.000 10.428 1.732) 10.571 15.128 ( 0.000 5.221 9.636) 10.960 15.347 ( 0.000 3.020 -0.591) 3.078 15.525 ( 0.000 -2.771 1.157) 3.003 15.876 ( 0.000 -10.855 -8.618) 13.860 16.101 ( 0.000 -13.353 -1.408) 13.427 16.256 ( 0.000 -8.757 -3.702) 9.508 16.473 ( 0.000 6.021 2.250) 6.427 16.566 ( 0.000 7.463 0.164) 7.465 16.993 ( 0.000 0.486 10.503) 10.514 17.556 ( 0.000 -5.232 -5.508) 7.597 17.865 ( 0.000 -8.127 1.018) 8.190 17.961 ( 0.000 -8.679 -1.509) 8.809 18.845 ( 0.000 -2.699 4.335) 5.106 19.145 ( 0.000 -7.021 -2.971) 7.623 19.269 ( 0.000 -8.151 5.048) 9.588 19.800 ( 0.000 -10.372 -10.216) 14.558 20.050 ( 0.000 -2.592 3.455) 4.319 20.297 ( 0.000 -0.776 -7.187) 7.229 20.478 ( 0.000 -12.559 1.458) 12.643 20.598 ( 0.000 -16.813 -1.396) 16.871 20.742 ( 0.000 5.699 10.053) 11.556 21.299 ( 0.000 4.682 -9.535) 10.623 21.981 ( 0.000 -7.284 11.219) 13.376 22.461 ( 0.000 -10.484 -3.879) 11.178 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -4.235 8.663 7.195) 12.031 2.428 ( -4.803 13.740 1.474) 14.630 3.032 ( 6.728 20.877 9.256) 23.807 3.381 ( 3.164 -4.961 2.449) 6.374 3.517 ( -5.334 18.378 -0.205) 19.137 3.677 ( -8.409 5.100 -10.459) 14.357 3.756 ( -4.115 2.627 -6.106) 7.817 3.998 ( 0.142 5.412 1.750) 5.690 4.020 ( 3.579 3.673 -5.080) 7.218 4.153 ( -5.571 16.254 -0.127) 17.183 4.270 ( -10.320 4.128 9.934) 14.907 4.546 ( 5.289 9.274 0.742) 10.702 4.677 ( 1.773 9.055 3.277) 9.792 4.709 ( 1.318 10.294 3.009) 10.805 4.800 ( 4.267 4.816 -9.219) 11.243 5.042 ( -5.766 12.563 -2.271) 14.008 5.151 ( -0.169 17.154 4.621) 17.766 5.325 ( -3.954 14.914 -2.196) 15.585 5.497 ( 3.519 7.999 -2.902) 9.208 5.572 ( 9.135 6.682 -1.350) 11.399 5.937 ( -1.130 4.378 2.935) 5.390 6.045 ( 0.678 17.177 -2.296) 17.343 6.313 ( 7.309 34.776 -4.346) 35.800 6.527 ( 2.606 17.843 1.388) 18.086 6.539 ( 1.764 11.361 0.795) 11.524 6.927 ( 6.947 17.902 4.116) 19.639 6.986 ( 4.567 11.331 -9.643) 15.564 7.163 ( -1.356 25.026 8.704) 26.531 7.461 ( -3.417 15.894 -2.854) 16.506 7.547 ( -1.658 9.496 7.500) 12.214 7.638 ( -0.432 30.294 -1.970) 30.361 7.889 ( 0.229 25.043 -5.571) 25.656 8.269 ( -4.419 17.189 4.935) 18.421 8.363 ( -5.262 25.411 -5.164) 26.459 8.706 ( 12.543 1.393 5.580) 13.799 8.945 ( -2.561 -6.422 2.790) 7.455 9.185 ( -2.178 1.376 -3.381) 4.250 9.220 ( -0.760 -10.632 -3.351) 11.173 9.292 ( -1.169 1.303 3.032) 3.501 9.548 ( -1.910 -4.559 -1.024) 5.048 10.675 ( -2.049 19.278 -1.193) 19.423 10.765 ( -2.576 12.964 -6.530) 14.743 11.184 ( 0.586 -2.074 2.283) 3.140 11.203 ( -5.280 11.731 1.619) 12.966 11.411 ( 1.727 18.848 -0.262) 18.929 11.729 ( 14.815 13.977 10.138) 22.751 11.834 ( 3.799 -1.361 1.688) 4.375 11.989 ( -3.493 -2.109 -8.028) 9.005 12.390 ( 3.140 -1.144 -9.235) 9.821 12.612 ( -2.846 -0.346 14.185) 14.471 12.771 ( -4.966 3.290 1.043) 6.047 13.058 ( -6.646 7.666 1.385) 10.240 13.303 ( -3.647 7.131 -3.595) 8.779 13.356 ( -2.820 0.640 -4.610) 5.442 13.572 ( 4.985 0.355 -3.093) 5.877 13.713 ( 2.485 -6.289 -1.299) 6.886 14.375 ( -2.565 20.306 2.742) 20.650 14.604 ( -7.349 14.098 -1.114) 15.938 14.817 ( 0.746 9.055 -0.424) 9.095 14.931 ( -1.459 8.396 0.400) 8.531 15.210 ( 8.110 9.802 6.797) 14.424 15.344 ( -0.806 3.629 2.429) 4.441 15.475 ( -2.195 -1.690 -0.640) 2.843 15.928 ( 3.161 -3.910 -11.432) 12.488 16.132 ( 1.887 -12.563 -0.806) 12.729 16.265 ( 0.912 -8.728 -2.569) 9.144 16.419 ( -1.899 1.817 6.935) 7.416 16.605 ( -0.143 6.665 0.957) 6.735 17.043 ( 6.077 -4.509 6.500) 9.975 17.515 ( -2.799 -6.889 -5.340) 9.154 17.759 ( -9.236 -8.940 0.837) 12.882 17.861 ( -8.832 -8.927 -1.913) 12.702 18.956 ( 9.994 -1.339 4.438) 11.017 19.247 ( 8.448 -5.407 -2.712) 10.390 19.330 ( 5.224 -5.202 4.504) 8.639 19.783 ( -3.605 -5.386 -7.934) 10.245 19.989 ( -6.462 -1.820 1.747) 6.937 20.159 ( -7.830 -10.547 -3.331) 13.551 20.401 ( -2.689 -7.473 1.781) 8.140 20.505 ( -7.194 -14.061 -0.505) 15.803 20.969 ( 13.785 2.205 4.457) 14.655 21.330 ( 1.760 4.057 -6.270) 7.672 22.038 ( 5.283 -8.295 7.948) 12.644 22.426 ( -3.307 -10.404 -3.411) 11.438 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.209 12.406 3.440) 12.875 2.308 ( -5.636 14.557 1.539) 15.685 3.190 ( 7.284 19.615 -0.181) 20.925 3.339 ( -7.485 11.096 -6.529) 14.892 3.492 ( 4.802 14.509 7.034) 16.824 3.598 ( -0.495 2.779 0.379) 2.848 3.692 ( 0.502 5.030 -3.418) 6.102 3.878 ( -14.123 11.913 9.252) 20.663 4.038 ( 1.320 4.239 3.928) 5.928 4.073 ( -0.538 3.470 4.565) 5.760 4.268 ( 8.397 7.796 -9.723) 15.028 4.479 ( -9.244 8.268 -6.668) 14.081 4.676 ( -1.071 5.364 0.687) 5.512 4.697 ( -0.997 4.829 6.673) 8.297 4.954 ( 4.636 15.021 4.017) 16.225 5.043 ( 6.314 10.159 -3.835) 12.561 5.090 ( -3.095 13.789 6.245) 15.451 5.222 ( -6.089 12.625 -4.146) 14.617 5.591 ( 5.147 7.167 -7.327) 11.469 5.674 ( -1.302 6.534 -6.215) 9.111 5.973 ( 5.819 10.889 3.355) 12.794 6.073 ( -1.305 14.297 0.975) 14.390 6.444 ( 4.246 20.326 -4.011) 21.149 6.526 ( -3.040 15.162 -1.614) 15.548 6.669 ( 13.941 30.871 1.280) 33.897 6.998 ( -10.781 21.732 -5.577) 24.892 7.083 ( 1.441 4.688 6.261) 7.953 7.150 ( 1.286 6.722 6.894) 9.714 7.292 ( 5.671 31.555 -2.926) 32.194 7.523 ( -8.434 19.610 -1.733) 21.417 7.751 ( 8.307 25.412 -1.932) 26.805 7.867 ( -2.277 26.783 -1.327) 26.912 8.204 ( -0.888 19.654 3.966) 20.070 8.253 ( -4.600 18.180 3.152) 19.016 8.935 ( 2.041 0.380 3.506) 4.075 8.943 ( 7.974 -2.223 -0.932) 8.330 9.065 ( -5.066 2.718 5.119) 7.698 9.137 ( -5.308 -5.679 -2.931) 8.308 9.375 ( 5.103 -7.992 -4.494) 10.493 9.477 ( -4.523 -5.122 -3.387) 7.626 10.656 ( 0.651 18.403 -1.213) 18.455 10.700 ( -3.159 15.983 -3.059) 16.577 11.146 ( -0.103 6.172 4.269) 7.505 11.175 ( -1.891 4.427 4.048) 6.290 11.513 ( 8.580 13.532 -5.414) 16.913 11.728 ( -10.684 8.608 -9.638) 16.767 12.027 ( 11.672 12.042 6.671) 18.048 12.072 ( 6.546 -3.032 4.123) 8.309 12.416 ( 0.044 -1.210 -3.448) 3.655 12.518 ( -8.244 4.433 7.070) 11.730 12.698 ( 2.416 3.735 2.347) 5.030 12.854 ( -10.773 6.650 4.234) 13.349 13.286 ( 1.549 2.937 -3.867) 5.097 13.323 ( -1.375 1.930 -5.369) 5.869 13.671 ( 4.288 -2.808 -5.109) 7.237 13.732 ( -1.065 -5.565 -3.740) 6.789 14.368 ( 2.250 17.892 5.318) 18.801 14.459 ( -6.152 16.548 3.101) 17.925 14.834 ( 1.181 5.399 -0.115) 5.527 14.874 ( -2.748 4.990 0.134) 5.698 15.283 ( -0.228 5.223 3.013) 6.034 15.301 ( -2.430 4.684 3.901) 6.562 15.612 ( 13.542 9.595 -3.022) 16.870 15.875 ( -9.442 11.004 -10.055) 17.645 16.198 ( 4.567 -12.956 1.022) 13.776 16.266 ( -1.454 -10.895 -0.721) 11.015 16.440 ( 3.652 -5.073 6.753) 9.202 16.540 ( -5.032 -0.436 3.193) 5.976 17.247 ( 12.553 -8.646 1.490) 15.315 17.498 ( -1.966 -8.452 -3.714) 9.439 17.532 ( -7.766 -9.989 -0.116) 12.653 17.653 ( -9.734 -8.865 -2.715) 13.443 19.222 ( 15.026 1.387 3.803) 15.562 19.416 ( 5.782 -0.721 -0.806) 5.882 19.438 ( 3.604 0.360 2.491) 4.396 19.555 ( -15.858 1.907 1.108) 16.010 19.927 ( 1.876 -11.843 -3.889) 12.605 20.032 ( -6.477 -15.919 -5.126) 17.935 20.359 ( -0.763 -8.783 1.146) 8.890 20.387 ( -3.309 -9.365 1.423) 10.034 21.208 ( 8.769 2.378 1.758) 9.254 21.326 ( -2.723 3.310 -1.226) 4.458 22.179 ( 7.582 -9.645 2.073) 12.443 22.326 ( -6.237 -10.192 -1.715) 12.071 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 0.000 4.983 5.290) 7.267 2.710 ( 0.000 9.260 -2.516) 9.596 3.166 ( 0.000 -8.057 8.915) 12.016 3.339 ( 0.000 16.122 5.330) 16.980 3.720 ( 0.000 -6.181 -3.397) 7.053 3.812 ( 0.000 9.136 -5.572) 10.701 3.961 ( 0.000 10.976 -9.252) 14.355 4.049 ( 0.000 2.244 -5.676) 6.104 4.279 ( 0.000 12.467 -2.064) 12.637 4.346 ( 0.000 -0.323 1.222) 1.264 4.555 ( 0.000 12.140 0.462) 12.149 4.590 ( 0.000 4.978 2.284) 5.477 4.716 ( 0.000 3.793 6.705) 7.704 4.888 ( 0.000 11.541 -6.140) 13.073 4.939 ( 0.000 3.283 4.088) 5.243 5.324 ( 0.000 -4.229 5.378) 6.842 5.344 ( 0.000 6.884 -6.281) 9.319 5.466 ( 0.000 3.189 2.729) 4.198 5.536 ( 0.000 2.432 -1.161) 2.695 5.572 ( 0.000 1.105 -2.931) 3.132 6.011 ( 0.000 7.623 2.571) 8.045 6.280 ( 0.000 1.115 5.342) 5.457 6.630 ( 0.000 0.847 -9.614) 9.652 6.675 ( 0.000 14.702 9.268) 17.379 6.997 ( 0.000 24.425 -8.058) 25.720 7.018 ( 0.000 6.968 4.821) 8.473 7.469 ( 0.000 26.834 -6.523) 27.616 7.496 ( 0.000 5.150 4.388) 6.766 7.725 ( 0.000 22.770 6.648) 23.720 7.973 ( 0.000 12.149 -9.267) 15.280 8.218 ( 0.000 17.341 12.156) 21.178 8.282 ( 0.000 23.084 -4.824) 23.583 8.527 ( 0.000 1.635 -2.123) 2.680 8.667 ( 0.000 4.068 3.260) 5.213 8.881 ( 0.000 -10.001 -7.013) 12.215 8.906 ( 0.000 7.409 6.885) 10.114 9.099 ( 0.000 31.718 -7.857) 32.677 9.248 ( 0.000 13.951 -0.644) 13.965 9.641 ( 0.000 9.752 3.342) 10.309 9.661 ( 0.000 16.469 2.580) 16.670 10.964 ( 0.000 2.945 -0.682) 3.023 11.060 ( 0.000 13.083 -4.280) 13.766 11.270 ( 0.000 13.647 0.341) 13.651 11.491 ( 0.000 4.082 -4.963) 6.427 11.684 ( 0.000 3.625 15.378) 15.800 11.784 ( 0.000 5.312 7.138) 8.898 11.857 ( 0.000 22.221 -1.920) 22.304 11.985 ( 0.000 0.807 -6.321) 6.372 12.257 ( 0.000 -7.387 -5.598) 9.269 12.714 ( 0.000 8.072 12.110) 14.554 12.834 ( 0.000 -1.523 -11.396) 11.498 13.231 ( 0.000 3.741 4.173) 5.604 13.367 ( 0.000 -4.934 1.359) 5.118 13.467 ( 0.000 2.122 -10.736) 10.944 13.615 ( 0.000 8.243 1.504) 8.379 13.637 ( 0.000 3.455 1.075) 3.619 14.834 ( 0.000 13.443 -1.017) 13.482 14.950 ( 0.000 4.236 -3.291) 5.364 15.016 ( 0.000 14.617 2.868) 14.895 15.077 ( 0.000 6.241 1.017) 6.324 15.228 ( 0.000 5.184 2.877) 5.929 15.384 ( 0.000 -2.649 -1.154) 2.889 15.435 ( 0.000 -2.786 2.144) 3.516 15.634 ( 0.000 -11.293 1.312) 11.368 15.876 ( 0.000 -7.647 -1.545) 7.802 16.074 ( 0.000 -8.051 -2.921) 8.564 16.546 ( 0.000 1.619 2.353) 2.857 16.698 ( 0.000 3.811 -1.678) 4.164 17.049 ( 0.000 4.191 4.965) 6.498 17.452 ( 0.000 -4.797 -5.007) 6.934 17.683 ( 0.000 -9.534 0.552) 9.550 17.750 ( 0.000 -11.757 -1.090) 11.807 18.698 ( 0.000 -9.933 1.633) 10.067 18.902 ( 0.000 -14.807 -2.931) 15.095 19.150 ( 0.000 -3.636 7.037) 7.921 19.600 ( 0.000 -10.586 -4.413) 11.469 20.038 ( 0.000 1.087 2.581) 2.800 20.265 ( 0.000 -9.826 -3.596) 10.463 20.273 ( 0.000 -6.553 -0.299) 6.560 20.321 ( 0.000 -2.238 -1.750) 2.841 20.905 ( 0.000 9.257 6.492) 11.306 21.402 ( 0.000 4.875 -10.165) 11.273 21.848 ( 0.000 -5.486 10.186) 11.569 22.265 ( 0.000 -8.709 -3.502) 9.387 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -1.115 6.782 5.067) 8.539 2.684 ( -3.062 11.041 -1.284) 11.530 3.232 ( 5.830 -7.639 3.673) 10.287 3.417 ( 6.471 15.159 4.563) 17.102 3.665 ( -4.741 -5.543 -4.720) 8.688 3.804 ( -1.683 9.364 -5.873) 11.180 3.907 ( -3.077 13.449 -6.595) 15.292 4.071 ( 1.964 1.738 -3.205) 4.142 4.164 ( -2.411 9.324 2.798) 10.029 4.363 ( -5.601 5.681 4.669) 9.243 4.476 ( -4.266 13.731 0.560) 14.390 4.719 ( 5.179 5.724 6.578) 10.142 4.769 ( 3.173 -0.154 -2.781) 4.222 4.811 ( -6.628 7.530 1.840) 10.199 4.960 ( 5.990 8.172 -6.336) 11.950 5.155 ( -7.279 -1.313 -0.019) 7.396 5.369 ( -4.842 3.248 6.821) 8.974 5.486 ( -3.009 2.511 -3.385) 5.179 5.580 ( 5.637 1.136 -4.953) 7.589 5.655 ( 9.994 2.487 1.262) 10.376 6.015 ( 0.324 7.081 2.957) 7.681 6.274 ( -0.244 2.019 4.509) 4.946 6.637 ( 1.215 -0.243 -11.001) 11.070 6.743 ( 1.440 14.827 -1.426) 14.965 6.999 ( 3.095 12.678 0.982) 13.087 7.071 ( 5.065 14.583 4.863) 16.186 7.433 ( -1.302 14.784 6.097) 16.045 7.553 ( -0.751 14.008 -2.636) 14.274 7.756 ( 4.582 20.747 4.646) 21.749 7.893 ( -4.379 18.145 -0.912) 18.688 8.206 ( 1.989 21.706 -2.510) 21.941 8.374 ( 2.838 16.912 -3.006) 17.410 8.584 ( 3.021 15.067 -1.429) 15.434 8.670 ( 2.916 0.689 3.216) 4.395 8.902 ( 2.066 -4.592 -0.511) 5.061 8.938 ( 2.316 2.955 2.442) 4.479 9.042 ( -4.035 27.091 -5.688) 27.975 9.276 ( 1.576 13.689 -3.363) 14.184 9.500 ( -9.055 13.895 5.113) 17.355 9.657 ( -3.678 10.791 0.680) 11.420 10.979 ( 1.451 3.774 -0.419) 4.065 11.068 ( 0.473 13.348 -3.226) 13.741 11.206 ( -3.890 13.974 1.085) 14.546 11.406 ( -6.957 7.467 -3.066) 10.656 11.694 ( 1.703 6.654 9.482) 11.708 11.817 ( 5.844 -0.657 4.740) 7.553 12.026 ( 3.728 11.581 -9.894) 15.682 12.085 ( 13.160 14.381 2.123) 19.608 12.263 ( 0.447 -8.878 -3.091) 9.412 12.584 ( -6.692 0.351 10.276) 12.268 12.870 ( 0.128 5.035 -4.587) 6.812 13.181 ( -6.911 3.223 3.327) 8.320 13.333 ( -0.768 -1.914 -0.153) 2.068 13.435 ( -3.071 5.611 -7.619) 9.948 13.607 ( -0.142 3.051 -1.616) 3.456 13.655 ( 0.945 1.339 -1.151) 2.003 14.780 ( -4.325 15.891 0.206) 16.470 14.873 ( -5.602 12.884 3.830) 14.562 14.928 ( -2.587 1.675 -1.173) 3.298 15.044 ( -4.072 3.525 0.127) 5.387 15.347 ( 1.921 1.632 -0.330) 2.542 15.400 ( -2.241 -3.360 0.781) 4.114 15.483 ( 12.736 7.245 2.029) 14.793 15.753 ( 9.495 -10.013 2.537) 14.031 15.925 ( 4.606 -7.413 -4.025) 9.611 16.077 ( -0.081 -8.315 -2.827) 8.783 16.481 ( -5.692 1.883 4.445) 7.463 16.739 ( -1.078 5.751 -2.724) 6.454 16.953 ( -4.051 -4.311 5.377) 7.994 17.373 ( -5.597 -6.764 -5.249) 10.229 17.559 ( -10.364 -10.337 0.557) 14.649 17.648 ( -8.769 -11.576 -1.675) 14.619 18.837 ( 12.099 -8.536 1.734) 14.908 19.031 ( 11.026 -13.667 -2.781) 17.779 19.257 ( 8.679 -2.320 6.767) 11.247 19.673 ( 5.654 -7.633 -3.148) 10.007 19.952 ( -8.989 -3.579 -1.688) 9.822 20.000 ( -15.437 -2.319 -1.732) 15.706 20.262 ( -3.123 -7.589 1.687) 8.378 20.327 ( -1.677 -1.225 0.429) 2.120 21.062 ( 11.582 6.309 3.419) 13.625 21.429 ( 1.473 5.132 -7.814) 9.464 21.882 ( 3.509 -6.843 7.719) 10.895 22.231 ( -3.282 -8.753 -3.085) 9.844 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 3.401 10.472 3.459) 11.541 2.585 ( -5.816 12.276 1.035) 13.623 3.374 ( 7.216 -5.202 -2.888) 9.353 3.507 ( -3.730 2.413 -6.148) 7.585 3.601 ( 4.262 7.355 -1.152) 8.578 3.721 ( -5.508 10.105 -7.250) 13.601 3.929 ( 4.998 13.429 3.962) 14.866 4.061 ( -5.187 4.013 7.212) 9.748 4.180 ( 3.309 10.987 3.049) 11.873 4.278 ( -3.680 14.125 6.544) 15.996 4.393 ( 2.156 6.188 -4.417) 7.903 4.578 ( -11.545 1.333 -2.860) 11.969 4.780 ( 0.025 7.127 0.010) 7.127 4.796 ( -0.526 5.001 4.730) 6.903 5.104 ( 2.742 -0.185 6.096) 6.687 5.173 ( 6.867 3.479 -5.040) 9.201 5.236 ( -2.413 2.435 6.290) 7.163 5.387 ( -6.792 4.528 -5.972) 10.114 5.722 ( 7.084 4.613 -7.455) 11.271 5.811 ( 1.044 4.334 -6.029) 7.498 6.062 ( 6.384 0.868 6.604) 9.226 6.222 ( -6.094 -1.859 4.391) 7.738 6.661 ( 2.103 5.219 -12.285) 13.512 6.720 ( -2.528 10.057 -9.497) 14.061 7.146 ( 9.189 9.757 9.362) 16.348 7.205 ( 6.161 11.416 9.865) 16.298 7.365 ( -4.647 12.822 12.131) 18.253 7.427 ( -9.143 15.000 -4.390) 18.107 7.879 ( 5.050 19.448 3.063) 20.325 7.900 ( 2.770 22.169 -0.076) 22.341 8.263 ( 3.120 22.472 -7.282) 23.827 8.346 ( -4.335 16.317 -5.858) 17.871 8.652 ( 4.373 24.795 -0.496) 25.183 8.727 ( -1.147 18.303 -0.744) 18.354 8.955 ( 1.922 0.073 3.025) 3.584 8.970 ( 1.094 0.683 0.416) 1.355 9.031 ( 4.982 11.120 -0.659) 12.203 9.208 ( -9.351 11.399 -0.754) 14.763 9.410 ( 2.860 10.951 0.848) 11.350 9.530 ( -7.312 8.345 -0.752) 11.121 11.022 ( 2.470 7.421 -0.330) 7.828 11.063 ( -1.192 12.831 -1.261) 12.948 11.174 ( 1.398 12.305 1.652) 12.493 11.261 ( -6.332 8.611 0.088) 10.688 11.777 ( 6.466 8.526 0.475) 10.711 11.913 ( -2.684 0.695 -7.009) 7.538 12.042 ( 4.416 6.837 1.397) 8.258 12.189 ( -6.988 -4.827 -0.175) 8.495 12.396 ( 13.945 10.153 5.542) 18.118 12.561 ( 0.220 1.747 12.650) 12.772 12.845 ( 0.220 7.463 -4.278) 8.605 12.979 ( -10.521 4.336 1.657) 11.500 13.333 ( 0.275 0.995 -2.728) 2.916 13.362 ( -2.941 5.894 -3.856) 7.632 13.627 ( 1.770 -1.931 -4.951) 5.602 13.657 ( -0.805 -1.444 -4.008) 4.335 14.732 ( 0.464 14.929 3.205) 15.276 14.782 ( -3.663 13.742 4.811) 15.014 14.896 ( 0.331 1.681 -1.367) 2.192 14.950 ( -4.347 3.547 -0.930) 5.687 15.347 ( -0.472 1.429 1.419) 2.068 15.356 ( -1.454 0.766 1.234) 2.055 15.800 ( 15.886 4.853 -1.551) 16.683 15.940 ( 7.122 -11.276 3.129) 13.699 16.028 ( 1.405 -2.927 -4.146) 5.266 16.043 ( -4.436 -3.810 -4.530) 7.397 16.352 ( -1.734 -3.997 7.290) 8.493 16.529 ( -13.791 1.130 1.339) 13.902 17.059 ( 10.543 -9.615 1.222) 14.321 17.305 ( -10.092 -10.321 -0.903) 14.463 17.328 ( -0.584 -9.400 -3.121) 9.921 17.450 ( -9.014 -10.610 -2.795) 14.200 19.139 ( 15.659 -7.191 1.320) 17.282 19.289 ( 11.213 -10.861 -2.369) 15.790 19.390 ( 1.002 -4.556 4.935) 6.791 19.613 ( -16.682 -3.657 -1.040) 17.109 19.760 ( 2.199 -4.356 0.013) 4.880 19.831 ( -4.459 2.026 -2.808) 5.645 20.213 ( -0.129 -5.224 1.989) 5.592 20.264 ( -3.795 -3.128 0.743) 4.974 21.286 ( 8.997 4.937 0.812) 10.295 21.415 ( -3.369 5.185 -2.559) 6.692 21.993 ( 6.734 -8.514 2.098) 11.056 22.132 ( -6.100 -8.829 -1.553) 10.843 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.000 3.410 2.949) 4.508 2.802 ( 0.000 -1.754 -4.428) 4.763 3.084 ( 0.000 1.987 7.931) 8.177 3.508 ( 0.000 -4.950 -5.098) 7.106 3.676 ( 0.000 8.022 4.205) 9.058 4.003 ( 0.000 6.919 -5.554) 8.872 4.075 ( 0.000 3.044 -2.661) 4.043 4.185 ( 0.000 10.559 -7.104) 12.726 4.359 ( 0.000 1.764 4.018) 4.388 4.530 ( 0.000 6.096 -5.531) 8.231 4.617 ( 0.000 4.336 1.858) 4.717 4.703 ( 0.000 2.715 -1.129) 2.941 4.865 ( 0.000 9.064 7.643) 11.857 4.981 ( 0.000 -2.689 6.624) 7.149 5.052 ( 0.000 3.796 -2.473) 4.531 5.196 ( 0.000 -2.062 7.679) 7.951 5.361 ( 0.000 -2.044 -3.949) 4.446 5.440 ( 0.000 -5.637 -0.334) 5.647 5.546 ( 0.000 -1.645 -1.861) 2.483 5.713 ( 0.000 11.977 -4.572) 12.820 6.152 ( 0.000 -8.678 6.252) 10.696 6.192 ( 0.000 8.339 -2.408) 8.680 6.645 ( 0.000 -0.418 -6.015) 6.029 6.939 ( 0.000 9.262 12.527) 15.580 7.146 ( 0.000 4.987 10.711) 11.815 7.172 ( 0.000 -4.743 -16.821) 17.477 7.654 ( 0.000 9.338 -1.544) 9.465 7.924 ( 0.000 14.165 -8.359) 16.448 8.033 ( 0.000 6.759 6.695) 9.513 8.094 ( 0.000 0.893 2.274) 2.443 8.370 ( 0.000 1.239 3.471) 3.685 8.543 ( 0.000 4.649 -12.620) 13.449 8.577 ( 0.000 9.192 -0.843) 9.230 8.824 ( 0.000 11.267 -4.140) 12.004 9.011 ( 0.000 18.162 8.278) 19.959 9.198 ( 0.000 15.185 12.587) 19.723 9.636 ( 0.000 19.473 -2.062) 19.582 9.656 ( 0.000 21.774 -6.573) 22.745 9.860 ( 0.000 10.868 2.053) 11.061 9.979 ( 0.000 13.362 -1.080) 13.405 10.982 ( 0.000 1.665 0.597) 1.769 11.194 ( 0.000 0.335 -6.367) 6.376 11.528 ( 0.000 -6.279 5.746) 8.511 11.567 ( 0.000 11.719 -2.262) 11.936 11.747 ( 0.000 9.823 1.668) 9.964 11.881 ( 0.000 5.140 4.651) 6.932 11.921 ( 0.000 -13.388 0.190) 13.389 12.203 ( 0.000 19.345 4.115) 19.778 12.394 ( 0.000 18.784 -1.511) 18.844 12.757 ( 0.000 -6.601 -17.375) 18.586 12.952 ( 0.000 12.496 5.493) 13.650 13.242 ( 0.000 -3.087 6.203) 6.928 13.260 ( 0.000 -4.216 3.068) 5.215 13.509 ( 0.000 2.073 -8.243) 8.500 13.736 ( 0.000 4.333 1.917) 4.739 13.769 ( 0.000 6.006 0.283) 6.012 14.928 ( 0.000 -3.899 0.723) 3.965 15.002 ( 0.000 5.481 3.783) 6.660 15.122 ( 0.000 -0.478 2.256) 2.306 15.184 ( 0.000 -7.562 -2.439) 7.946 15.289 ( 0.000 1.828 -5.234) 5.544 15.299 ( 0.000 -1.586 -3.418) 3.768 15.491 ( 0.000 6.913 4.281) 8.132 15.526 ( 0.000 2.858 5.815) 6.480 15.797 ( 0.000 -0.575 -1.224) 1.353 15.942 ( 0.000 -4.839 -2.660) 5.522 16.567 ( 0.000 0.928 2.453) 2.623 16.710 ( 0.000 -1.928 -0.684) 2.046 17.137 ( 0.000 4.178 1.255) 4.363 17.362 ( 0.000 -4.033 -3.945) 5.641 17.490 ( 0.000 -8.957 -0.155) 8.958 17.505 ( 0.000 -11.294 -0.624) 11.311 18.502 ( 0.000 -8.267 -1.917) 8.487 18.611 ( 0.000 -12.505 -3.664) 13.031 19.104 ( 0.000 -1.214 9.777) 9.852 19.369 ( 0.000 -11.153 4.183) 11.911 20.032 ( 0.000 -2.132 -6.933) 7.253 20.064 ( 0.000 -7.061 -4.621) 8.438 20.244 ( 0.000 2.938 3.786) 4.792 20.345 ( 0.000 1.524 -0.363) 1.567 21.096 ( 0.000 9.128 4.372) 10.121 21.465 ( 0.000 0.314 -7.007) 7.014 21.780 ( 0.000 -0.370 6.843) 6.853 22.102 ( 0.000 -7.440 -3.056) 8.043 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 2.181 5.446 3.221) 6.693 2.855 ( 2.182 4.064 -5.411) 7.110 3.092 ( 2.320 -3.635 6.551) 7.843 3.485 ( -3.059 -8.082 -5.510) 10.249 3.715 ( 4.375 10.763 2.935) 11.983 3.985 ( -1.645 7.447 -5.839) 9.605 4.096 ( 1.728 2.653 -0.929) 3.299 4.168 ( -1.662 9.942 -3.827) 10.782 4.313 ( -0.738 5.407 4.251) 6.917 4.522 ( -4.436 7.934 -1.628) 9.234 4.655 ( 4.699 2.949 -5.183) 7.593 4.749 ( -1.120 1.691 0.448) 2.077 4.847 ( -0.991 7.120 8.407) 11.061 4.941 ( 1.645 -3.702 4.646) 6.164 5.059 ( -6.577 8.066 1.049) 10.460 5.123 ( 2.193 -0.279 1.607) 2.733 5.365 ( -5.327 -0.665 0.454) 5.388 5.455 ( 1.615 -5.245 1.313) 5.642 5.536 ( 3.548 -2.985 -1.091) 4.764 5.783 ( 4.772 7.401 -5.815) 10.553 6.138 ( -1.482 -4.913 3.019) 5.954 6.202 ( 0.235 5.601 0.122) 5.607 6.649 ( 1.563 -0.812 -9.143) 9.311 6.986 ( -8.140 0.427 -8.877) 12.052 7.060 ( 9.138 5.090 13.298) 16.919 7.287 ( 5.571 4.185 3.369) 7.739 7.610 ( -4.103 5.571 5.775) 9.012 7.797 ( -9.087 5.175 -0.464) 10.467 8.102 ( 5.685 12.248 2.752) 13.781 8.217 ( 9.167 12.401 -6.264) 16.645 8.423 ( 2.890 3.758 -0.609) 4.780 8.550 ( 2.309 4.994 -10.850) 12.165 8.697 ( 10.157 6.486 -1.291) 12.120 8.861 ( 3.143 7.053 -2.684) 8.175 9.044 ( 3.303 19.615 7.311) 21.192 9.178 ( -1.843 14.124 12.110) 18.696 9.582 ( -4.962 22.110 -4.902) 23.184 9.646 ( -1.860 18.477 -4.793) 19.179 9.782 ( -6.526 12.374 2.684) 14.244 9.895 ( -7.452 11.179 -0.791) 13.458 10.990 ( 0.889 1.514 0.541) 1.837 11.169 ( -2.412 -0.435 -5.150) 5.703 11.539 ( 1.018 1.495 4.411) 4.768 11.595 ( 3.171 9.703 -1.012) 10.258 11.746 ( -0.808 11.314 1.740) 11.476 11.856 ( -0.558 2.442 1.395) 2.867 11.957 ( 2.398 -12.243 3.232) 12.887 12.310 ( 8.061 15.385 1.122) 17.405 12.466 ( 3.557 14.506 -2.930) 15.220 12.637 ( -4.208 3.393 -3.420) 6.396 12.983 ( 0.049 6.673 1.164) 6.774 13.172 ( -5.501 -3.124 2.642) 6.856 13.310 ( 3.222 -0.734 2.645) 4.233 13.499 ( -0.061 0.902 -8.430) 8.478 13.706 ( -3.622 5.213 1.377) 6.496 13.726 ( -3.472 4.192 -0.998) 5.533 14.872 ( -3.994 -2.842 -0.462) 4.924 14.990 ( -1.807 3.897 1.690) 4.616 15.046 ( -4.472 2.440 -0.629) 5.133 15.154 ( -2.724 1.125 1.763) 3.435 15.312 ( 2.397 -0.259 -1.250) 2.716 15.329 ( 2.996 -1.152 -1.442) 3.519 15.547 ( 6.872 -0.745 4.693) 8.355 15.654 ( 5.330 0.382 4.275) 6.843 15.850 ( 5.305 -1.057 -2.858) 6.118 15.951 ( 2.458 -3.529 -3.970) 5.853 16.486 ( -8.765 -0.448 4.506) 9.866 16.748 ( 3.168 -5.839 1.325) 6.774 16.934 ( -15.829 3.587 -0.958) 16.258 17.245 ( -8.467 -5.887 -5.604) 11.737 17.353 ( -10.551 -9.179 0.215) 13.987 17.418 ( -7.818 -10.147 -1.291) 12.874 18.667 ( 13.807 -7.183 -0.804) 15.585 18.764 ( 12.819 -11.303 -2.611) 17.289 19.218 ( 8.302 -1.553 9.552) 12.751 19.469 ( 6.287 -10.578 5.208) 13.361 19.909 ( -10.165 -1.019 -7.435) 12.635 19.958 ( -5.823 -2.321 -7.607) 9.857 20.221 ( -2.414 2.549 5.364) 6.410 20.331 ( -2.707 0.707 1.031) 2.982 21.206 ( 8.982 7.386 2.702) 11.938 21.513 ( 3.499 2.077 -7.078) 8.164 21.776 ( 0.127 -2.689 6.678) 7.201 22.066 ( -3.417 -7.523 -2.721) 8.699 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 6.135 8.544 2.493) 10.810 2.807 ( -5.796 9.668 -0.208) 11.274 3.217 ( 8.247 -9.018 -1.687) 12.337 3.379 ( -6.832 -8.965 -5.115) 12.378 3.834 ( 5.933 10.523 -1.302) 12.150 3.934 ( -3.570 9.722 -5.219) 11.598 4.118 ( 0.686 2.223 2.025) 3.084 4.141 ( -0.848 6.791 0.824) 6.893 4.379 ( 7.035 5.960 2.426) 9.534 4.496 ( 2.501 10.630 0.272) 10.924 4.575 ( -9.658 -0.109 -0.186) 9.660 4.612 ( -8.023 10.761 3.977) 13.999 4.895 ( 2.804 4.329 2.826) 5.882 4.945 ( -2.879 6.361 -0.587) 7.006 5.058 ( 5.603 -0.670 4.914) 7.483 5.153 ( -2.869 -2.537 2.571) 4.613 5.305 ( 4.147 3.365 1.466) 5.538 5.421 ( -4.333 -1.066 -0.625) 4.506 5.681 ( 8.347 -7.276 -3.839) 11.720 5.823 ( -3.180 -4.514 -6.918) 8.851 6.118 ( 1.333 3.044 2.423) 4.113 6.177 ( -2.735 5.272 1.665) 6.168 6.720 ( 4.904 -1.492 -11.729) 12.800 6.836 ( -6.236 -1.602 -11.414) 13.105 7.261 ( 9.360 5.486 13.380) 17.225 7.386 ( 1.176 6.551 11.020) 12.874 7.516 ( -1.850 1.951 7.472) 7.941 7.615 ( -7.917 3.143 4.685) 9.721 8.229 ( 6.010 16.096 -2.606) 17.378 8.320 ( -1.448 17.750 -4.327) 18.327 8.518 ( 6.543 6.161 -10.016) 13.457 8.592 ( 0.016 7.915 -11.605) 14.047 8.957 ( 12.608 8.040 1.162) 14.999 8.959 ( 6.977 4.111 4.469) 9.249 9.113 ( -4.376 9.775 8.191) 13.483 9.117 ( 0.500 16.942 3.994) 17.413 9.461 ( -4.545 21.457 -4.492) 22.389 9.518 ( -8.646 17.553 -3.258) 19.836 9.692 ( -1.236 13.374 0.651) 13.446 9.735 ( -5.881 10.227 -0.231) 11.800 11.027 ( 2.842 0.857 -0.051) 2.969 11.101 ( -3.867 -0.412 -2.204) 4.470 11.581 ( 2.998 12.494 3.667) 13.362 11.642 ( -1.450 17.906 0.165) 17.966 11.749 ( 3.772 -3.354 1.113) 5.168 11.837 ( -2.809 -6.559 -3.083) 7.773 12.048 ( 7.212 -0.106 3.946) 8.221 12.245 ( -10.834 7.736 -1.701) 13.421 12.619 ( 11.912 7.480 3.434) 14.479 12.737 ( 5.247 14.691 4.339) 16.192 12.935 ( -2.550 1.791 -2.181) 3.803 13.026 ( -7.921 1.619 2.051) 8.341 13.387 ( 5.095 3.315 -1.322) 6.220 13.515 ( -2.856 6.396 -4.429) 8.287 13.592 ( -1.769 -0.788 -1.935) 2.738 13.655 ( -3.911 0.633 -2.556) 4.715 14.832 ( 1.047 -0.727 -2.676) 2.964 14.902 ( -4.839 1.297 -4.361) 6.641 15.030 ( 1.595 5.848 5.227) 8.004 15.086 ( -3.418 4.794 3.812) 7.014 15.349 ( 1.340 1.212 -1.138) 2.135 15.370 ( -0.065 2.188 -1.130) 2.463 15.726 ( 7.464 -7.102 3.282) 10.813 15.799 ( 12.185 -3.923 2.959) 13.138 15.850 ( -3.082 -6.447 0.207) 7.149 16.102 ( -3.411 1.354 -1.544) 3.981 16.253 ( 0.278 -5.114 3.881) 6.426 16.546 ( -17.669 -3.581 0.637) 18.039 16.895 ( 8.341 -3.943 -1.263) 9.312 17.106 ( -10.756 -7.950 -0.574) 13.387 17.159 ( -0.360 -7.134 -4.436) 8.408 17.247 ( -7.332 -8.673 -2.600) 11.651 18.991 ( 15.855 -6.389 0.266) 17.096 19.067 ( 14.910 -9.502 -1.730) 17.764 19.270 ( -5.617 -5.854 5.583) 9.849 19.407 ( -13.088 -10.556 1.177) 16.856 19.836 ( 5.494 5.948 -0.702) 8.127 19.930 ( 0.547 5.308 -4.234) 6.812 20.151 ( -1.819 -1.078 3.244) 3.872 20.230 ( -6.396 -0.867 0.368) 6.465 21.399 ( 8.616 6.036 0.674) 10.541 21.529 ( -3.182 5.816 -2.881) 7.229 21.831 ( 5.595 -7.367 2.192) 9.507 21.964 ( -6.212 -7.725 -1.477) 10.023 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 3.174 1.736) 3.618 2.713 ( 0.000 -4.779 0.286) 4.788 3.195 ( 0.000 7.117 0.010) 7.117 3.352 ( 0.000 -8.143 -3.721) 8.953 3.856 ( 0.000 7.747 1.356) 7.864 3.981 ( 0.000 -4.498 -2.085) 4.957 4.272 ( 0.000 10.679 -0.082) 10.680 4.363 ( 0.000 5.168 -1.025) 5.268 4.414 ( 0.000 3.063 5.415) 6.221 4.474 ( 0.000 -5.054 0.397) 5.069 4.695 ( 0.000 -1.810 -5.433) 5.727 4.731 ( 0.000 -3.858 -3.525) 5.226 4.930 ( 0.000 7.016 1.733) 7.226 5.057 ( 0.000 -2.946 0.160) 2.950 5.064 ( 0.000 9.352 4.748) 10.488 5.246 ( 0.000 3.318 4.132) 5.299 5.260 ( 0.000 -9.229 1.632) 9.372 5.315 ( 0.000 -4.006 -1.268) 4.201 5.581 ( 0.000 6.185 2.592) 6.706 5.760 ( 0.000 -8.608 2.761) 9.040 6.197 ( 0.000 12.459 -8.697) 15.194 6.314 ( 0.000 2.445 -8.083) 8.445 6.630 ( 0.000 1.238 0.764) 1.455 6.826 ( 0.000 -16.093 -0.488) 16.101 7.166 ( 0.000 4.371 4.198) 6.060 7.208 ( 0.000 0.654 9.751) 9.773 7.842 ( 0.000 8.676 -4.516) 9.781 7.991 ( 0.000 -4.776 -6.824) 8.330 8.065 ( 0.000 0.173 8.179) 8.181 8.079 ( 0.000 -1.113 6.015) 6.117 8.503 ( 0.000 8.058 -9.755) 12.653 8.591 ( 0.000 -0.408 -13.486) 13.492 8.822 ( 0.000 11.290 0.005) 11.290 8.950 ( 0.000 -0.204 -2.455) 2.463 9.335 ( 0.000 10.700 12.931) 16.784 9.406 ( 0.000 3.878 13.252) 13.808 9.939 ( 0.000 8.640 -2.764) 9.071 9.956 ( 0.000 7.142 -4.474) 8.427 10.061 ( 0.000 8.240 -1.587) 8.392 10.144 ( 0.000 1.634 -3.766) 4.105 11.072 ( 0.000 7.512 3.007) 8.091 11.233 ( 0.000 1.990 -0.415) 2.032 11.318 ( 0.000 -6.432 3.820) 7.481 11.529 ( 0.000 -15.034 -2.951) 15.321 11.803 ( 0.000 3.504 2.452) 4.276 11.843 ( 0.000 0.070 3.029) 3.030 12.178 ( 0.000 19.478 -9.642) 21.733 12.538 ( 0.000 -14.493 -16.507) 21.966 12.637 ( 0.000 19.927 5.342) 20.631 12.727 ( 0.000 11.474 -0.700) 11.495 13.018 ( 0.000 -5.087 3.650) 6.261 13.087 ( 0.000 -11.549 8.503) 14.342 13.340 ( 0.000 10.569 4.013) 11.305 13.506 ( 0.000 -3.991 -0.971) 4.107 13.801 ( 0.000 2.682 0.478) 2.724 13.835 ( 0.000 0.296 -0.271) 0.401 14.887 ( 0.000 1.396 1.266) 1.885 14.994 ( 0.000 -8.345 0.224) 8.348 15.091 ( 0.000 3.232 2.735) 4.234 15.120 ( 0.000 0.368 0.350) 0.508 15.239 ( 0.000 -1.857 -1.189) 2.205 15.264 ( 0.000 -3.096 -5.050) 5.924 15.619 ( 0.000 3.393 2.614) 4.283 15.622 ( 0.000 3.544 1.775) 3.964 15.821 ( 0.000 2.227 -1.691) 2.796 15.870 ( 0.000 -2.591 -2.140) 3.360 16.596 ( 0.000 2.104 2.927) 3.604 16.652 ( 0.000 -3.153 2.060) 3.766 17.216 ( 0.000 3.572 -1.322) 3.809 17.286 ( 0.000 -3.451 -2.856) 4.479 17.335 ( 0.000 -4.371 -0.992) 4.483 17.342 ( 0.000 -4.630 -0.952) 4.727 18.389 ( 0.000 -2.265 -3.681) 4.322 18.422 ( 0.000 -5.598 -4.018) 6.890 19.102 ( 0.000 1.389 10.873) 10.962 19.181 ( 0.000 -6.685 9.208) 11.378 19.982 ( 0.000 -1.362 -7.538) 7.660 19.988 ( 0.000 -1.565 -9.005) 9.140 20.318 ( 0.000 3.249 3.370) 4.681 20.358 ( 0.000 -0.543 1.673) 1.759 21.269 ( 0.000 7.760 2.630) 8.193 21.406 ( 0.000 -5.398 -0.436) 5.416 21.836 ( 0.000 5.037 0.525) 5.064 21.959 ( 0.000 -6.616 -2.115) 6.946 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 5.525 5.392 1.640) 7.892 2.808 ( 8.036 -5.768 -1.028) 9.946 3.149 ( -4.276 6.855 0.323) 8.085 3.309 ( -4.040 -8.494 -3.598) 10.071 3.903 ( 4.265 7.363 0.964) 8.564 4.011 ( 2.768 -3.067 -1.529) 4.406 4.231 ( -4.239 7.319 -0.941) 8.511 4.290 ( -4.113 1.697 -2.114) 4.926 4.432 ( 2.297 6.697 4.090) 8.176 4.560 ( 4.711 -3.370 2.165) 6.183 4.683 ( -0.914 -0.333 -3.691) 3.817 4.722 ( -1.897 -5.099 -1.723) 5.707 4.916 ( 0.658 7.182 2.028) 7.491 5.029 ( -1.214 3.501 1.305) 3.928 5.073 ( -0.279 1.559 3.118) 3.497 5.228 ( -1.680 0.042 -1.296) 2.123 5.302 ( 3.244 -2.193 3.769) 5.435 5.366 ( 3.864 -2.663 0.584) 4.729 5.538 ( -3.105 5.406 4.713) 7.815 5.731 ( -3.146 -10.702 2.203) 11.370 6.231 ( 2.991 12.930 -8.214) 15.608 6.338 ( 1.983 4.391 -7.909) 9.261 6.596 ( -2.123 -1.896 -3.503) 4.514 6.757 ( -5.225 -15.404 -5.214) 17.081 7.228 ( 6.262 6.471 9.374) 12.999 7.306 ( 6.819 -1.429 9.298) 11.618 7.714 ( -8.033 4.726 5.254) 10.699 7.796 ( -9.966 -3.000 3.884) 11.109 8.264 ( 13.539 4.756 -0.089) 14.350 8.323 ( 14.140 -0.536 -4.549) 14.863 8.559 ( 4.789 7.123 -9.850) 13.065 8.626 ( 2.885 1.012 -12.886) 13.244 8.860 ( 4.309 8.201 0.064) 9.264 8.956 ( 0.729 0.088 -1.531) 1.698 9.353 ( 1.464 8.977 11.333) 14.532 9.390 ( -1.781 5.143 12.340) 13.487 9.904 ( -4.163 8.800 -4.415) 10.689 9.925 ( -2.959 6.943 -4.341) 8.707 9.978 ( -7.032 7.076 -1.009) 10.027 10.044 ( -8.519 1.980 -2.624) 9.131 11.086 ( 1.368 8.141 2.948) 8.766 11.228 ( -1.042 7.047 -1.264) 7.235 11.324 ( 1.486 -11.172 5.690) 12.626 11.525 ( -0.996 -16.844 -1.250) 16.920 11.857 ( 5.064 6.335 0.696) 8.140 11.909 ( 6.049 0.239 2.176) 6.433 12.154 ( -2.111 18.224 -7.512) 19.824 12.463 ( -6.540 -10.379 -12.316) 17.383 12.665 ( 3.668 16.481 4.613) 17.503 12.808 ( 6.113 7.285 -1.692) 9.659 13.040 ( 1.781 -2.588 7.009) 7.680 13.103 ( -1.036 -4.821 5.669) 7.514 13.335 ( 1.531 5.967 1.265) 6.289 13.470 ( -2.135 -4.479 -2.017) 5.356 13.770 ( -3.170 2.132 0.107) 3.822 13.792 ( -4.461 0.908 -0.299) 4.562 14.858 ( -1.843 2.836 0.412) 3.407 14.983 ( -0.873 -7.303 -0.217) 7.358 15.044 ( -2.656 0.207 0.172) 2.669 15.073 ( -3.275 -1.363 -0.818) 3.641 15.313 ( 6.668 1.984 -0.959) 7.023 15.365 ( 6.474 -1.500 -2.344) 7.047 15.605 ( 0.900 5.183 5.395) 7.535 15.665 ( 0.615 -0.459 1.724) 1.887 15.836 ( 0.060 1.313 -2.337) 2.682 15.902 ( 5.337 -3.132 -3.077) 6.911 16.500 ( -10.539 2.570 5.947) 12.371 16.602 ( -6.329 -6.980 5.805) 11.067 17.025 ( -12.008 4.735 -5.693) 14.108 17.128 ( -10.377 -5.418 -6.386) 13.335 17.226 ( -8.663 -2.392 -0.152) 8.989 17.259 ( -7.281 -5.086 -0.876) 8.924 18.569 ( 14.610 -1.996 -1.693) 14.843 18.597 ( 14.224 -4.832 -2.086) 15.166 19.209 ( 6.697 1.255 10.161) 12.234 19.288 ( 6.173 -6.596 8.586) 12.464 19.903 ( -4.884 0.472 -8.647) 9.942 19.922 ( -2.961 -1.270 -9.620) 10.146 20.291 ( -3.298 3.236 4.185) 6.234 20.333 ( -3.266 -0.826 2.484) 4.186 21.353 ( 7.295 6.918 1.705) 10.197 21.478 ( 6.385 -4.866 -1.106) 8.103 21.803 ( -3.228 4.576 0.793) 5.656 21.922 ( -3.532 -6.625 -1.898) 7.743 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 8.187 8.138 0.785) 11.570 2.972 ( 2.104 2.628 -3.103) 4.578 3.050 ( -0.203 -2.815 1.088) 3.024 3.190 ( -7.291 -9.173 -3.052) 12.109 4.008 ( 5.305 6.557 -0.229) 8.437 4.083 ( 2.348 1.904 -2.372) 3.842 4.135 ( -2.760 2.261 -0.236) 3.576 4.203 ( -4.610 -1.164 -1.850) 5.102 4.505 ( 4.507 7.281 3.187) 9.137 4.605 ( -3.424 2.659 1.156) 4.487 4.637 ( 0.261 0.517 2.456) 2.523 4.675 ( -2.117 -3.318 1.217) 4.119 4.991 ( 4.309 4.343 0.086) 6.119 5.019 ( 0.215 4.834 0.264) 4.846 5.077 ( 1.576 -0.021 0.713) 1.730 5.161 ( -4.643 -0.990 -4.019) 6.220 5.368 ( 3.022 4.180 5.361) 7.439 5.417 ( -0.725 3.893 5.545) 6.814 5.521 ( 3.147 -6.792 3.026) 8.074 5.629 ( -6.041 -11.584 2.141) 13.238 6.305 ( 3.709 13.344 -7.020) 15.527 6.359 ( -0.861 11.002 -6.292) 12.703 6.587 ( 1.811 -10.142 -10.049) 14.391 6.656 ( -4.293 -13.627 -9.856) 17.357 7.382 ( 7.914 5.287 11.448) 14.888 7.451 ( 6.845 -0.957 10.395) 12.483 7.551 ( -7.526 3.131 10.355) 13.178 7.611 ( -7.942 -2.144 8.874) 12.100 8.497 ( 8.172 9.290 -6.365) 13.914 8.591 ( 9.672 0.079 -9.091) 13.274 8.606 ( -1.994 9.405 -9.325) 13.393 8.685 ( 0.676 1.185 -11.656) 11.736 9.033 ( 10.037 2.894 2.977) 10.862 9.057 ( 13.916 1.202 2.269) 14.151 9.284 ( -10.046 6.367 8.060) 14.367 9.328 ( -7.321 3.314 6.231) 10.169 9.781 ( -3.631 9.767 -4.046) 11.178 9.827 ( -5.419 9.873 -2.973) 11.649 9.857 ( -2.575 2.570 -1.471) 3.924 9.895 ( -4.764 3.379 -0.789) 5.894 11.129 ( 2.627 9.356 2.457) 10.024 11.186 ( -2.674 9.707 0.793) 10.100 11.388 ( 4.158 -14.668 4.708) 15.956 11.474 ( -3.710 -16.856 1.970) 17.371 11.983 ( 6.116 10.984 -1.952) 12.723 12.064 ( 4.427 6.392 -2.101) 8.054 12.107 ( 1.523 8.567 -3.071) 9.227 12.292 ( -9.611 -4.059 -6.067) 12.068 12.798 ( 8.660 10.087 4.167) 13.932 12.934 ( 5.923 0.267 0.198) 5.932 12.985 ( -8.261 5.008 5.046) 10.899 13.043 ( -3.666 -0.809 4.815) 6.105 13.439 ( 8.075 2.584 -0.985) 8.535 13.512 ( 6.708 -3.584 -2.508) 8.008 13.639 ( -9.539 2.445 -0.510) 9.861 13.668 ( -6.971 -0.042 -0.942) 7.035 14.859 ( 2.429 4.387 -2.470) 5.589 14.938 ( -4.064 2.807 -3.839) 6.256 15.008 ( 0.292 -7.870 -0.294) 7.881 15.030 ( -1.380 -4.086 0.407) 4.332 15.442 ( 4.907 5.931 -0.205) 7.700 15.484 ( 2.769 5.451 -1.833) 6.383 15.608 ( 1.158 -3.778 2.528) 4.691 15.673 ( -1.874 -6.925 0.113) 7.175 15.881 ( 7.945 7.997 3.585) 11.828 16.075 ( 9.329 -7.592 -0.159) 12.028 16.178 ( -16.259 3.064 7.698) 18.249 16.356 ( -14.865 -11.770 5.518) 19.747 16.921 ( 1.674 4.260 -5.373) 7.058 17.016 ( -1.895 -3.313 -4.892) 6.205 17.043 ( -6.178 -1.831 -2.230) 6.819 17.103 ( -6.544 -5.458 -2.358) 8.842 18.904 ( 16.333 -1.758 0.186) 16.428 18.927 ( 16.526 -4.049 -0.486) 17.022 19.193 ( -9.255 -1.027 4.467) 10.328 19.239 ( -11.245 -5.498 2.872) 12.842 19.943 ( 8.752 4.105 -2.409) 9.963 19.989 ( 8.601 -0.007 -4.523) 9.717 20.165 ( -8.375 2.153 3.107) 9.189 20.208 ( -8.538 -1.568 1.103) 8.750 21.526 ( 8.457 6.299 0.527) 10.558 21.625 ( 4.825 0.277 -2.518) 5.450 21.716 ( -2.894 -0.698 1.871) 3.516 21.816 ( -6.520 -6.802 -1.211) 9.499 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 0.000 26.011) 26.011 1.445 ( 0.000 0.000 32.757) 32.757 1.519 ( 0.000 0.000 -21.331) 21.331 1.960 ( 0.000 0.000 -22.457) 22.457 2.621 ( 0.000 0.000 8.825) 8.825 2.773 ( 0.000 0.000 -7.483) 7.483 3.017 ( 0.000 0.000 1.081) 1.081 3.035 ( 0.000 0.000 -0.620) 0.620 3.059 ( 0.000 0.000 73.404) 73.404 3.249 ( 0.000 0.000 10.442) 10.442 3.469 ( 0.000 0.000 2.016) 2.016 3.474 ( 0.000 0.000 -14.291) 14.291 3.522 ( 0.000 0.000 -3.738) 3.738 3.657 ( 0.000 0.000 15.581) 15.581 3.702 ( 0.000 0.000 -6.979) 6.979 3.902 ( 0.000 0.000 2.434) 2.434 3.923 ( 0.000 0.000 0.060) 0.060 4.184 ( 0.000 0.000 -10.149) 10.149 4.276 ( 0.000 0.000 3.870) 3.870 4.664 ( 0.000 0.000 -51.807) 51.807 4.728 ( 0.000 0.000 5.774) 5.774 4.889 ( 0.000 0.000 -12.154) 12.154 4.930 ( 0.000 0.000 0.660) 0.660 4.950 ( 0.000 0.000 -1.495) 1.495 5.444 ( 0.000 0.000 2.687) 2.687 5.708 ( 0.000 0.000 -18.972) 18.972 5.858 ( 0.000 0.000 21.168) 21.168 6.209 ( 0.000 0.000 -15.017) 15.017 6.458 ( 0.000 0.000 4.257) 4.257 6.545 ( 0.000 0.000 -4.495) 4.495 7.627 ( 0.000 0.000 -1.644) 1.644 7.633 ( 0.000 0.000 -1.651) 1.651 8.358 ( 0.000 0.000 6.013) 6.013 8.377 ( 0.000 0.000 6.081) 6.081 8.416 ( 0.000 0.000 14.790) 14.790 8.700 ( 0.000 0.000 -14.809) 14.809 8.731 ( 0.000 0.000 5.926) 5.926 8.853 ( 0.000 0.000 -5.677) 5.677 9.473 ( 0.000 0.000 14.280) 14.280 9.756 ( 0.000 0.000 -16.448) 16.448 9.955 ( 0.000 0.000 23.442) 23.442 10.335 ( 0.000 0.000 8.628) 8.628 10.394 ( 0.000 0.000 -21.449) 21.449 10.508 ( 0.000 0.000 -9.459) 9.459 11.153 ( 0.000 0.000 26.313) 26.313 11.523 ( 0.000 0.000 -10.954) 10.954 11.938 ( 0.000 0.000 20.975) 20.975 12.175 ( 0.000 0.000 -5.293) 5.293 12.378 ( 0.000 0.000 13.215) 13.215 12.647 ( 0.000 0.000 -15.062) 15.062 12.869 ( 0.000 0.000 10.560) 10.560 12.881 ( 0.000 0.000 -5.595) 5.595 12.956 ( 0.000 0.000 -4.926) 4.926 13.049 ( 0.000 0.000 -8.041) 8.041 13.075 ( 0.000 0.000 12.523) 12.523 13.312 ( 0.000 0.000 -9.388) 9.388 13.909 ( 0.000 0.000 2.962) 2.962 14.184 ( 0.000 0.000 -21.948) 21.948 14.928 ( 0.000 0.000 3.317) 3.317 15.024 ( 0.000 0.000 -6.850) 6.850 15.304 ( 0.000 0.000 5.597) 5.597 15.392 ( 0.000 0.000 -3.634) 3.634 15.744 ( 0.000 0.000 5.959) 5.959 15.834 ( 0.000 0.000 -3.680) 3.680 16.132 ( 0.000 0.000 0.391) 0.391 16.172 ( 0.000 0.000 -4.489) 4.489 16.722 ( 0.000 0.000 5.239) 5.239 16.761 ( 0.000 0.000 6.527) 6.527 16.867 ( 0.000 0.000 5.188) 5.188 17.155 ( 0.000 0.000 -18.676) 18.676 17.914 ( 0.000 0.000 13.102) 13.102 17.931 ( 0.000 0.000 0.475) 0.475 17.941 ( 0.000 0.000 -0.481) 0.481 18.108 ( 0.000 0.000 -8.557) 8.557 19.747 ( 0.000 0.000 12.257) 12.257 19.958 ( 0.000 0.000 -9.066) 9.066 20.459 ( 0.000 0.000 8.583) 8.583 20.580 ( 0.000 0.000 -5.897) 5.897 21.288 ( 0.000 0.000 3.383) 3.383 21.323 ( 0.000 0.000 0.556) 0.556 21.632 ( 0.000 0.000 3.511) 3.511 21.765 ( 0.000 0.000 -10.983) 10.983 22.831 ( 0.000 0.000 12.450) 12.450 23.035 ( 0.000 0.000 -9.398) 9.398 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 22.512 0.000 18.351) 29.044 1.589 ( 14.210 0.000 25.637) 29.312 1.684 ( 14.395 0.000 -16.967) 22.251 2.009 ( 7.623 0.000 -19.166) 20.626 2.576 ( -5.183 0.000 7.144) 8.826 2.693 ( -8.170 0.000 -5.344) 9.762 2.969 ( -2.590 0.000 1.353) 2.922 2.999 ( -3.152 0.000 -1.643) 3.554 3.060 ( -10.420 0.000 24.937) 27.026 3.333 ( -5.310 0.000 12.560) 13.636 3.385 ( 10.721 0.000 24.839) 27.054 3.506 ( 3.014 0.000 1.504) 3.368 3.551 ( 2.151 0.000 -3.372) 3.999 3.675 ( 3.126 0.000 6.691) 7.385 3.767 ( 4.833 0.000 -1.674) 5.114 3.900 ( -0.148 0.000 2.357) 2.361 3.918 ( -0.412 0.000 0.237) 0.475 4.229 ( 3.410 0.000 -6.669) 7.490 4.353 ( 8.404 0.000 3.291) 9.026 4.650 ( -2.924 0.000 -2.722) 3.995 4.811 ( 2.894 0.000 -12.248) 12.585 4.888 ( 4.467 0.000 -36.861) 37.131 4.920 ( -0.757 0.000 0.458) 0.885 4.937 ( -1.130 0.000 -1.285) 1.711 5.347 ( -7.816 0.000 -0.367) 7.825 5.557 ( -12.749 0.000 -14.468) 19.284 5.652 ( -12.271 0.000 20.956) 24.285 6.132 ( -3.745 0.000 -25.971) 26.240 6.675 ( 10.894 0.000 7.543) 13.250 6.774 ( 11.060 0.000 -2.609) 11.364 7.535 ( -1.959 0.000 -1.170) 2.282 7.580 ( -4.696 0.000 -6.502) 8.021 8.242 ( -3.258 0.000 12.369) 12.791 8.395 ( 0.057 0.000 -1.774) 1.774 8.450 ( 3.145 0.000 12.690) 13.074 8.684 ( -1.708 0.000 -11.479) 11.605 8.912 ( 12.558 0.000 5.482) 13.703 9.023 ( 12.261 0.000 -5.018) 13.248 9.544 ( 6.601 0.000 10.449) 12.359 9.729 ( -2.504 0.000 -9.464) 9.789 9.880 ( -6.708 0.000 20.842) 21.895 10.287 ( -9.722 0.000 -20.127) 22.353 10.329 ( -0.300 0.000 6.414) 6.421 10.473 ( -3.150 0.000 -8.474) 9.040 11.227 ( 6.382 0.000 21.296) 22.231 11.521 ( -0.681 0.000 -8.864) 8.890 11.962 ( 3.210 0.000 22.794) 23.019 12.234 ( 4.993 0.000 -5.270) 7.259 12.395 ( 1.646 0.000 11.430) 11.548 12.601 ( -3.687 0.000 -8.485) 9.252 12.697 ( -13.197 0.000 1.680) 13.303 12.760 ( -13.151 0.000 -4.234) 13.816 12.910 ( 3.145 0.000 4.988) 5.897 13.044 ( -0.594 0.000 -7.106) 7.130 13.125 ( -0.030 0.000 5.829) 5.829 13.238 ( -6.719 0.000 -2.844) 7.296 14.008 ( 8.015 0.000 6.050) 10.042 14.271 ( 5.989 0.000 -20.558) 21.412 14.922 ( -0.465 0.000 2.235) 2.283 14.992 ( -2.497 0.000 -5.086) 5.666 15.345 ( 3.257 0.000 4.309) 5.402 15.414 ( 1.699 0.000 -2.696) 3.187 15.743 ( 0.015 0.000 4.997) 4.997 15.820 ( -1.299 0.000 -3.184) 3.439 16.218 ( 8.624 0.000 3.901) 9.465 16.316 ( 10.076 0.000 -5.049) 11.270 16.518 ( -8.345 0.000 8.607) 11.988 16.736 ( -6.545 0.000 -9.481) 11.521 16.996 ( 6.873 0.000 2.210) 7.219 17.151 ( -0.719 0.000 -14.392) 14.409 17.911 ( 0.752 0.000 14.395) 14.415 17.931 ( 0.004 0.000 0.383) 0.383 17.939 ( -0.159 0.000 -0.391) 0.422 18.112 ( -0.170 0.000 -7.754) 7.756 19.697 ( -3.750 0.000 12.353) 12.909 19.884 ( -6.168 0.000 -5.937) 8.561 20.490 ( 3.886 0.000 7.646) 8.576 20.638 ( 3.977 0.000 -8.272) 9.178 21.182 ( -8.067 0.000 2.802) 8.540 21.256 ( -7.689 0.000 -3.925) 8.633 21.663 ( 2.123 0.000 3.932) 4.469 21.724 ( -1.398 0.000 -2.125) 2.543 22.817 ( -0.401 0.000 10.348) 10.355 22.996 ( -3.485 0.000 -8.561) 9.243 ======================= Grid point 152 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 22.765 0.000 8.780) 24.399 1.993 ( 22.333 0.000 14.799) 26.791 2.014 ( 13.306 0.000 -8.154) 15.606 2.249 ( 7.774 0.000 -11.469) 13.855 2.380 ( -11.633 0.000 3.974) 12.293 2.457 ( -13.201 0.000 -3.919) 13.770 2.741 ( -10.708 0.000 10.633) 15.090 2.939 ( -0.445 0.000 0.458) 0.639 2.948 ( -1.356 0.000 -0.453) 1.430 2.960 ( -21.330 0.000 -9.922) 23.525 3.565 ( 2.141 0.000 -0.116) 2.144 3.583 ( 0.478 0.000 -2.088) 2.142 3.800 ( 11.116 0.000 23.395) 25.902 3.825 ( 10.840 0.000 19.476) 22.289 3.899 ( 0.181 0.000 1.833) 1.842 3.908 ( -0.548 0.000 0.878) 1.035 3.944 ( 15.187 0.000 0.630) 15.200 4.229 ( -6.334 0.000 -0.718) 6.375 4.404 ( -3.001 0.000 10.389) 10.814 4.515 ( -12.054 0.000 2.190) 12.251 4.821 ( 14.305 0.000 4.715) 15.062 4.907 ( -0.299 0.000 -0.074) 0.308 4.913 ( -0.903 0.000 -0.741) 1.168 5.149 ( -9.858 0.000 2.949) 10.290 5.284 ( 4.163 0.000 -22.972) 23.346 5.325 ( -10.085 0.000 4.908) 11.216 5.418 ( 11.368 0.000 -27.564) 29.816 5.907 ( -20.245 0.000 -39.142) 44.068 6.819 ( 4.895 0.000 8.007) 9.385 6.876 ( 0.225 0.000 2.608) 2.618 7.555 ( 2.421 0.000 -3.198) 4.011 7.573 ( 1.384 0.000 -4.037) 4.268 8.264 ( 4.196 0.000 7.412) 8.517 8.359 ( -3.802 0.000 -1.052) 3.945 8.535 ( 4.668 0.000 6.396) 7.919 8.626 ( -3.782 0.000 -2.966) 4.806 9.166 ( 10.733 0.000 4.247) 11.543 9.245 ( 5.915 0.000 -3.687) 6.970 9.654 ( -0.724 0.000 8.913) 8.943 9.722 ( -5.377 0.000 9.871) 11.240 9.748 ( 8.907 0.000 -2.232) 9.182 10.022 ( -14.692 0.000 -15.664) 21.476 10.339 ( 1.572 0.000 0.781) 1.755 10.396 ( -3.700 0.000 -5.055) 6.265 11.372 ( 6.644 0.000 12.840) 14.457 11.479 ( -3.527 0.000 1.582) 3.865 12.094 ( 9.429 0.000 19.365) 21.539 12.300 ( -5.022 0.000 3.048) 5.874 12.444 ( 3.066 0.000 6.614) 7.290 12.452 ( -2.566 0.000 3.145) 4.059 12.518 ( -3.961 0.000 -0.191) 3.966 12.553 ( -7.645 0.000 -5.115) 9.198 12.975 ( 2.842 0.000 -0.757) 2.941 13.021 ( -1.636 0.000 -4.580) 4.863 13.068 ( -2.336 0.000 -0.773) 2.461 13.103 ( -5.210 0.000 -1.922) 5.553 14.198 ( 9.071 0.000 7.849) 11.995 14.324 ( -1.996 0.000 -3.440) 3.978 14.919 ( 0.430 0.000 -0.059) 0.434 14.943 ( -1.916 0.000 -2.543) 3.184 15.411 ( 2.630 0.000 2.537) 3.654 15.439 ( 0.152 0.000 -0.118) 0.192 15.752 ( 1.045 0.000 1.956) 2.218 15.785 ( -1.904 0.000 -1.419) 2.375 16.394 ( 5.314 0.000 1.023) 5.412 16.431 ( 2.170 0.000 1.293) 2.526 16.503 ( 4.001 0.000 -7.659) 8.641 16.579 ( -6.705 0.000 -12.162) 13.888 17.080 ( 1.981 0.000 -3.403) 3.937 17.118 ( -2.075 0.000 -7.640) 7.917 17.932 ( 0.085 0.000 0.144) 0.167 17.935 ( -0.181 0.000 -0.152) 0.236 17.975 ( 5.065 0.000 10.112) 11.310 18.076 ( -3.639 0.000 -0.740) 3.714 19.657 ( 1.062 0.000 7.060) 7.139 19.744 ( -6.478 0.000 -1.141) 6.577 20.611 ( 6.826 0.000 2.650) 7.323 20.697 ( 0.269 0.000 -5.862) 5.869 21.026 ( -4.635 0.000 -0.713) 4.689 21.069 ( -7.739 0.000 -4.448) 8.927 21.703 ( 1.819 0.000 6.120) 6.385 21.725 ( 0.000 0.000 4.216) 4.216 22.838 ( 2.464 0.000 2.761) 3.701 22.911 ( -4.227 0.000 -4.710) 6.328 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 35.581 17.658) 39.722 1.603 ( 0.000 14.428 22.601) 26.813 1.968 ( 0.000 36.915 -13.517) 39.312 2.053 ( 0.000 11.138 -16.274) 19.720 2.842 ( 0.000 18.087 7.876) 19.727 2.983 ( 0.000 16.880 -3.764) 17.294 3.130 ( 0.000 16.262 37.551) 40.921 3.233 ( 0.000 15.209 3.644) 15.639 3.341 ( 0.000 10.843 7.546) 13.210 3.444 ( 0.000 17.362 10.741) 20.416 3.528 ( 0.000 11.342 -6.570) 13.107 3.633 ( 0.000 14.133 0.957) 14.165 3.665 ( 0.000 9.978 12.425) 15.936 3.741 ( 0.000 13.470 2.283) 13.662 3.747 ( 0.000 5.671 -3.480) 6.654 4.151 ( 0.000 19.755 3.217) 20.015 4.185 ( 0.000 16.628 -3.408) 16.973 4.240 ( 0.000 12.190 -1.762) 12.317 4.271 ( 0.000 3.627 3.423) 4.987 4.687 ( 0.000 3.462 -48.213) 48.337 4.771 ( 0.000 5.605 5.378) 7.768 4.909 ( 0.000 3.835 -15.606) 16.070 5.076 ( 0.000 12.707 4.650) 13.532 5.160 ( 0.000 18.446 -2.820) 18.661 5.479 ( 0.000 4.148 -0.190) 4.152 5.709 ( 0.000 0.440 -18.472) 18.478 5.887 ( 0.000 6.176 19.887) 20.824 6.222 ( 0.000 2.561 -14.967) 15.184 6.481 ( 0.000 2.603 4.917) 5.564 6.586 ( 0.000 4.506 -5.714) 7.276 7.565 ( 0.000 -4.394 3.086) 5.369 7.624 ( 0.000 -0.895 -2.794) 2.934 8.326 ( 0.000 -4.214 6.989) 8.161 8.329 ( 0.000 -2.438 4.673) 5.270 8.705 ( 0.000 -1.884 6.480) 6.748 8.835 ( 0.000 0.565 -5.203) 5.234 8.942 ( 0.000 36.018 -1.345) 36.043 9.061 ( 0.000 28.584 -10.620) 30.493 9.474 ( 0.000 0.406 14.234) 14.239 9.754 ( 0.000 0.077 -15.936) 15.937 9.876 ( 0.000 -5.440 21.771) 22.440 10.235 ( 0.000 -6.252 -11.771) 13.328 10.589 ( 0.000 12.890 -1.221) 12.947 10.693 ( 0.000 14.128 -8.178) 16.324 11.163 ( 0.000 1.286 23.270) 23.305 11.486 ( 0.000 -3.113 -9.396) 9.899 11.964 ( 0.000 4.993 21.983) 22.543 12.082 ( 0.000 -16.675 8.250) 18.604 12.247 ( 0.000 7.250 -6.310) 9.611 12.325 ( 0.000 -16.055 -15.787) 22.516 12.754 ( 0.000 -7.297 14.797) 16.498 12.967 ( 0.000 -0.422 -3.206) 3.234 12.970 ( 0.000 0.029 -4.861) 4.861 13.016 ( 0.000 -2.860 -12.554) 12.876 13.452 ( 0.000 22.283 16.332) 27.628 13.631 ( 0.000 24.108 -3.675) 24.386 13.921 ( 0.000 2.378 -2.089) 3.166 14.102 ( 0.000 -6.388 -17.077) 18.233 14.817 ( 0.000 -27.968 11.715) 30.322 14.972 ( 0.000 -33.572 -5.166) 33.967 15.015 ( 0.000 1.347 0.620) 1.482 15.075 ( 0.000 2.947 -5.720) 6.435 15.606 ( 0.000 -0.303 5.188) 5.196 15.664 ( 0.000 2.428 0.312) 2.448 16.132 ( 0.000 -0.082 -0.669) 0.674 16.152 ( 0.000 -1.751 -4.804) 5.113 16.784 ( 0.000 -1.566 2.304) 2.786 16.806 ( 0.000 -4.452 -0.705) 4.507 17.601 ( 0.000 26.687 1.087) 26.709 17.645 ( 0.000 36.593 -6.937) 37.245 17.755 ( 0.000 11.894 -1.277) 11.962 17.822 ( 0.000 -7.610 -3.841) 8.525 18.092 ( 0.000 7.662 3.745) 8.528 18.169 ( 0.000 3.300 -4.180) 5.326 19.775 ( 0.000 2.026 11.795) 11.967 19.973 ( 0.000 1.161 -8.402) 8.482 20.404 ( 0.000 -5.106 6.354) 8.151 20.502 ( 0.000 -7.515 -5.374) 9.239 21.220 ( 0.000 -6.470 4.612) 7.946 21.263 ( 0.000 -5.783 0.926) 5.857 21.510 ( 0.000 -10.986 1.010) 11.033 21.575 ( 0.000 -15.695 -5.570) 16.654 22.749 ( 0.000 -7.033 14.045) 15.707 22.966 ( 0.000 -6.462 -9.568) 11.545 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 3.815 13.875 18.915) 23.767 1.806 ( 5.305 9.554 -6.329) 12.629 1.977 ( 12.494 28.426 10.798) 32.874 2.257 ( 13.636 26.646 -13.732) 32.932 2.780 ( -6.906 13.603 6.720) 16.670 2.894 ( -9.000 16.491 -4.015) 19.212 3.105 ( -4.215 12.521 15.685) 20.508 3.220 ( -2.507 17.537 -0.987) 17.743 3.287 ( -9.861 18.006 0.662) 20.541 3.361 ( -8.081 10.992 -3.478) 14.080 3.518 ( 7.815 13.126 26.382) 30.486 3.651 ( 5.486 6.536 5.613) 10.214 3.761 ( 4.024 15.391 2.874) 16.166 3.778 ( 3.169 11.887 9.248) 15.391 3.809 ( 6.449 12.116 -1.582) 13.816 4.092 ( -2.416 12.971 0.943) 13.227 4.177 ( -1.166 15.606 4.338) 16.240 4.333 ( 6.308 14.007 1.883) 15.477 4.392 ( 10.619 9.449 -1.062) 14.253 4.686 ( -6.011 5.473 1.101) 8.203 4.804 ( 2.087 2.447 -8.329) 8.928 4.915 ( 7.217 3.616 -44.119) 44.852 5.083 ( 0.932 13.864 3.243) 14.269 5.143 ( -2.258 17.460 -1.396) 17.660 5.400 ( -6.083 5.656 -3.891) 9.173 5.569 ( -11.169 1.818 -14.870) 18.686 5.734 ( -11.391 9.894 20.295) 25.289 6.171 ( -3.050 4.740 -24.041) 24.693 6.667 ( 9.836 0.141 7.117) 12.142 6.757 ( 9.332 0.284 -2.125) 9.575 7.498 ( -1.981 -3.513 1.057) 4.169 7.564 ( -4.602 -1.390 -6.192) 7.839 8.209 ( -3.370 -2.217 11.311) 12.009 8.331 ( -1.034 -3.538 0.636) 3.740 8.870 ( 11.724 4.881 5.183) 13.716 8.953 ( 5.273 18.728 0.647) 19.466 9.023 ( 8.817 10.973 -5.145) 14.987 9.062 ( 0.564 27.752 -6.769) 28.571 9.526 ( 5.037 -0.858 10.204) 11.412 9.725 ( -2.651 0.022 -10.833) 11.153 9.813 ( -5.449 -4.108 19.875) 21.014 10.163 ( -6.970 -6.512 -13.795) 16.772 10.530 ( -4.652 11.639 1.047) 12.578 10.632 ( -5.386 11.480 -7.629) 14.799 11.221 ( 5.100 -0.141 18.118) 18.823 11.475 ( -1.198 -3.520 -7.857) 8.693 11.985 ( 2.893 1.960 22.566) 22.835 12.131 ( 3.043 -11.574 9.123) 15.048 12.243 ( 0.277 -3.536 -6.068) 7.029 12.352 ( 1.615 -5.253 -10.389) 11.753 12.746 ( -0.967 -8.171 9.167) 12.318 12.826 ( -9.340 0.010 -1.059) 9.400 12.889 ( -6.109 4.770 -2.729) 8.217 13.011 ( -2.913 -1.168 -10.345) 10.810 13.346 ( -6.435 14.198 10.948) 19.049 13.528 ( -8.351 20.389 -6.005) 22.837 14.020 ( 8.554 1.790 5.322) 10.232 14.223 ( 6.742 -3.174 -14.597) 16.388 14.810 ( -0.185 -20.213 5.507) 20.950 14.888 ( -3.668 -15.276 -3.101) 16.013 15.125 ( 6.252 -13.823 -0.046) 15.171 15.158 ( 6.982 -4.412 -4.109) 9.225 15.563 ( -3.820 -2.564 3.740) 5.929 15.589 ( -5.617 -0.609 1.557) 5.861 16.222 ( 9.491 0.495 3.799) 10.235 16.325 ( 11.253 0.277 -7.835) 13.715 16.735 ( -3.184 0.722 2.449) 4.082 16.792 ( -2.046 -2.641 -2.893) 4.419 17.503 ( -5.530 23.372 -1.749) 24.081 17.568 ( -7.731 26.526 -9.361) 29.173 17.798 ( 4.884 4.295 5.629) 8.602 17.889 ( 2.641 1.784 -4.274) 5.331 18.092 ( 0.936 10.106 5.768) 11.674 18.204 ( 2.336 10.110 -5.860) 11.917 19.722 ( -4.166 1.932 11.859) 12.717 19.890 ( -6.679 0.304 -4.463) 8.039 20.438 ( 3.872 -4.915 5.210) 8.142 20.559 ( 3.979 -7.506 -7.856) 11.571 21.096 ( -8.174 -7.863 3.384) 11.835 21.181 ( -8.795 -7.176 -4.536) 12.224 21.552 ( 3.546 -10.187 4.548) 11.706 21.610 ( 2.577 -9.376 -0.833) 9.759 22.749 ( 0.441 -6.175 10.843) 12.486 22.931 ( -3.149 -6.106 -8.516) 10.942 ======================= Grid point 157 (54/72) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 15.003 -1.843 10.523) 18.418 1.916 ( 2.738 -5.809 -6.822) 9.369 2.346 ( 17.862 22.391 15.016) 32.340 2.498 ( 3.522 19.320 2.191) 19.760 2.630 ( -4.305 17.569 -4.113) 18.550 2.671 ( -5.653 13.952 -10.772) 18.511 2.873 ( -12.835 17.872 9.610) 24.010 3.011 ( -14.940 12.450 -3.896) 19.834 3.203 ( -1.279 22.124 -1.132) 22.190 3.213 ( -2.130 21.806 -2.381) 22.039 3.677 ( 5.344 6.690 4.770) 9.801 3.734 ( 0.121 10.856 -2.269) 11.091 3.870 ( 6.207 9.685 6.018) 12.982 3.900 ( 5.619 9.680 10.870) 15.602 4.011 ( 6.641 13.068 2.464) 14.864 4.051 ( -1.768 11.038 0.333) 11.183 4.203 ( 6.614 12.153 16.282) 21.367 4.376 ( -3.913 12.309 3.580) 13.403 4.538 ( -5.285 8.935 5.716) 11.850 4.542 ( 0.131 21.704 3.228) 21.943 4.840 ( 12.884 3.156 4.706) 14.075 5.031 ( -2.246 8.629 -1.959) 9.129 5.096 ( -0.229 14.237 1.143) 14.285 5.277 ( -6.098 10.017 1.157) 11.784 5.341 ( 2.876 9.294 -19.811) 22.071 5.352 ( -10.004 5.735 3.981) 12.199 5.471 ( 9.649 6.046 -24.026) 26.587 5.955 ( -19.989 5.580 -36.839) 42.282 6.805 ( 5.015 -0.342 7.628) 9.135 6.859 ( 0.749 -0.370 2.592) 2.724 7.515 ( 1.919 -4.117 -2.851) 5.362 7.534 ( 0.539 -3.496 -3.914) 5.275 8.230 ( 3.781 -1.323 8.161) 9.091 8.300 ( -2.335 -2.164 2.058) 3.791 8.999 ( 1.854 33.185 2.605) 33.338 9.025 ( -0.503 27.542 0.317) 27.549 9.153 ( 9.298 1.732 1.926) 9.652 9.217 ( 5.263 -2.423 -3.425) 6.731 9.630 ( 1.011 -1.447 7.078) 7.295 9.673 ( -2.644 -2.954 1.630) 4.286 9.730 ( 4.359 0.528 3.658) 5.716 9.952 ( -12.551 -4.316 -13.060) 18.621 10.460 ( -0.861 7.045 0.229) 7.101 10.510 ( -5.181 6.871 -4.857) 9.881 11.341 ( 5.605 -2.016 9.273) 11.021 11.431 ( -3.107 -3.229 -0.220) 4.487 12.086 ( 5.991 -3.810 17.356) 18.752 12.163 ( -0.487 -9.025 8.343) 12.300 12.261 ( 1.634 -5.038 1.013) 5.392 12.335 ( -4.156 1.502 -0.500) 4.448 12.677 ( -0.561 4.378 4.555) 6.343 12.755 ( -6.027 2.107 4.283) 7.688 12.784 ( 3.270 -3.774 -5.576) 7.485 12.900 ( -6.653 -2.282 -8.273) 10.859 13.283 ( 0.637 12.119 0.066) 12.136 13.361 ( -6.593 14.842 -5.946) 17.295 14.195 ( 7.160 -0.120 6.267) 9.517 14.285 ( -1.028 -3.472 -1.776) 4.033 14.817 ( 0.716 -12.261 -1.537) 12.377 14.837 ( -1.430 -11.197 -3.099) 11.705 15.263 ( 6.741 -14.988 1.407) 16.494 15.305 ( 5.569 -12.116 -3.092) 13.689 15.453 ( -5.227 -2.716 3.163) 6.686 15.480 ( -5.128 -2.368 0.397) 5.663 16.432 ( 8.516 1.018 2.953) 9.071 16.498 ( 3.298 0.473 -4.043) 5.239 16.694 ( -0.095 3.006 -1.160) 3.223 16.733 ( -3.083 1.076 -4.311) 5.408 17.413 ( -2.528 20.125 -4.754) 20.833 17.429 ( -4.339 21.330 -6.629) 22.754 17.881 ( 2.600 -1.858 2.207) 3.884 17.910 ( -0.341 -2.015 -1.137) 2.339 18.151 ( 4.270 18.112 5.575) 19.426 18.221 ( -1.445 17.715 -1.418) 17.830 19.668 ( 0.321 0.734 7.379) 7.423 19.746 ( -6.379 -0.096 0.062) 6.380 20.551 ( 6.034 -5.796 0.729) 8.398 20.620 ( 0.634 -7.337 -6.303) 9.693 20.952 ( -4.095 -6.799 -0.389) 7.946 20.990 ( -7.289 -7.172 -3.953) 10.963 21.621 ( 2.664 -7.385 6.003) 9.883 21.647 ( 0.397 -7.063 3.640) 7.956 22.780 ( 2.646 -5.455 2.940) 6.738 22.852 ( -4.015 -5.560 -4.484) 8.194 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.000 17.466 10.752) 20.510 2.078 ( 0.000 14.328 0.756) 14.348 2.483 ( 0.000 24.781 17.738) 30.475 2.765 ( 0.000 36.953 -8.713) 37.967 3.177 ( 0.000 13.151 2.461) 13.379 3.312 ( 0.000 10.916 -8.047) 13.562 3.544 ( 0.000 6.738 5.978) 9.008 3.558 ( 0.000 6.064 3.698) 7.102 3.606 ( 0.000 19.160 0.089) 19.161 3.620 ( 0.000 25.792 4.421) 26.168 3.912 ( 0.000 23.410 0.670) 23.420 3.916 ( 0.000 10.545 2.998) 10.963 3.966 ( 0.000 17.835 -1.237) 17.878 3.979 ( 0.000 10.762 9.069) 14.074 4.132 ( 0.000 27.743 12.443) 30.406 4.482 ( 0.000 17.641 4.396) 18.180 4.505 ( 0.000 16.757 3.954) 17.217 4.609 ( 0.000 25.426 1.313) 25.460 4.631 ( 0.000 15.425 -3.251) 15.764 4.894 ( 0.000 18.651 -36.217) 40.738 4.968 ( 0.000 10.118 8.851) 13.443 5.097 ( 0.000 13.624 -14.341) 19.781 5.438 ( 0.000 23.490 11.089) 25.975 5.636 ( 0.000 15.679 -0.595) 15.690 5.681 ( 0.000 28.743 -12.337) 31.279 5.787 ( 0.000 10.482 -12.680) 16.452 6.180 ( 0.000 21.224 9.234) 23.145 6.375 ( 0.000 13.515 -10.917) 17.374 6.585 ( 0.000 8.392 7.945) 11.556 6.762 ( 0.000 13.455 -10.307) 16.949 7.459 ( 0.000 -5.485 8.709) 10.292 7.591 ( 0.000 -2.397 -5.134) 5.666 8.223 ( 0.000 -5.595 8.726) 10.365 8.275 ( 0.000 -2.686 1.326) 2.995 8.678 ( 0.000 0.019 9.248) 9.248 8.857 ( 0.000 3.050 -8.963) 9.468 9.390 ( 0.000 -0.509 4.343) 4.373 9.468 ( 0.000 8.230 -5.943) 10.152 9.537 ( 0.000 -0.954 15.138) 15.168 9.795 ( 0.000 3.105 -12.487) 12.867 9.949 ( 0.000 19.003 2.886) 19.220 10.109 ( 0.000 -2.129 -10.174) 10.394 10.803 ( 0.000 7.499 3.862) 8.435 10.926 ( 0.000 7.453 -5.668) 9.363 11.227 ( 0.000 5.741 15.300) 16.342 11.442 ( 0.000 -0.399 -5.265) 5.280 11.919 ( 0.000 -0.404 5.426) 5.441 12.091 ( 0.000 -7.053 -6.419) 9.537 12.265 ( 0.000 24.034 10.593) 26.265 12.460 ( 0.000 7.544 3.080) 8.149 12.620 ( 0.000 0.863 9.100) 9.141 12.905 ( 0.000 -5.322 -11.657) 12.814 12.921 ( 0.000 -3.110 -4.299) 5.306 12.983 ( 0.000 0.484 -13.053) 13.062 13.710 ( 0.000 2.770 17.439) 17.657 13.962 ( 0.000 -3.563 -6.087) 7.053 14.089 ( 0.000 10.646 -2.457) 10.926 14.108 ( 0.000 14.888 -6.175) 16.118 14.426 ( 0.000 -5.121 1.404) 5.310 14.434 ( 0.000 -11.509 1.088) 11.560 15.107 ( 0.000 5.050 3.552) 6.174 15.171 ( 0.000 4.991 -3.981) 6.385 15.631 ( 0.000 0.920 6.640) 6.704 15.767 ( 0.000 4.201 -7.830) 8.886 16.139 ( 0.000 1.929 -0.890) 2.125 16.158 ( 0.000 3.135 -1.954) 3.694 16.672 ( 0.000 -8.463 0.704) 8.492 16.690 ( 0.000 -6.730 -0.535) 6.751 17.477 ( 0.000 -9.198 11.983) 15.106 17.653 ( 0.000 -7.208 -7.328) 10.279 18.089 ( 0.000 0.595 1.783) 1.879 18.127 ( 0.000 1.179 -2.936) 3.164 18.414 ( 0.000 26.128 3.670) 26.385 18.566 ( 0.000 29.199 -13.788) 32.291 19.782 ( 0.000 -2.771 11.901) 12.220 19.982 ( 0.000 -1.227 -8.784) 8.869 20.277 ( 0.000 -6.313 -0.019) 6.313 20.295 ( 0.000 -11.695 -2.875) 12.043 21.052 ( 0.000 -8.832 7.121) 11.345 21.092 ( 0.000 -11.065 3.264) 11.536 21.234 ( 0.000 -14.989 -1.905) 15.110 21.262 ( 0.000 -12.434 -4.386) 13.185 22.577 ( 0.000 -9.364 13.777) 16.659 22.791 ( 0.000 -10.179 -9.304) 13.791 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -5.904 17.271 9.264) 20.469 1.996 ( -6.804 10.591 -4.744) 13.453 2.552 ( 7.865 24.289 24.690) 35.516 2.860 ( 2.922 23.896 2.357) 24.189 3.029 ( -4.346 17.303 -7.625) 19.402 3.168 ( -14.838 8.082 -11.893) 20.662 3.481 ( -2.984 13.662 5.669) 15.089 3.559 ( 0.597 20.676 2.843) 20.879 3.599 ( -1.460 10.441 -0.075) 10.543 3.650 ( -1.615 8.953 -3.637) 9.798 3.905 ( -2.635 26.580 3.788) 26.977 3.928 ( 3.074 19.429 3.217) 19.932 4.068 ( 5.604 19.776 1.725) 20.627 4.110 ( 6.242 15.716 -3.943) 17.364 4.241 ( 12.990 19.364 26.551) 35.337 4.362 ( -6.272 14.150 4.192) 16.035 4.412 ( -1.715 21.842 2.444) 22.045 4.667 ( -1.739 14.688 2.968) 15.086 4.709 ( 4.721 13.385 -1.273) 14.251 4.979 ( 5.172 20.370 7.892) 22.449 5.060 ( 7.695 11.798 -42.128) 44.421 5.088 ( 4.234 22.170 -1.476) 22.618 5.444 ( 1.722 21.687 7.012) 22.857 5.566 ( -6.245 21.327 1.517) 22.274 5.653 ( -1.813 22.232 -13.089) 25.863 5.698 ( -6.961 15.518 -11.310) 20.425 6.105 ( -7.984 25.481 10.191) 28.581 6.368 ( -1.363 15.184 -17.020) 22.849 6.719 ( 7.947 5.946 7.642) 12.526 6.843 ( 4.838 8.873 -5.299) 11.411 7.402 ( -2.604 -5.057 5.672) 8.033 7.519 ( -5.634 -2.975 -6.900) 9.392 8.162 ( -1.600 -2.361 10.091) 10.486 8.261 ( 0.208 -2.858 1.149) 3.087 8.845 ( 12.046 -1.689 6.509) 13.796 8.984 ( 9.497 0.243 -7.130) 11.878 9.378 ( -0.485 -0.541 7.157) 7.194 9.452 ( -3.305 2.288 7.805) 8.779 9.542 ( 1.358 -1.591 1.037) 2.335 9.775 ( -2.151 1.618 -13.389) 13.657 9.974 ( 2.665 23.249 1.499) 23.450 10.079 ( -1.704 3.892 -7.436) 8.564 10.692 ( -9.568 4.776 3.815) 11.354 10.804 ( -11.047 6.380 -5.075) 13.730 11.289 ( 5.040 7.762 9.987) 13.616 11.447 ( 0.402 0.768 -4.898) 4.974 11.925 ( 1.116 -2.123 7.848) 8.206 12.076 ( -1.089 -4.539 -1.543) 4.917 12.309 ( 3.421 19.786 8.029) 21.625 12.499 ( 2.125 11.581 -1.611) 11.884 12.561 ( -3.697 -7.023 12.337) 14.670 12.788 ( -6.835 -2.379 -6.882) 9.987 12.937 ( -1.126 0.085 -6.019) 6.124 12.997 ( -0.195 1.290 -13.114) 13.179 13.585 ( -7.450 7.780 12.975) 16.864 13.823 ( -10.614 6.049 -10.931) 16.393 14.114 ( 4.411 5.315 4.053) 8.008 14.190 ( 1.948 -0.365 -2.853) 3.473 14.492 ( 6.890 -7.107 2.629) 10.241 14.542 ( 6.815 -2.506 -2.609) 7.716 15.115 ( 1.311 4.248 5.138) 6.795 15.204 ( 2.374 4.611 -4.233) 6.695 15.542 ( -6.483 -0.852 4.266) 7.807 15.623 ( -9.481 1.773 -4.846) 10.794 16.267 ( 10.820 4.160 3.585) 12.134 16.342 ( 11.420 1.300 -5.041) 12.551 16.650 ( -1.334 -7.277 1.201) 7.495 16.691 ( -0.424 -6.396 -2.382) 6.839 17.488 ( 1.327 -7.680 9.491) 12.281 17.638 ( -1.132 -5.637 -6.997) 9.057 17.979 ( -7.727 1.649 1.190) 7.990 18.025 ( -8.466 0.670 -3.769) 9.291 18.511 ( 7.838 26.026 5.351) 27.702 18.665 ( 6.750 26.833 -11.493) 29.961 19.737 ( -3.981 -1.705 11.012) 11.833 19.878 ( -7.890 -1.909 -2.528) 8.502 20.303 ( 3.016 -8.223 -0.264) 8.762 20.356 ( 3.912 -10.990 -6.746) 13.476 20.896 ( -7.663 -10.835 4.083) 13.885 20.986 ( -9.989 -11.078 -4.867) 15.691 21.315 ( 7.707 -11.516 6.411) 15.268 21.398 ( 5.889 -10.438 -2.000) 12.150 22.588 ( 1.188 -9.125 10.556) 14.004 22.763 ( -2.528 -9.835 -8.046) 12.956 ======================= Grid point 162 (57/72) ======================= q-point: ( 0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 2.219 7.791 5.172) 9.611 1.885 ( -3.840 3.505 -2.385) 5.720 2.655 ( -0.130 10.559 12.717) 16.529 2.784 ( -10.749 9.639 3.336) 14.818 2.952 ( 8.428 19.428 3.550) 21.473 3.144 ( 3.186 24.879 -9.102) 26.683 3.338 ( -6.237 21.663 3.533) 22.818 3.461 ( -9.205 23.261 -6.729) 25.905 3.616 ( 6.340 12.363 7.143) 15.622 3.737 ( 3.916 23.099 -4.923) 23.940 3.797 ( -2.960 9.320 7.430) 12.281 3.933 ( -5.909 16.617 -4.902) 18.305 4.171 ( 5.829 10.618 3.536) 12.618 4.215 ( 4.782 10.780 1.158) 11.849 4.284 ( -0.614 15.568 5.769) 16.614 4.339 ( -2.093 22.422 0.613) 22.528 4.500 ( -0.232 23.642 4.507) 24.069 4.543 ( -6.537 11.210 2.344) 13.187 4.924 ( 18.201 10.203 8.923) 22.694 5.106 ( 2.281 10.540 -5.411) 12.065 5.172 ( 9.171 29.698 3.491) 31.277 5.244 ( 2.265 32.983 2.692) 33.170 5.422 ( -5.086 22.140 2.331) 22.835 5.518 ( -3.910 15.244 1.469) 15.806 5.604 ( 0.990 21.145 -7.007) 22.298 5.718 ( 10.195 19.823 -24.213) 32.912 5.805 ( -11.709 29.544 6.194) 32.378 6.180 ( -18.316 17.300 -27.487) 37.287 6.853 ( 5.751 6.378 5.812) 10.370 6.913 ( 0.997 6.801 0.121) 6.875 7.397 ( 1.219 -6.809 -0.666) 6.949 7.436 ( -2.316 -5.942 -4.578) 7.851 8.212 ( 4.573 -0.633 9.114) 10.216 8.270 ( -0.442 -0.921 3.921) 4.052 9.069 ( 8.330 -3.484 4.117) 9.923 9.146 ( 3.296 -3.697 -3.006) 5.794 9.364 ( -2.125 -1.649 13.349) 13.617 9.379 ( -0.354 -2.083 7.147) 7.453 9.580 ( 2.574 -4.550 -8.160) 9.691 9.682 ( -6.419 -4.587 -13.275) 15.443 10.064 ( 5.477 30.098 1.787) 30.644 10.102 ( 3.067 25.716 -2.735) 26.043 10.481 ( -7.518 -3.206 1.043) 8.239 10.542 ( -11.683 -0.134 -4.728) 12.604 11.392 ( 4.163 7.363 2.235) 8.749 11.445 ( -1.018 4.034 -2.931) 5.090 11.977 ( 3.684 -2.839 10.968) 11.914 12.046 ( -2.282 -2.009 6.947) 7.583 12.366 ( 2.149 10.054 5.018) 11.440 12.434 ( -4.510 4.188 -1.221) 6.274 12.601 ( 3.983 -2.805 4.701) 6.770 12.675 ( -3.637 -1.047 -2.347) 4.454 12.909 ( -0.454 5.355 -3.618) 6.479 12.949 ( -3.608 6.324 -6.665) 9.871 13.516 ( 1.424 10.208 0.811) 10.338 13.622 ( -8.043 10.093 -8.443) 15.422 14.184 ( 2.164 -1.527 3.361) 4.279 14.206 ( -0.098 -3.354 1.426) 3.646 14.627 ( 4.475 -2.841 0.003) 5.301 14.648 ( 2.520 -0.948 -2.124) 3.430 15.171 ( 3.998 1.968 5.537) 7.108 15.236 ( -0.475 1.970 -0.150) 2.032 15.426 ( -2.929 -1.129 0.530) 3.184 15.463 ( -5.411 -0.284 -2.928) 6.159 16.477 ( 7.501 3.436 3.441) 8.940 16.515 ( 4.040 0.681 -0.877) 4.189 16.633 ( 0.122 -6.651 -0.697) 6.688 16.666 ( -2.028 -5.444 -3.193) 6.629 17.547 ( 4.233 -1.984 2.249) 5.188 17.616 ( -1.485 -0.225 -5.327) 5.534 17.836 ( -4.567 -3.574 0.544) 5.825 17.856 ( -6.164 -3.532 -1.675) 7.299 18.679 ( 7.192 27.057 3.700) 28.240 18.756 ( 0.616 27.407 -4.419) 27.768 19.666 ( -1.093 -1.497 7.492) 7.718 19.724 ( -6.055 -2.336 2.050) 6.806 20.382 ( 3.786 -10.709 -3.071) 11.767 20.416 ( 1.081 -11.885 -7.062) 13.867 20.780 ( -2.940 -9.371 0.183) 9.823 20.808 ( -5.866 -9.905 -2.487) 11.778 21.441 ( 3.999 -9.250 5.203) 11.341 21.472 ( 1.052 -9.007 2.140) 9.317 22.629 ( 2.775 -8.925 3.138) 9.859 22.697 ( -3.532 -9.220 -3.905) 10.618 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 13.856 4.977) 14.723 2.326 ( 0.000 10.287 0.997) 10.335 2.921 ( 0.000 18.703 27.439) 33.207 3.351 ( 0.000 16.281 0.488) 16.289 3.419 ( 0.000 13.305 -17.574) 22.043 3.465 ( 0.000 5.957 -4.294) 7.344 3.594 ( 0.000 0.349 5.495) 5.506 3.638 ( 0.000 3.632 -2.160) 4.226 3.938 ( 0.000 13.706 -0.021) 13.706 3.968 ( 0.000 7.614 -3.629) 8.435 4.095 ( 0.000 9.631 0.604) 9.650 4.214 ( 0.000 11.552 -8.260) 14.201 4.420 ( 0.000 22.744 2.604) 22.892 4.453 ( 0.000 21.779 1.031) 21.804 4.667 ( 0.000 8.871 6.927) 11.255 4.751 ( 0.000 12.569 -2.233) 12.766 4.844 ( 0.000 34.418 13.965) 37.143 5.068 ( 0.000 21.136 -4.886) 21.693 5.079 ( 0.000 4.459 13.607) 14.319 5.290 ( 0.000 9.134 -7.794) 12.007 5.291 ( 0.000 35.961 0.073) 35.961 5.416 ( 0.000 26.140 -19.346) 32.521 5.859 ( 0.000 17.898 2.007) 18.010 5.961 ( 0.000 19.269 -9.214) 21.359 6.290 ( 0.000 33.941 6.828) 34.621 6.434 ( 0.000 38.158 -7.252) 38.841 6.589 ( 0.000 12.926 7.016) 14.707 6.731 ( 0.000 17.786 -8.808) 19.847 6.861 ( 0.000 19.596 12.217) 23.092 7.122 ( 0.000 19.930 -15.522) 25.261 7.447 ( 0.000 9.199 7.913) 12.134 7.582 ( 0.000 5.277 -5.428) 7.570 8.121 ( 0.000 -2.973 9.168) 9.638 8.229 ( 0.000 -1.136 -2.740) 2.966 8.724 ( 0.000 4.246 14.033) 14.662 8.962 ( 0.000 6.426 -10.898) 12.651 9.283 ( 0.000 -9.363 5.540) 10.879 9.390 ( 0.000 -11.321 -5.595) 12.628 9.441 ( 0.000 -3.703 12.806) 13.330 9.672 ( 0.000 -10.953 -11.488) 15.873 10.305 ( 0.000 16.489 -0.470) 16.495 10.347 ( 0.000 17.040 -5.995) 18.064 10.959 ( 0.000 9.754 3.433) 10.340 11.058 ( 0.000 7.341 -4.599) 8.663 11.415 ( 0.000 11.410 7.183) 13.483 11.442 ( 0.000 -1.004 3.674) 3.809 11.909 ( 0.000 -1.897 -0.499) 1.962 12.036 ( 0.000 2.046 -11.486) 11.667 12.341 ( 0.000 -8.931 23.765) 25.388 12.774 ( 0.000 -6.550 -19.360) 20.438 12.812 ( 0.000 24.848 10.878) 27.125 12.855 ( 0.000 3.151 8.159) 8.747 13.021 ( 0.000 19.556 -9.937) 21.936 13.044 ( 0.000 4.856 -12.918) 13.801 13.685 ( 0.000 -4.022 9.172) 10.015 13.815 ( 0.000 -9.264 -4.359) 10.239 14.165 ( 0.000 5.813 5.945) 8.314 14.289 ( 0.000 9.442 -7.410) 12.002 14.591 ( 0.000 16.058 3.398) 16.414 14.637 ( 0.000 16.538 -1.407) 16.597 15.204 ( 0.000 4.288 5.916) 7.307 15.263 ( 0.000 4.011 -1.592) 4.315 15.621 ( 0.000 -1.786 5.359) 5.649 15.772 ( 0.000 -2.980 -11.760) 12.132 16.228 ( 0.000 3.247 -0.359) 3.267 16.242 ( 0.000 3.146 -2.170) 3.822 16.494 ( 0.000 -6.499 3.463) 7.363 16.546 ( 0.000 -5.613 -1.560) 5.826 17.315 ( 0.000 -6.633 13.062) 14.649 17.523 ( 0.000 -5.755 -9.310) 10.945 18.034 ( 0.000 -5.215 1.853) 5.534 18.069 ( 0.000 -5.243 -1.941) 5.591 18.837 ( 0.000 13.661 6.078) 14.953 18.986 ( 0.000 12.216 -9.481) 15.463 19.632 ( 0.000 -11.280 11.115) 15.836 19.850 ( 0.000 -12.480 -12.044) 17.344 20.123 ( 0.000 -3.326 1.876) 3.819 20.188 ( 0.000 -2.130 -5.034) 5.466 20.822 ( 0.000 -14.655 4.071) 15.210 20.881 ( 0.000 -12.000 -0.036) 12.000 20.948 ( 0.000 -7.884 7.097) 10.608 21.108 ( 0.000 -3.003 -7.962) 8.510 22.379 ( 0.000 -9.735 12.107) 15.536 22.571 ( 0.000 -10.997 -8.409) 13.843 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -7.697 14.644 4.128) 17.050 2.226 ( -8.618 11.176 0.322) 14.116 2.957 ( 0.652 16.180 23.336) 28.404 3.209 ( -5.984 15.471 8.244) 18.524 3.295 ( -11.709 7.239 -10.432) 17.272 3.477 ( 4.295 16.629 -15.360) 23.041 3.601 ( 1.118 3.844 2.101) 4.521 3.658 ( -1.395 0.977 -2.168) 2.758 3.871 ( 0.051 11.829 2.172) 12.027 3.935 ( -0.102 10.598 -3.126) 11.050 4.237 ( 3.790 10.627 0.963) 11.323 4.328 ( 5.657 9.459 -5.750) 12.431 4.412 ( -8.298 12.993 9.096) 17.900 4.506 ( 1.016 25.289 1.913) 25.382 4.594 ( 3.733 10.383 2.319) 11.275 4.654 ( -2.242 19.946 -1.459) 20.125 4.924 ( 4.248 21.937 4.842) 22.863 4.968 ( -3.009 9.656 2.707) 10.470 5.136 ( -4.254 26.151 4.393) 26.856 5.323 ( 5.692 11.872 -9.660) 16.330 5.408 ( 7.727 28.729 0.015) 29.750 5.541 ( 13.037 21.718 -8.601) 26.751 5.840 ( -0.234 19.153 2.850) 19.366 5.975 ( 1.890 21.784 -10.060) 24.069 6.266 ( -1.387 35.791 2.893) 35.934 6.325 ( -6.963 31.128 -1.108) 31.916 6.665 ( 1.456 25.318 2.645) 25.497 6.762 ( 1.104 21.853 -6.197) 22.741 6.945 ( 6.378 16.319 5.132) 18.258 7.093 ( -2.756 13.668 -8.067) 16.109 7.397 ( -3.512 8.855 4.549) 10.557 7.510 ( -6.338 7.038 -5.944) 11.182 8.118 ( 1.411 -1.058 9.998) 10.152 8.229 ( 1.273 -0.027 -0.892) 1.555 8.832 ( 8.328 0.631 9.444) 12.607 9.016 ( 4.218 2.629 -9.106) 10.374 9.254 ( -1.867 -9.795 8.263) 12.950 9.365 ( -4.829 -5.423 9.846) 12.234 9.422 ( 0.481 -9.280 -4.611) 10.374 9.620 ( -4.689 -10.863 -12.139) 16.952 10.314 ( 1.173 14.481 0.521) 14.538 10.370 ( 1.973 14.024 -6.224) 15.470 10.890 ( -5.511 15.763 5.283) 17.515 11.005 ( -5.305 13.862 -4.725) 15.576 11.416 ( 0.679 -2.548 5.883) 6.447 11.495 ( 2.871 7.868 -2.827) 8.840 11.893 ( 1.174 -0.130 6.524) 6.630 12.080 ( 3.549 3.789 -11.512) 12.628 12.361 ( 0.570 -8.013 20.652) 22.160 12.685 ( -8.640 3.479 -1.566) 9.445 12.760 ( -2.553 5.395 -3.715) 7.031 12.836 ( -4.013 15.452 0.591) 15.976 12.999 ( 2.714 9.888 -4.052) 11.025 13.101 ( 1.288 8.051 -10.832) 13.558 13.650 ( -1.813 -1.264 8.465) 8.748 13.803 ( -1.724 -6.277 -6.891) 9.479 14.175 ( 0.890 6.386 4.839) 8.061 14.255 ( -2.388 9.079 -3.730) 10.102 14.626 ( 3.675 12.966 3.633) 13.958 14.690 ( 3.346 12.075 -2.796) 12.838 15.223 ( 2.133 6.009 7.779) 10.058 15.301 ( 2.390 4.606 -0.440) 5.208 15.519 ( -7.439 -1.326 3.289) 8.241 15.652 ( -8.656 1.511 -11.230) 14.259 16.339 ( 7.528 -2.137 -0.379) 7.835 16.343 ( 7.232 -2.126 -0.796) 7.580 16.502 ( 1.012 -3.595 4.081) 5.532 16.572 ( 2.046 -3.388 -2.396) 4.627 17.335 ( 2.649 -7.072 10.379) 12.835 17.513 ( -0.232 -6.351 -8.562) 10.663 17.931 ( -8.716 -5.308 1.516) 10.317 17.967 ( -8.961 -5.375 -2.293) 10.698 18.932 ( 8.154 14.078 6.340) 17.461 19.073 ( 7.082 12.713 -8.474) 16.840 19.623 ( -0.983 -8.937 9.971) 13.426 19.791 ( -5.652 -7.595 -6.834) 11.676 20.109 ( -0.522 -7.778 1.498) 7.938 20.190 ( -0.113 -5.904 -7.079) 9.219 20.672 ( -6.857 -11.234 4.039) 13.767 20.746 ( -9.089 -12.494 -3.680) 15.882 21.124 ( 10.102 -6.322 6.678) 13.661 21.230 ( 6.986 -5.043 -4.515) 9.728 22.392 ( 1.237 -9.841 9.486) 13.724 22.548 ( -2.055 -10.807 -7.173) 13.133 ======================= Grid point 167 (60/72) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -4.403 13.185 2.114) 14.060 2.051 ( -6.070 11.990 0.244) 13.441 2.904 ( -1.407 13.901 6.565) 15.437 2.994 ( -10.030 11.595 -3.045) 15.631 3.356 ( 11.195 19.040 14.170) 26.242 3.563 ( -4.311 13.261 3.205) 14.308 3.596 ( 3.167 3.401 -3.804) 6.006 3.666 ( 1.133 6.673 -6.448) 9.348 3.910 ( 0.761 12.497 -1.716) 12.637 3.933 ( 4.318 10.406 -1.615) 11.381 4.107 ( -9.317 7.177 5.752) 13.092 4.218 ( -10.113 5.984 -2.407) 11.994 4.445 ( 3.771 18.920 1.487) 19.350 4.501 ( 1.769 19.213 -1.226) 19.334 4.691 ( 6.436 18.739 6.070) 20.722 4.761 ( 5.361 13.580 -2.532) 14.818 4.862 ( -7.405 17.732 5.053) 19.869 4.886 ( -4.776 13.591 0.137) 14.406 5.186 ( 5.295 16.544 -3.141) 17.653 5.280 ( -4.066 13.771 -11.840) 18.611 5.721 ( 13.783 20.486 5.062) 25.204 5.780 ( 6.794 16.371 0.534) 17.733 5.920 ( 8.547 25.788 3.591) 27.404 6.014 ( 0.509 29.922 -1.575) 29.968 6.207 ( -2.714 32.534 3.496) 32.834 6.289 ( 1.345 32.870 -8.588) 34.000 6.496 ( -9.785 36.832 3.244) 38.248 6.654 ( -12.379 28.059 -12.341) 33.058 7.114 ( 8.166 18.571 -1.391) 20.335 7.122 ( 5.846 9.609 -2.155) 11.452 7.316 ( -4.078 1.022 1.021) 4.326 7.362 ( -7.337 7.285 -3.650) 10.965 8.204 ( 5.398 0.187 9.491) 10.920 8.264 ( 0.384 0.455 3.958) 4.003 8.997 ( 6.562 -3.148 3.608) 8.123 9.076 ( -0.107 -3.158 -2.974) 4.339 9.227 ( -0.304 -8.252 9.328) 12.458 9.265 ( -3.125 -6.565 9.725) 12.143 9.435 ( 1.160 -9.376 -9.720) 13.555 9.504 ( -5.447 -9.770 -12.002) 16.406 10.363 ( 3.287 7.983 0.694) 8.661 10.405 ( 0.320 5.391 -3.942) 6.686 10.795 ( -1.713 28.775 3.132) 28.995 10.862 ( -6.977 26.238 -2.849) 27.299 11.451 ( 2.606 -4.696 0.832) 5.434 11.504 ( -1.774 0.590 -5.297) 5.617 12.009 ( 8.863 6.752 11.187) 15.789 12.146 ( -0.346 10.891 -0.566) 10.911 12.335 ( -0.009 -7.734 5.963) 9.766 12.471 ( -10.489 -0.955 -4.207) 11.342 12.729 ( 0.918 7.954 3.359) 8.683 12.775 ( -2.567 9.501 -0.726) 9.868 13.058 ( 2.307 9.140 -2.486) 9.748 13.095 ( -1.315 6.667 -5.073) 8.480 13.658 ( 2.712 2.187 0.602) 3.535 13.738 ( -4.180 -0.003 -6.644) 7.850 14.197 ( 1.058 6.098 3.587) 7.153 14.218 ( -1.166 6.990 1.240) 7.194 14.711 ( 3.479 7.750 1.507) 8.628 14.739 ( 0.869 7.369 -1.281) 7.530 15.270 ( 1.864 6.649 8.313) 10.807 15.315 ( -1.993 5.091 6.536) 8.521 15.420 ( 0.269 1.121 -4.496) 4.641 15.495 ( -5.814 4.903 -9.674) 12.306 16.440 ( 2.804 -8.776 0.645) 9.235 16.457 ( 1.641 -9.698 -1.070) 9.894 16.552 ( 3.709 2.501 3.785) 5.860 16.599 ( -0.247 -0.614 -0.600) 0.894 17.453 ( 8.512 -6.379 3.771) 11.286 17.544 ( 2.844 -5.707 -5.714) 8.562 17.725 ( -9.414 -7.199 0.975) 11.891 17.756 ( -9.665 -6.397 -2.309) 11.818 19.120 ( 8.496 15.743 4.297) 18.399 19.198 ( 2.477 15.582 -3.779) 16.224 19.595 ( -0.770 -5.329 6.395) 8.360 19.651 ( -6.131 -4.607 1.280) 7.775 20.123 ( 1.837 -13.528 -2.849) 13.946 20.169 ( -2.013 -12.149 -7.517) 14.428 20.582 ( -1.840 -9.981 0.914) 10.190 20.602 ( -4.069 -10.280 -1.073) 11.108 21.287 ( 5.112 -4.986 3.708) 8.046 21.324 ( 1.559 -4.625 -0.121) 4.883 22.432 ( 2.597 -10.111 3.126) 10.897 22.493 ( -3.076 -10.441 -3.260) 11.362 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 0.000 6.249 3.891) 7.362 2.510 ( 0.000 9.604 1.229) 9.683 3.257 ( 0.000 13.976 20.929) 25.167 3.468 ( 0.000 -3.300 5.460) 6.379 3.573 ( 0.000 6.531 -1.293) 6.658 3.599 ( 0.000 7.964 -6.091) 10.026 3.683 ( 0.000 0.045 -5.366) 5.367 3.726 ( 0.000 8.962 -16.207) 18.520 4.097 ( 0.000 6.843 1.395) 6.984 4.168 ( 0.000 8.195 -6.797) 10.647 4.360 ( 0.000 15.982 5.826) 17.010 4.460 ( 0.000 12.471 -2.411) 12.702 4.628 ( 0.000 4.259 1.418) 4.489 4.635 ( 0.000 2.861 -2.076) 3.535 5.047 ( 0.000 18.043 0.521) 18.051 5.096 ( 0.000 15.704 1.155) 15.746 5.124 ( 0.000 2.911 10.238) 10.644 5.355 ( 0.000 6.203 -5.121) 8.044 5.378 ( 0.000 16.634 0.149) 16.635 5.401 ( 0.000 6.277 -5.293) 8.211 5.995 ( 0.000 27.121 -0.890) 27.135 6.011 ( 0.000 25.757 0.183) 25.757 6.239 ( 0.000 18.915 5.698) 19.754 6.388 ( 0.000 16.236 -8.154) 18.168 6.673 ( 0.000 8.931 8.620) 12.413 6.815 ( 0.000 5.313 -7.053) 8.830 6.964 ( 0.000 24.777 10.095) 26.755 7.197 ( 0.000 21.416 -14.005) 25.589 7.350 ( 0.000 26.899 10.217) 28.774 7.555 ( 0.000 24.691 -11.644) 27.299 7.823 ( 0.000 12.677 10.644) 16.553 7.875 ( 0.000 27.450 3.613) 27.686 8.271 ( 0.000 22.209 -5.571) 22.897 8.283 ( 0.000 7.989 -5.165) 9.513 8.820 ( 0.000 4.397 14.609) 15.256 9.039 ( 0.000 -12.496 2.502) 12.744 9.057 ( 0.000 0.487 -10.726) 10.737 9.089 ( 0.000 -15.138 -3.048) 15.442 9.472 ( 0.000 7.394 5.273) 9.082 9.545 ( 0.000 1.435 -2.325) 2.732 10.675 ( 0.000 18.510 -1.114) 18.543 10.684 ( 0.000 16.753 -2.725) 16.973 11.193 ( 0.000 8.540 1.773) 8.722 11.251 ( 0.000 10.273 -4.215) 11.104 11.447 ( 0.000 7.426 5.774) 9.407 11.587 ( 0.000 5.137 -6.689) 8.434 11.918 ( 0.000 4.140 7.641) 8.690 12.120 ( 0.000 3.900 -12.197) 12.806 12.187 ( 0.000 -6.036 24.567) 25.298 12.636 ( 0.000 -6.274 -20.929) 21.849 12.901 ( 0.000 2.148 13.018) 13.194 13.146 ( 0.000 5.087 -12.677) 13.660 13.202 ( 0.000 11.805 8.103) 14.319 13.340 ( 0.000 8.968 -4.965) 10.251 13.596 ( 0.000 -2.916 4.106) 5.037 13.649 ( 0.000 -5.286 -1.838) 5.596 14.441 ( 0.000 19.114 4.312) 19.594 14.567 ( 0.000 16.367 -8.497) 18.441 14.889 ( 0.000 12.131 4.770) 13.035 14.932 ( 0.000 11.437 0.108) 11.438 15.276 ( 0.000 2.594 5.805) 6.358 15.335 ( 0.000 2.966 -1.064) 3.152 15.562 ( 0.000 -3.931 3.470) 5.243 15.685 ( 0.000 -4.937 -9.776) 10.952 16.115 ( 0.000 -11.012 2.449) 11.281 16.179 ( 0.000 -8.349 -4.135) 9.317 16.519 ( 0.000 5.321 2.488) 5.874 16.556 ( 0.000 5.319 -1.352) 5.488 17.210 ( 0.000 -3.522 11.894) 12.404 17.413 ( 0.000 -4.931 -9.631) 10.820 17.891 ( 0.000 -8.478 1.714) 8.650 17.927 ( 0.000 -8.596 -2.006) 8.827 18.949 ( 0.000 -3.185 6.426) 7.172 19.065 ( 0.000 -4.985 -5.559) 7.467 19.402 ( 0.000 -8.666 9.039) 12.522 19.594 ( 0.000 -9.446 -11.278) 14.711 20.106 ( 0.000 0.630 3.091) 3.154 20.180 ( 0.000 1.119 -5.139) 5.259 20.515 ( 0.000 -14.859 2.460) 15.062 20.562 ( 0.000 -16.241 -2.370) 16.413 20.934 ( 0.000 3.536 10.249) 10.842 21.118 ( 0.000 3.418 -9.711) 10.295 22.189 ( 0.000 -8.728 10.398) 13.576 22.356 ( 0.000 -9.881 -7.406) 12.349 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.20 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -6.028 8.577 4.329) 11.342 2.453 ( -5.287 11.275 0.577) 12.466 3.239 ( -2.054 11.567 11.059) 16.134 3.395 ( -7.967 3.819 -4.795) 10.052 3.556 ( 3.898 14.630 7.986) 17.117 3.569 ( -1.879 2.256 0.332) 2.955 3.647 ( -2.908 -1.353 -5.028) 5.964 3.812 ( 7.506 9.646 -14.595) 19.037 4.073 ( 1.396 7.367 5.925) 9.557 4.156 ( -3.464 12.943 -1.006) 13.436 4.461 ( -4.111 8.275 2.563) 9.589 4.494 ( -2.931 10.546 -1.821) 11.097 4.546 ( 9.572 5.436 -1.806) 11.155 4.673 ( -1.339 1.822 -5.908) 6.326 4.967 ( -3.402 11.050 12.463) 17.000 5.034 ( -2.725 13.437 2.308) 13.904 5.181 ( 4.055 15.441 -1.734) 16.058 5.236 ( -5.379 8.956 -6.639) 12.378 5.479 ( 2.497 8.030 1.241) 8.500 5.525 ( 6.020 8.427 -3.012) 10.786 5.992 ( -0.380 21.029 1.351) 21.076 6.003 ( 2.828 22.679 -1.113) 22.882 6.290 ( 4.725 20.418 3.655) 21.274 6.428 ( 3.033 13.782 -8.766) 16.613 6.646 ( -0.907 12.823 7.840) 15.057 6.805 ( 0.162 14.638 -9.165) 17.271 7.087 ( 9.965 20.522 11.165) 25.399 7.283 ( 3.648 24.141 -6.881) 25.366 7.343 ( -0.700 22.021 5.284) 22.657 7.506 ( -2.793 27.737 -8.875) 29.256 7.773 ( -5.493 19.462 9.087) 22.171 7.862 ( -1.145 23.437 -0.179) 23.466 8.247 ( -1.066 18.215 -1.509) 18.309 8.294 ( 1.303 8.625 -4.140) 9.655 8.868 ( 3.943 2.628 10.678) 11.683 9.024 ( -0.500 -9.785 5.043) 11.020 9.061 ( 0.354 -0.526 -8.827) 8.849 9.129 ( 2.668 -13.897 -5.574) 15.209 9.396 ( -6.281 5.760 6.317) 10.609 9.498 ( -4.423 1.533 -4.338) 6.382 10.657 ( -1.341 18.970 -0.366) 19.021 10.676 ( -0.928 17.255 -2.759) 17.499 11.199 ( 0.791 9.790 2.077) 10.039 11.249 ( 1.071 0.730 -1.457) 1.950 11.423 ( -1.896 14.412 5.683) 15.608 11.608 ( -1.037 6.023 -12.517) 13.930 11.981 ( 6.572 7.229 9.297) 13.486 12.123 ( 2.106 -1.531 2.638) 3.707 12.272 ( 5.810 -0.398 8.582) 10.371 12.608 ( -2.341 -4.541 -16.816) 17.575 12.870 ( -3.292 3.829 13.143) 14.080 13.088 ( -6.052 8.092 -6.390) 11.956 13.193 ( -0.560 6.956 0.339) 6.987 13.274 ( -4.573 5.838 -4.550) 8.700 13.587 ( 0.301 -2.602 3.832) 4.641 13.665 ( 0.596 -5.340 -3.787) 6.574 14.445 ( 0.383 18.149 4.743) 18.763 14.541 ( -2.087 17.051 -5.072) 17.911 14.856 ( -1.561 8.405 3.642) 9.292 14.915 ( -2.281 8.500 -2.176) 9.065 15.335 ( 3.616 3.863 5.453) 7.599 15.395 ( 5.341 4.453 0.143) 6.956 15.492 ( -5.084 -0.578 5.914) 7.821 15.688 ( 0.351 1.545 -12.967) 13.064 16.155 ( 3.040 -11.762 2.393) 12.382 16.209 ( 2.420 -9.489 -3.197) 10.302 16.529 ( 1.241 2.736 4.893) 5.742 16.596 ( 1.815 3.873 -2.125) 4.776 17.201 ( 0.643 -6.102 9.757) 11.525 17.379 ( -1.970 -6.760 -8.922) 11.366 17.782 ( -9.512 -9.022 1.663) 13.215 17.819 ( -9.372 -8.929 -2.303) 13.147 19.061 ( 9.787 -2.245 6.315) 11.861 19.172 ( 9.182 -3.918 -5.248) 11.278 19.448 ( 3.712 -5.610 7.963) 10.424 19.614 ( 0.989 -6.150 -9.560) 11.410 20.025 ( -7.939 -1.986 2.450) 8.542 20.086 ( -7.418 -5.135 -4.018) 9.876 20.444 ( -4.129 -10.093 2.542) 11.197 20.485 ( -5.345 -12.270 -1.674) 13.488 21.075 ( 9.923 1.315 6.599) 11.990 21.203 ( 6.084 1.930 -7.033) 9.498 22.197 ( 0.835 -9.055 8.380) 12.365 22.335 ( -1.898 -9.885 -6.321) 11.885 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.40 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -3.146 13.321 2.769) 13.965 2.331 ( -4.837 14.184 0.436) 14.992 3.197 ( -0.753 13.943 1.147) 14.010 3.242 ( -5.256 11.765 -3.760) 13.424 3.556 ( 1.173 -1.902 0.837) 2.387 3.592 ( -2.088 -2.524 -2.942) 4.403 3.752 ( 12.554 15.717 11.340) 23.092 3.948 ( -0.268 12.658 -5.997) 14.009 4.105 ( 0.010 9.741 2.614) 10.086 4.131 ( 6.842 7.561 -1.387) 10.291 4.213 ( -11.422 6.118 8.600) 15.552 4.363 ( -11.743 8.151 -6.441) 15.679 4.683 ( 5.715 6.106 2.465) 8.719 4.806 ( 4.753 10.746 -4.043) 12.426 4.868 ( 0.587 2.515 2.332) 3.480 5.039 ( -4.313 9.979 -7.154) 13.014 5.160 ( 1.423 13.243 5.255) 14.319 5.223 ( -1.217 17.120 3.141) 17.448 5.486 ( 1.067 8.509 -2.088) 8.826 5.547 ( -3.169 9.319 -6.570) 11.834 6.052 ( 4.912 15.349 4.225) 16.660 6.091 ( 2.582 16.340 0.248) 16.545 6.393 ( 4.066 9.560 -0.305) 10.393 6.453 ( -1.280 5.931 -5.417) 8.134 6.717 ( 8.137 25.464 4.353) 27.084 6.837 ( 0.607 23.069 -8.526) 24.602 7.176 ( -4.034 23.786 3.692) 24.407 7.248 ( -7.841 24.735 -3.232) 26.148 7.356 ( 11.206 25.527 13.150) 30.824 7.583 ( -3.100 27.090 1.228) 27.295 7.623 ( 1.991 24.251 -3.392) 24.568 7.788 ( -6.587 24.824 -8.172) 26.952 8.274 ( 3.322 10.035 4.481) 11.481 8.320 ( -0.025 7.112 0.893) 7.167 8.952 ( 3.745 -1.286 2.597) 4.735 9.010 ( -1.537 -2.703 0.021) 3.109 9.084 ( 2.361 -5.087 1.896) 5.920 9.152 ( -2.305 -5.470 0.575) 5.964 9.299 ( 0.103 0.446 -0.588) 0.745 9.383 ( -5.935 -0.108 -6.281) 8.642 10.638 ( -0.144 18.887 -0.342) 18.891 10.651 ( -1.174 18.129 -1.764) 18.253 11.234 ( 2.902 7.438 5.776) 9.854 11.294 ( -0.262 -6.674 6.137) 9.071 11.394 ( 2.280 22.064 -4.821) 22.699 11.517 ( -6.709 9.204 -11.499) 16.185 12.149 ( 7.364 1.793 5.334) 9.268 12.193 ( 2.801 -4.129 4.150) 6.489 12.384 ( 5.219 9.494 3.234) 11.306 12.521 ( -6.825 9.505 -6.587) 13.428 12.818 ( 0.757 0.699 9.350) 9.406 12.923 ( -8.228 4.405 0.684) 9.358 13.183 ( 0.346 3.175 -4.447) 5.475 13.211 ( -1.949 3.757 -5.742) 7.133 13.618 ( 2.282 -3.824 0.084) 4.454 13.659 ( -1.285 -5.203 -3.616) 6.465 14.461 ( 1.268 17.708 3.875) 18.171 14.496 ( -2.039 17.853 0.243) 17.971 14.843 ( 0.241 3.999 1.068) 4.146 14.865 ( -1.941 3.946 -1.054) 4.522 15.359 ( 0.092 2.260 4.480) 5.018 15.388 ( -3.200 0.893 3.417) 4.766 15.562 ( 7.866 12.371 -0.101) 14.661 15.676 ( -2.573 11.267 -10.222) 15.429 16.222 ( 2.895 -11.469 1.410) 11.912 16.247 ( 0.664 -10.683 -1.275) 10.779 16.551 ( 0.843 -2.639 4.377) 5.181 16.586 ( -2.263 -1.505 0.747) 2.819 17.299 ( 8.859 -8.564 4.249) 13.034 17.399 ( 4.334 -8.341 -6.041) 11.173 17.549 ( -11.474 -9.888 1.740) 15.247 17.595 ( -10.866 -9.268 -3.101) 14.614 19.307 ( 12.971 0.593 4.787) 13.839 19.382 ( 9.366 0.140 -2.954) 9.822 19.501 ( -0.334 -0.903 3.847) 3.965 19.558 ( -8.156 -1.701 -1.499) 8.465 19.877 ( -2.812 -9.573 -0.255) 9.981 19.928 ( -6.589 -11.155 -5.081) 13.916 20.386 ( -1.221 -8.592 1.331) 8.780 20.400 ( -2.515 -8.786 -0.094) 9.139 21.249 ( 5.809 1.048 2.497) 6.409 21.294 ( 1.570 1.351 -2.177) 3.005 22.228 ( 2.201 -9.673 2.994) 10.362 22.283 ( -2.881 -9.904 -2.806) 10.690 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 0.000 3.316 5.073) 6.061 2.661 ( 0.000 5.167 -2.921) 5.935 3.354 ( 0.000 -6.350 10.081) 11.914 3.456 ( 0.000 3.490 3.018) 4.614 3.664 ( 0.000 0.968 1.192) 1.536 3.733 ( 0.000 8.853 -2.210) 9.125 3.805 ( 0.000 11.830 -5.785) 13.168 3.873 ( 0.000 6.086 -12.121) 13.563 4.271 ( 0.000 9.635 0.284) 9.639 4.299 ( 0.000 5.236 -3.184) 6.128 4.628 ( 0.000 2.516 2.989) 3.907 4.636 ( 0.000 8.606 4.704) 9.807 4.757 ( 0.000 11.334 0.189) 11.336 4.782 ( 0.000 11.710 -4.531) 12.556 5.145 ( 0.000 0.518 11.543) 11.555 5.239 ( 0.000 2.043 -3.654) 4.186 5.313 ( 0.000 4.027 -2.007) 4.500 5.419 ( 0.000 2.216 -8.294) 8.585 5.547 ( 0.000 5.284 2.397) 5.803 5.565 ( 0.000 1.931 0.561) 2.010 6.155 ( 0.000 -0.090 12.204) 12.204 6.398 ( 0.000 -7.934 -7.878) 11.181 6.446 ( 0.000 15.683 4.984) 16.456 6.650 ( 0.000 17.803 -10.895) 20.872 7.057 ( 0.000 16.863 12.801) 21.171 7.122 ( 0.000 17.812 5.870) 18.754 7.310 ( 0.000 15.001 -7.876) 16.943 7.384 ( 0.000 4.021 -13.752) 14.328 7.909 ( 0.000 25.323 10.864) 27.556 8.009 ( 0.000 14.333 7.437) 16.147 8.160 ( 0.000 20.268 -4.565) 20.776 8.295 ( 0.000 8.616 -8.265) 11.939 8.570 ( 0.000 11.568 9.885) 15.216 8.692 ( 0.000 -7.709 -1.045) 7.779 8.793 ( 0.000 -0.350 -1.271) 1.318 8.880 ( 0.000 27.396 -9.794) 29.094 9.089 ( 0.000 16.212 7.126) 17.709 9.201 ( 0.000 14.306 -4.398) 14.967 9.695 ( 0.000 10.627 1.859) 10.788 9.700 ( 0.000 13.207 1.206) 13.262 10.960 ( 0.000 6.121 0.564) 6.147 10.991 ( 0.000 10.576 -2.845) 10.952 11.298 ( 0.000 9.163 3.023) 9.648 11.384 ( 0.000 4.896 -5.820) 7.605 11.807 ( 0.000 17.443 -0.323) 17.446 11.818 ( 0.000 22.508 -1.766) 22.577 11.981 ( 0.000 -1.296 6.566) 6.693 12.099 ( 0.000 -1.355 23.123) 23.163 12.127 ( 0.000 -3.295 -7.967) 8.622 12.524 ( 0.000 -4.873 -21.072) 21.628 12.960 ( 0.000 4.469 13.886) 14.588 13.218 ( 0.000 2.169 -13.047) 13.226 13.332 ( 0.000 2.642 3.490) 4.377 13.379 ( 0.000 -2.722 -0.734) 2.819 13.642 ( 0.000 6.301 1.119) 6.399 13.650 ( 0.000 4.738 0.235) 4.744 14.829 ( 0.000 16.606 0.956) 16.633 14.876 ( 0.000 11.600 -3.863) 12.227 15.071 ( 0.000 5.647 2.462) 6.161 15.093 ( 0.000 4.744 0.197) 4.748 15.296 ( 0.000 -1.041 3.741) 3.883 15.353 ( 0.000 -2.978 -2.323) 3.777 15.495 ( 0.000 -0.413 4.552) 4.571 15.594 ( 0.000 -3.091 -5.177) 6.029 15.904 ( 0.000 -8.308 4.406) 9.404 15.999 ( 0.000 -8.043 -4.982) 9.461 16.599 ( 0.000 2.146 3.095) 3.766 16.655 ( 0.000 3.114 -2.802) 4.189 17.174 ( 0.000 -0.245 8.019) 8.023 17.327 ( 0.000 -3.389 -7.999) 8.687 17.698 ( 0.000 -10.202 1.156) 10.268 17.724 ( 0.000 -11.019 -1.532) 11.125 18.750 ( 0.000 -13.409 3.865) 13.955 18.830 ( 0.000 -15.057 -4.433) 15.696 19.311 ( 0.000 -1.520 9.561) 9.681 19.481 ( 0.000 -3.344 -8.187) 8.843 20.102 ( 0.000 -4.394 4.114) 6.020 20.185 ( 0.000 -6.586 -4.628) 8.049 20.272 ( 0.000 -5.270 0.397) 5.285 20.290 ( 0.000 -4.351 -1.456) 4.588 21.050 ( 0.000 7.121 8.693) 11.237 21.219 ( 0.000 5.807 -9.473) 11.111 22.028 ( 0.000 -7.007 8.858) 11.294 22.171 ( 0.000 -8.152 -6.515) 10.435 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -1.549 5.639 5.507) 8.033 2.646 ( -1.705 7.476 -3.020) 8.242 3.326 ( -0.888 -4.004 6.640) 7.804 3.452 ( -1.924 0.614 -4.500) 4.932 3.616 ( -2.839 4.469 2.292) 5.769 3.694 ( -3.836 8.163 -5.366) 10.495 3.856 ( 6.534 13.222 2.380) 14.939 3.966 ( 6.752 6.122 -7.245) 11.643 4.235 ( 0.347 8.454 5.716) 10.211 4.373 ( -1.130 7.546 -7.418) 10.642 4.537 ( -1.772 2.740 9.087) 9.655 4.696 ( -4.087 1.450 -5.288) 6.839 4.733 ( 1.613 11.297 -1.214) 11.476 4.776 ( 0.361 14.571 -3.976) 15.108 5.076 ( -4.511 3.276 12.463) 13.653 5.185 ( -0.260 0.903 2.925) 3.072 5.360 ( -4.021 3.894 -6.207) 8.358 5.406 ( 5.400 4.664 -7.617) 10.437 5.563 ( -1.009 1.039 5.838) 6.015 5.649 ( 4.951 2.677 -2.491) 6.155 6.151 ( 0.624 0.648 11.158) 11.195 6.394 ( -0.611 -6.972 -11.706) 13.639 6.407 ( -1.764 13.125 7.095) 15.024 6.603 ( -3.326 13.443 -10.889) 17.617 7.100 ( 4.417 21.075 8.437) 23.127 7.212 ( 6.380 19.745 3.123) 20.984 7.355 ( 5.634 9.077 -0.798) 10.714 7.521 ( 8.202 5.205 -9.949) 13.905 7.880 ( -2.046 23.740 10.428) 26.010 7.966 ( -2.472 15.059 6.418) 16.555 8.149 ( -1.103 20.070 -3.209) 20.355 8.261 ( -3.063 8.566 -9.519) 13.167 8.614 ( 2.834 20.995 5.819) 21.970 8.703 ( 1.188 3.745 -1.003) 4.055 8.854 ( 4.780 0.575 -1.195) 4.960 8.902 ( 2.816 14.597 -6.462) 16.210 9.077 ( -0.885 13.743 7.449) 15.657 9.196 ( -0.615 13.339 -5.297) 14.366 9.594 ( -7.648 12.233 4.374) 15.076 9.651 ( -5.760 10.865 -1.636) 12.406 10.979 ( 1.755 6.502 0.766) 6.778 11.011 ( 1.591 10.475 -2.597) 10.909 11.247 ( -3.181 10.527 3.480) 11.535 11.329 ( -4.151 7.431 -4.879) 9.811 11.776 ( -0.628 14.114 2.767) 14.396 11.851 ( -0.829 11.937 -5.500) 13.169 12.048 ( 2.891 2.054 9.615) 10.248 12.158 ( 5.447 5.461 -1.017) 7.780 12.232 ( 10.409 -3.033 9.369) 14.329 12.528 ( 2.913 -3.627 -15.112) 15.811 12.952 ( -1.976 4.937 12.550) 13.630 13.190 ( -4.549 2.302 -9.725) 10.980 13.287 ( -3.183 2.992 -0.010) 4.369 13.323 ( -3.785 0.802 -1.347) 4.097 13.605 ( -2.810 4.119 0.951) 5.076 13.630 ( -1.765 2.096 -1.475) 3.112 14.805 ( -1.621 14.017 2.333) 14.302 14.860 ( -1.043 10.464 -3.175) 10.985 14.975 ( -5.553 5.823 3.963) 8.969 15.029 ( -5.214 4.281 -1.834) 6.991 15.362 ( 2.163 -1.285 1.587) 2.974 15.392 ( 0.809 -3.897 -1.355) 4.205 15.565 ( 8.959 5.522 6.639) 12.443 15.706 ( 9.575 0.754 -7.282) 12.053 15.927 ( 2.113 -9.753 4.181) 10.820 16.011 ( 1.049 -9.112 -4.203) 10.089 16.575 ( -2.790 1.420 5.313) 6.167 16.669 ( -1.064 2.910 -4.619) 5.562 17.085 ( -5.266 -5.363 8.321) 11.213 17.243 ( -5.646 -6.455 -8.241) 11.894 17.576 ( -10.272 -10.755 1.408) 14.939 17.610 ( -9.658 -11.186 -2.143) 14.933 18.888 ( 11.850 -11.558 3.678) 16.958 18.964 ( 11.377 -13.364 -4.146) 18.034 19.412 ( 8.091 0.440 9.206) 12.264 19.573 ( 7.363 0.074 -7.508) 10.516 19.938 ( -12.991 -9.114 0.443) 15.875 19.963 ( -13.632 -5.701 -1.984) 14.909 20.297 ( -0.885 -3.883 1.886) 4.407 20.324 ( -0.541 -1.964 -0.863) 2.213 21.152 ( 8.156 5.547 6.091) 11.592 21.281 ( 4.910 5.070 -7.661) 10.416 22.027 ( 0.066 -7.534 7.411) 10.568 22.149 ( -2.075 -8.317 -5.633) 10.257 ======================= Grid point 177 (66/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.758 10.318 3.675) 10.979 2.595 ( -2.781 11.263 -0.538) 11.614 3.337 ( 1.702 -3.420 -0.084) 3.822 3.390 ( -3.241 -1.190 -5.482) 6.479 3.587 ( 0.204 8.775 0.224) 8.781 3.620 ( -2.835 9.398 -3.519) 10.428 4.021 ( 8.494 9.370 5.311) 13.717 4.103 ( 3.533 3.900 -2.421) 5.792 4.277 ( 2.981 8.926 5.190) 10.746 4.330 ( 1.369 9.176 -1.447) 9.390 4.398 ( -9.198 11.594 5.611) 15.828 4.503 ( -11.272 4.683 -5.153) 13.249 4.803 ( 5.953 7.176 4.112) 10.190 4.923 ( 2.558 3.784 1.087) 4.695 4.992 ( 2.494 7.706 -1.548) 8.246 5.166 ( -5.877 3.435 -8.947) 11.243 5.328 ( 3.641 3.344 9.361) 10.586 5.445 ( -5.229 3.531 9.185) 11.143 5.555 ( 4.955 0.818 -8.586) 9.947 5.665 ( -3.711 2.293 -9.428) 10.388 6.221 ( 5.782 -0.123 10.004) 11.555 6.338 ( -4.641 -2.086 6.741) 8.446 6.442 ( 4.445 8.101 -9.932) 13.566 6.535 ( -3.762 8.334 -10.199) 13.698 7.229 ( 7.135 20.965 3.895) 22.486 7.317 ( 1.274 21.492 -5.169) 22.141 7.464 ( 4.525 7.064 12.252) 14.849 7.571 ( -3.836 7.146 4.201) 9.134 7.906 ( 4.771 20.946 3.941) 21.841 7.961 ( 1.057 13.190 3.693) 13.738 8.117 ( -0.849 20.462 -6.720) 21.554 8.176 ( -4.826 11.709 -10.287) 16.316 8.665 ( 2.180 26.322 1.703) 26.466 8.702 ( -1.324 24.680 -1.931) 24.791 8.970 ( 4.952 2.297 0.610) 5.493 8.986 ( 3.478 4.814 -0.657) 5.975 9.075 ( 1.896 6.068 4.885) 8.018 9.162 ( -3.400 7.928 -3.996) 9.507 9.448 ( -3.752 12.067 2.910) 12.968 9.501 ( -7.126 10.105 -2.426) 12.600 11.021 ( 1.812 8.265 0.356) 8.468 11.037 ( 0.422 10.321 -1.326) 10.414 11.214 ( 0.283 10.477 2.410) 10.754 11.251 ( -2.988 9.131 -1.288) 9.694 11.767 ( 0.137 10.715 -0.327) 10.721 11.801 ( -2.864 8.873 -4.204) 10.228 12.115 ( 3.330 1.654 4.632) 5.940 12.174 ( -2.077 -0.740 -1.710) 2.790 12.536 ( 15.994 6.052 9.203) 19.420 12.707 ( 12.550 2.141 -7.180) 14.617 12.827 ( -10.348 5.227 11.545) 16.361 12.988 ( -12.999 2.608 -2.879) 13.567 13.258 ( -0.434 4.871 -4.597) 6.712 13.265 ( -1.449 4.374 -3.906) 6.040 13.567 ( -0.310 -0.966 -0.818) 1.303 13.588 ( -1.940 -1.310 -2.808) 3.655 14.801 ( 1.747 9.891 3.707) 10.706 14.859 ( 1.434 9.294 -2.120) 9.640 14.870 ( -4.465 6.238 3.594) 8.471 14.924 ( -4.532 6.302 -1.966) 8.008 15.375 ( -0.060 -0.820 1.295) 1.534 15.381 ( -0.770 -1.728 0.869) 2.082 15.794 ( 10.005 7.768 1.706) 12.781 15.878 ( 3.084 6.617 -7.077) 10.168 16.003 ( 5.277 -8.288 2.793) 10.214 16.035 ( 1.319 -9.558 -0.669) 9.672 16.469 ( -5.014 -5.066 5.082) 8.754 16.532 ( -9.636 -2.722 -1.532) 10.130 17.110 ( 7.583 -9.749 4.409) 13.115 17.214 ( 3.713 -9.411 -6.251) 11.893 17.335 ( -11.710 -10.701 1.971) 15.985 17.387 ( -10.572 -10.609 -3.469) 15.373 19.178 ( 14.720 -9.154 2.775) 17.555 19.235 ( 13.043 -10.571 -3.202) 17.091 19.493 ( -5.344 -3.349 5.545) 8.398 19.576 ( -12.812 -3.596 -3.187) 13.683 19.762 ( 1.868 -1.282 0.295) 2.285 19.781 ( -0.705 0.739 -2.020) 2.264 20.251 ( -1.983 -4.382 1.755) 5.120 20.270 ( -3.321 -3.805 -0.265) 5.057 21.312 ( 5.855 4.618 2.041) 7.731 21.360 ( 1.358 4.690 -3.053) 5.759 22.041 ( 1.605 -8.573 2.848) 9.175 22.093 ( -3.033 -8.715 -2.579) 9.581 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.000 1.868 4.323) 4.710 2.721 ( 0.000 0.777 -4.325) 4.394 3.243 ( 0.000 -3.886 8.736) 9.561 3.394 ( 0.000 -6.275 -7.269) 9.602 3.771 ( 0.000 6.930 6.207) 9.303 3.895 ( 0.000 4.894 -6.480) 8.120 4.025 ( 0.000 10.792 -1.186) 10.857 4.062 ( 0.000 13.125 -5.025) 14.054 4.395 ( 0.000 4.322 1.087) 4.457 4.438 ( 0.000 5.193 -3.824) 6.449 4.701 ( 0.000 5.626 5.908) 8.158 4.743 ( 0.000 1.661 2.840) 3.290 4.950 ( 0.000 3.212 0.883) 3.331 4.973 ( 0.000 4.174 -4.199) 5.920 5.117 ( 0.000 -1.096 7.695) 7.772 5.257 ( 0.000 2.158 -6.886) 7.216 5.334 ( 0.000 -0.198 6.209) 6.213 5.421 ( 0.000 -3.437 -2.800) 4.433 5.540 ( 0.000 -0.582 1.994) 2.077 5.609 ( 0.000 3.625 -5.211) 6.347 6.195 ( 0.000 2.724 2.938) 4.007 6.246 ( 0.000 -6.466 0.505) 6.485 6.615 ( 0.000 2.176 5.934) 6.320 6.847 ( 0.000 -0.873 -16.434) 16.457 7.214 ( 0.000 6.390 15.123) 16.418 7.350 ( 0.000 6.576 8.341) 10.622 7.545 ( 0.000 9.494 -7.472) 12.082 7.667 ( 0.000 13.802 -14.029) 19.681 8.199 ( 0.000 4.041 8.374) 9.298 8.223 ( 0.000 2.622 8.194) 8.603 8.364 ( 0.000 0.920 -6.574) 6.638 8.364 ( 0.000 0.419 -5.553) 5.569 8.572 ( 0.000 8.963 3.808) 9.739 8.703 ( 0.000 10.185 -8.106) 13.017 9.226 ( 0.000 24.197 13.124) 27.527 9.389 ( 0.000 19.549 4.106) 19.976 9.506 ( 0.000 21.139 -5.900) 21.947 9.571 ( 0.000 18.337 -5.078) 19.027 9.906 ( 0.000 9.023 2.612) 9.394 9.950 ( 0.000 10.032 -2.038) 10.237 11.008 ( 0.000 2.549 2.432) 3.523 11.080 ( 0.000 1.817 -5.356) 5.656 11.534 ( 0.000 9.101 -0.711) 9.129 11.545 ( 0.000 5.620 -1.471) 5.810 11.858 ( 0.000 -4.299 5.122) 6.687 11.912 ( 0.000 -9.343 -1.437) 9.453 12.038 ( 0.000 -0.275 14.578) 14.580 12.298 ( 0.000 21.586 5.663) 22.316 12.321 ( 0.000 14.048 -9.459) 16.936 12.437 ( 0.000 0.870 -13.523) 13.551 13.083 ( 0.000 5.716 8.307) 10.083 13.239 ( 0.000 -0.975 -6.855) 6.924 13.330 ( 0.000 -0.137 3.882) 3.884 13.391 ( 0.000 4.422 -3.270) 5.499 13.763 ( 0.000 4.647 1.006) 4.754 13.772 ( 0.000 5.249 -0.047) 5.249 14.969 ( 0.000 -1.243 3.982) 4.172 15.057 ( 0.000 4.347 -2.364) 4.948 15.117 ( 0.000 -0.335 0.285) 0.439 15.150 ( 0.000 -0.104 -0.026) 0.107 15.238 ( 0.000 -5.695 -0.830) 5.755 15.247 ( 0.000 -2.274 -1.978) 3.014 15.561 ( 0.000 5.527 3.282) 6.428 15.596 ( 0.000 3.247 0.603) 3.303 15.800 ( 0.000 -2.220 2.473) 3.323 15.874 ( 0.000 -4.128 -4.454) 6.073 16.625 ( 0.000 1.072 3.454) 3.616 16.682 ( 0.000 0.186 -2.411) 2.418 17.183 ( 0.000 0.791 3.748) 3.830 17.271 ( 0.000 -2.320 -5.349) 5.831 17.488 ( 0.000 -9.947 0.061) 9.948 17.494 ( 0.000 -10.929 -0.538) 10.943 18.491 ( 0.000 -10.765 1.066) 10.817 18.538 ( 0.000 -12.383 -3.666) 12.914 19.302 ( 0.000 0.218 9.979) 9.981 19.416 ( 0.000 -3.310 -1.127) 3.497 19.933 ( 0.000 -8.233 -2.246) 8.534 19.967 ( 0.000 -9.745 -4.825) 10.874 20.299 ( 0.000 3.834 2.238) 4.439 20.330 ( 0.000 3.265 -1.223) 3.487 21.201 ( 0.000 7.227 6.627) 9.806 21.331 ( 0.000 4.639 -7.242) 8.600 21.908 ( 0.000 -4.486 6.682) 8.048 22.022 ( 0.000 -6.523 -5.394) 8.464 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 2.320 3.916 4.889) 6.680 2.756 ( 2.666 3.282 -5.217) 6.716 3.220 ( -1.688 -4.785 7.276) 8.870 3.360 ( -3.274 -6.690 -7.500) 10.570 3.786 ( 1.423 9.028 4.562) 10.215 3.879 ( -1.174 8.292 -5.419) 9.975 4.077 ( 4.196 7.124 -0.230) 8.272 4.102 ( 2.615 9.265 -2.758) 10.014 4.385 ( 0.861 5.697 3.856) 6.933 4.474 ( 0.859 3.137 -5.292) 6.212 4.628 ( -1.257 5.814 4.498) 7.457 4.729 ( -4.735 1.401 -4.190) 6.476 4.953 ( 0.422 8.364 4.166) 9.354 5.010 ( 2.196 3.374 1.141) 4.184 5.116 ( -7.543 3.272 3.505) 8.937 5.151 ( 2.778 -2.085 1.352) 3.727 5.383 ( -0.695 -1.043 1.250) 1.770 5.442 ( 4.412 -0.037 -4.173) 6.073 5.541 ( -1.245 -0.765 4.597) 4.824 5.658 ( 2.815 0.682 -6.927) 7.508 6.183 ( -0.690 1.442 3.755) 4.081 6.250 ( 0.540 -4.764 -0.205) 4.799 6.557 ( -3.370 1.152 2.731) 4.488 6.741 ( -7.074 -1.627 -13.948) 15.724 7.330 ( 8.685 6.374 14.845) 18.342 7.455 ( 7.275 7.339 10.476) 14.715 7.590 ( 3.612 7.745 -7.922) 11.653 7.685 ( 0.467 10.415 -9.659) 14.213 8.175 ( 0.710 8.047 3.881) 8.962 8.231 ( -0.416 7.434 6.421) 9.832 8.335 ( -1.163 2.722 -6.283) 6.945 8.395 ( 1.317 4.269 -6.303) 7.726 8.703 ( 11.119 5.336 2.232) 12.533 8.778 ( 7.275 6.595 -5.233) 11.127 9.232 ( 0.574 23.729 11.443) 26.350 9.371 ( -1.853 17.984 6.062) 19.068 9.456 ( -4.644 21.343 -6.190) 22.702 9.540 ( -3.414 17.092 -6.514) 18.607 9.832 ( -6.367 9.779 2.499) 11.934 9.871 ( -6.893 9.505 -1.714) 11.866 11.013 ( 0.576 2.393 2.169) 3.280 11.075 ( -0.484 1.503 -4.491) 4.761 11.560 ( 2.622 12.580 0.112) 12.851 11.577 ( 2.849 7.996 -1.429) 8.608 11.831 ( -2.490 -4.388 4.564) 6.803 11.873 ( -3.076 -3.199 -0.269) 4.446 12.073 ( 2.397 -4.226 10.285) 11.374 12.280 ( -2.963 7.325 -8.323) 11.477 12.428 ( 10.042 13.679 2.285) 17.122 12.522 ( 9.036 9.263 -6.741) 14.591 13.085 ( -1.173 7.332 8.266) 11.112 13.210 ( -4.502 -0.065 -1.462) 4.734 13.324 ( 1.316 -0.210 -1.206) 1.797 13.352 ( -2.251 3.726 -4.459) 6.232 13.713 ( -4.779 4.833 -0.164) 6.799 13.716 ( -4.955 5.111 -0.138) 7.120 14.885 ( -5.458 -1.548 1.998) 6.015 14.942 ( -6.685 0.483 -3.835) 7.722 15.111 ( -0.122 3.779 4.411) 5.810 15.165 ( -1.265 1.678 -1.013) 2.333 15.296 ( 3.279 -2.286 -0.363) 4.014 15.302 ( 3.816 -2.184 -1.075) 4.526 15.650 ( 8.679 3.404 5.980) 11.076 15.732 ( 9.889 0.024 0.974) 9.937 15.790 ( 0.788 -2.439 -0.822) 2.692 15.862 ( -0.467 -4.831 -5.110) 7.047 16.594 ( -4.769 1.073 6.673) 8.272 16.713 ( 1.469 1.417 -5.232) 5.616 16.979 ( -15.171 -4.829 5.895) 16.977 17.114 ( -10.794 -6.305 -7.815) 14.742 17.362 ( -9.961 -9.545 0.918) 13.827 17.387 ( -8.859 -9.885 -1.707) 13.383 18.670 ( 14.538 -8.837 1.300) 17.063 18.711 ( 14.049 -10.405 -2.811) 17.707 19.426 ( 8.768 0.525 11.555) 14.515 19.559 ( 11.725 -2.322 1.155) 12.008 19.762 ( -13.566 -6.389 -4.798) 15.744 19.819 ( -9.632 -6.796 -7.179) 13.802 20.300 ( -1.694 2.523 3.134) 4.365 20.336 ( -1.890 1.810 -0.750) 2.722 21.278 ( 6.644 6.387 5.031) 10.500 21.387 ( 4.662 4.699 -6.468) 9.255 21.894 ( -1.196 -5.277 6.000) 8.079 21.995 ( -2.511 -6.785 -4.783) 8.673 ======================= Grid point 182 (69/72) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 3.964 7.401 3.549) 9.115 2.788 ( -0.554 7.840 -2.099) 8.134 3.206 ( 1.161 -7.463 1.310) 7.666 3.272 ( -4.525 -7.458 -5.438) 10.279 3.822 ( 1.781 11.473 0.369) 11.617 3.854 ( -1.334 11.431 -3.118) 11.923 4.141 ( 1.552 1.679 0.660) 2.379 4.148 ( 1.430 2.365 -0.094) 2.765 4.444 ( 4.094 6.019 4.078) 8.344 4.502 ( 3.550 7.885 -1.107) 8.718 4.573 ( -6.041 3.914 0.980) 7.265 4.618 ( -4.801 8.615 -2.519) 10.179 4.968 ( 1.778 7.130 4.075) 8.403 5.016 ( -1.979 4.233 5.732) 7.396 5.083 ( 4.156 -0.120 -0.795) 4.233 5.170 ( -2.120 -3.006 -2.961) 4.722 5.382 ( 2.176 3.378 7.169) 8.218 5.467 ( -4.766 1.813 7.207) 8.828 5.551 ( 5.085 -0.426 -9.157) 10.483 5.651 ( -3.667 -1.697 -10.627) 11.370 6.203 ( 2.852 -0.518 6.337) 6.968 6.256 ( -1.042 -2.545 3.631) 4.555 6.538 ( 1.920 -1.618 -5.336) 5.897 6.616 ( -5.020 -2.652 -10.823) 12.222 7.502 ( 7.486 6.491 11.479) 15.164 7.586 ( 4.138 6.691 8.649) 11.692 7.638 ( -2.009 2.658 3.180) 4.605 7.648 ( -1.381 10.012 -2.555) 10.425 8.221 ( 1.738 11.502 1.698) 11.756 8.236 ( 0.741 12.465 -2.122) 12.666 8.334 ( 2.022 5.998 -7.142) 9.543 8.392 ( -1.964 7.757 -9.371) 12.322 8.980 ( 14.359 6.460 1.311) 15.800 8.995 ( 12.963 5.675 -0.042) 14.151 9.223 ( -4.136 18.808 6.517) 20.330 9.259 ( -10.439 10.761 6.165) 16.210 9.370 ( -1.373 21.803 -4.253) 22.257 9.423 ( -6.192 16.885 -6.352) 19.073 9.709 ( -3.536 11.348 1.060) 11.933 9.727 ( -5.110 10.525 -0.714) 11.722 11.033 ( 1.281 2.023 0.794) 2.523 11.059 ( -1.079 1.495 -1.984) 2.709 11.634 ( 3.633 19.229 1.444) 19.623 11.644 ( 2.829 15.575 0.020) 15.830 11.774 ( -2.197 -7.023 1.390) 7.489 11.797 ( -3.821 -3.131 -1.285) 5.104 12.125 ( 2.809 -2.997 4.202) 5.876 12.198 ( -4.167 1.495 -3.413) 5.590 12.691 ( 14.049 8.746 4.578) 17.171 12.773 ( 13.579 8.167 -2.796) 16.090 12.961 ( -10.465 6.448 5.840) 13.609 13.044 ( -11.218 3.631 -1.270) 11.859 13.363 ( 4.762 4.945 -0.375) 6.875 13.409 ( 3.882 6.069 -5.299) 8.943 13.575 ( -6.187 2.061 0.216) 6.525 13.602 ( -5.931 2.241 -2.609) 6.856 14.810 ( -1.129 -1.693 0.233) 2.048 14.837 ( -3.399 -0.962 -2.560) 4.363 15.110 ( 0.285 4.624 2.889) 5.459 15.130 ( -1.595 3.757 0.745) 4.149 15.336 ( 0.956 0.707 -0.095) 1.193 15.347 ( 0.298 0.921 -1.109) 1.472 15.777 ( 1.296 -7.480 1.939) 7.835 15.804 ( -0.359 -7.219 -1.166) 7.322 15.930 ( 14.020 0.199 6.701) 15.540 16.045 ( 12.850 4.100 -4.868) 14.340 16.363 ( -13.551 -4.175 7.601) 16.089 16.501 ( -18.251 -1.160 -5.897) 19.215 16.919 ( 7.566 -8.032 4.338) 11.857 17.031 ( 2.831 -8.180 -6.686) 10.938 17.134 ( -10.825 -8.330 1.713) 13.766 17.186 ( -9.459 -8.608 -3.531) 13.268 19.006 ( 16.504 -6.982 1.278) 17.966 19.035 ( 15.856 -8.193 -1.734) 17.932 19.372 ( -13.029 -6.595 4.557) 15.297 19.419 ( -16.578 -8.385 -0.486) 18.584 19.828 ( 11.000 4.626 0.207) 11.935 19.857 ( 9.535 4.376 -3.081) 10.934 20.204 ( -5.985 -0.583 2.247) 6.419 20.230 ( -7.147 -0.708 -0.567) 7.204 21.422 ( 5.849 5.976 1.912) 8.577 21.470 ( 1.748 5.812 -3.124) 6.826 21.878 ( 0.479 -7.373 2.704) 7.868 21.927 ( -3.596 -7.580 -2.421) 8.732 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 0.000 1.594 2.320) 2.815 2.707 ( 0.000 -1.584 -1.090) 1.923 3.212 ( 0.000 0.893 2.106) 2.288 3.273 ( 0.000 -4.862 -4.212) 6.433 3.888 ( 0.000 4.142 2.141) 4.663 3.934 ( 0.000 -0.357 -2.704) 2.728 4.286 ( 0.000 12.354 1.533) 12.449 4.326 ( 0.000 10.982 -2.533) 11.271 4.481 ( 0.000 0.770 0.322) 0.834 4.482 ( 0.000 4.767 0.961) 4.863 4.651 ( 0.000 -9.455 1.400) 9.558 4.692 ( 0.000 -10.670 -1.749) 10.812 4.957 ( 0.000 5.998 2.358) 6.445 5.018 ( 0.000 1.344 -3.586) 3.830 5.184 ( 0.000 3.279 6.715) 7.473 5.267 ( 0.000 -4.887 -1.662) 5.162 5.312 ( 0.000 -0.955 2.276) 2.469 5.321 ( 0.000 -1.902 0.939) 2.121 5.625 ( 0.000 7.459 2.327) 7.814 5.709 ( 0.000 2.235 -6.610) 6.977 6.150 ( 0.000 -0.987 2.525) 2.711 6.205 ( 0.000 -2.642 -3.488) 4.376 6.629 ( 0.000 1.120 1.028) 1.520 6.714 ( 0.000 -7.581 -7.694) 10.802 7.362 ( 0.000 6.257 13.245) 14.649 7.428 ( 0.000 0.343 10.961) 10.966 7.702 ( 0.000 6.183 -8.397) 10.428 7.786 ( 0.000 -0.911 -13.151) 13.183 8.193 ( 0.000 -1.302 4.158) 4.358 8.196 ( 0.000 -1.648 3.747) 4.094 8.408 ( 0.000 3.021 -1.208) 3.253 8.420 ( 0.000 2.265 -3.966) 4.567 8.797 ( 0.000 8.389 -0.251) 8.393 8.857 ( 0.000 2.782 -5.842) 6.471 9.597 ( 0.000 10.951 13.673) 17.518 9.653 ( 0.000 5.518 11.740) 12.972 9.829 ( 0.000 8.990 -9.033) 12.744 9.847 ( 0.000 7.146 -7.217) 10.156 10.043 ( 0.000 4.361 0.141) 4.364 10.074 ( 0.000 1.904 -3.103) 3.641 11.134 ( 0.000 10.061 3.277) 10.581 11.191 ( 0.000 9.725 -2.956) 10.164 11.408 ( 0.000 -13.272 4.201) 13.921 11.470 ( 0.000 -13.238 -3.064) 13.588 11.872 ( 0.000 4.902 4.994) 6.997 11.947 ( 0.000 2.120 4.782) 5.231 12.025 ( 0.000 5.721 -2.391) 6.201 12.231 ( 0.000 -9.780 -15.799) 18.581 12.700 ( 0.000 14.137 1.719) 14.241 12.717 ( 0.000 11.393 -0.492) 11.404 13.102 ( 0.000 -1.819 4.652) 4.995 13.159 ( 0.000 -6.119 -0.512) 6.140 13.427 ( 0.000 7.008 4.531) 8.345 13.485 ( 0.000 2.437 -1.655) 2.946 13.813 ( 0.000 0.888 0.827) 1.214 13.827 ( 0.000 0.173 -0.584) 0.609 14.935 ( 0.000 -0.200 3.724) 3.730 14.991 ( 0.000 -5.330 -1.222) 5.468 15.112 ( 0.000 -1.342 -0.888) 1.609 15.121 ( 0.000 -1.395 -1.321) 1.922 15.191 ( 0.000 0.794 -0.006) 0.794 15.217 ( 0.000 -1.379 -1.336) 1.920 15.663 ( 0.000 3.266 2.222) 3.950 15.672 ( 0.000 2.475 2.033) 3.203 15.790 ( 0.000 0.787 -0.834) 1.147 15.818 ( 0.000 -1.817 -3.066) 3.564 16.655 ( 0.000 1.711 2.744) 3.234 16.680 ( 0.000 -0.509 0.291) 0.587 17.201 ( 0.000 1.068 0.175) 1.082 17.229 ( 0.000 -1.723 -2.712) 3.213 17.319 ( 0.000 -4.926 -0.433) 4.945 17.324 ( 0.000 -5.104 -0.835) 5.171 18.341 ( 0.000 -3.540 -1.022) 3.684 18.356 ( 0.000 -5.032 -2.521) 5.628 19.315 ( 0.000 1.097 9.772) 9.833 19.352 ( 0.000 -2.623 6.510) 7.019 19.820 ( 0.000 -2.629 -6.953) 7.433 19.829 ( 0.000 -3.594 -7.170) 8.020 20.366 ( 0.000 2.178 1.605) 2.706 20.378 ( 0.000 1.018 0.271) 1.053 21.329 ( 0.000 4.945 3.471) 6.042 21.384 ( 0.000 0.000 -2.128) 2.128 21.859 ( 0.000 0.038 2.035) 2.035 21.908 ( 0.000 -4.376 -2.996) 5.303 ======================= Grid point 186 (71/72) ======================= q-point: ( 0.20 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 5.286 3.020 2.537) 6.596 2.778 ( 6.070 -1.042 -2.205) 6.541 3.171 ( -3.791 0.426 2.245) 4.426 3.232 ( -3.817 -5.130 -4.137) 7.616 3.931 ( 3.624 4.737 1.958) 6.278 3.973 ( 3.201 0.802 -2.400) 4.081 4.228 ( -4.823 6.182 0.652) 7.868 4.252 ( -4.809 3.861 -1.843) 6.437 4.500 ( 3.096 7.080 3.037) 8.303 4.551 ( 3.862 5.657 -2.498) 7.291 4.666 ( 1.066 -5.013 1.176) 5.259 4.692 ( -0.302 -6.143 -1.521) 6.336 4.969 ( 0.916 1.639 3.746) 4.191 5.030 ( 0.450 -2.106 -1.980) 2.925 5.145 ( -2.694 2.867 4.064) 5.656 5.198 ( -4.886 -0.009 -1.697) 5.173 5.377 ( 4.817 0.450 3.446) 5.940 5.400 ( 6.124 -2.239 1.442) 6.678 5.606 ( -1.741 6.521 3.340) 7.530 5.700 ( -1.422 -0.039 -5.698) 5.873 6.166 ( 1.705 0.870 1.550) 2.463 6.222 ( 1.712 -1.570 -4.071) 4.687 6.536 ( -6.823 -0.679 -1.017) 6.931 6.607 ( -7.777 -7.708 -8.025) 13.576 7.463 ( 7.587 5.706 13.730) 16.692 7.528 ( 7.199 -0.082 11.877) 13.889 7.716 ( 0.780 4.920 -5.467) 7.396 7.779 ( -0.923 -0.508 -7.169) 7.246 8.265 ( 7.124 1.835 0.604) 7.382 8.284 ( 6.475 -0.031 1.523) 6.652 8.419 ( 1.249 4.167 -4.439) 6.215 8.450 ( 2.474 1.315 -5.834) 6.472 8.850 ( 5.837 6.099 0.256) 8.445 8.892 ( 4.071 2.352 -3.939) 6.133 9.586 ( -1.506 9.676 12.435) 15.828 9.618 ( -4.011 5.933 11.407) 13.469 9.784 ( -4.333 9.004 -8.506) 13.122 9.804 ( -4.044 7.152 -8.542) 11.852 9.968 ( -6.286 3.820 0.294) 7.362 9.994 ( -6.606 2.014 -2.331) 7.289 11.147 ( 1.187 10.738 3.191) 11.265 11.197 ( 0.368 10.810 -2.156) 11.029 11.428 ( 1.834 -14.155 4.594) 14.994 11.490 ( 1.343 -14.777 -2.455) 15.040 11.898 ( 2.537 7.123 3.973) 8.542 11.978 ( 2.760 4.011 0.704) 4.919 12.036 ( 0.888 3.971 0.539) 4.105 12.217 ( -1.471 -8.043 -13.082) 15.427 12.737 ( 4.249 12.539 3.007) 13.576 12.780 ( 5.428 9.054 -1.703) 10.694 13.144 ( 3.095 -0.995 4.359) 5.437 13.184 ( 0.860 -3.588 1.083) 3.845 13.374 ( -3.188 5.717 3.015) 7.207 13.429 ( -4.014 1.790 -2.454) 5.034 13.772 ( -4.112 1.258 0.266) 4.309 13.782 ( -4.526 0.810 -0.686) 4.649 14.887 ( -3.655 2.884 2.816) 5.441 14.953 ( -3.848 0.891 -3.505) 5.281 15.035 ( -2.919 -7.189 0.870) 7.808 15.064 ( -2.535 -5.520 -1.300) 6.212 15.309 ( 7.421 2.013 0.756) 7.726 15.332 ( 7.084 0.370 -1.420) 7.234 15.712 ( -1.111 -0.046 4.412) 4.550 15.716 ( 3.186 1.149 4.851) 5.916 15.781 ( 1.260 1.505 -3.370) 3.900 15.823 ( 5.401 -1.007 -5.216) 7.576 16.638 ( -4.113 3.352 7.889) 9.508 16.710 ( 2.580 -2.411 3.132) 4.720 16.918 ( -21.309 0.166 -3.178) 21.545 16.988 ( -15.702 -5.622 -7.782) 18.404 17.224 ( -8.352 -3.295 0.135) 8.979 17.237 ( -7.788 -4.365 -1.190) 9.006 18.549 ( 16.180 -2.795 -0.224) 16.421 18.561 ( 15.970 -4.022 -1.440) 16.532 19.436 ( 6.073 0.946 13.208) 14.568 19.484 ( 6.582 -3.787 11.314) 13.626 19.700 ( -5.434 -0.436 -12.171) 13.336 19.722 ( -4.387 -2.673 -11.405) 12.509 20.352 ( -2.831 1.908 2.093) 4.004 20.365 ( -2.857 0.600 0.622) 2.985 21.396 ( 6.034 4.695 2.725) 8.117 21.446 ( 5.607 0.379 -2.368) 6.098 21.829 ( -2.861 -0.500 2.101) 3.585 21.876 ( -3.075 -4.581 -2.750) 6.164 ======================= Grid point 187 (72/72) ======================= q-point: ( 0.40 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 6.736 5.684 1.949) 9.027 2.913 ( 4.984 3.300 -3.058) 6.714 3.075 ( -3.861 -3.688 1.915) 5.673 3.125 ( -5.967 -6.377 -3.404) 9.373 4.011 ( 3.518 6.437 0.704) 7.369 4.038 ( 2.001 5.236 -2.124) 5.994 4.140 ( -2.274 -0.339 0.866) 2.457 4.166 ( -3.461 -1.252 -1.861) 4.125 4.570 ( 3.189 7.070 3.408) 8.472 4.615 ( 0.331 4.777 -0.975) 4.887 4.664 ( 0.909 1.799 1.850) 2.736 4.697 ( -0.484 -2.306 -0.590) 2.429 4.998 ( 2.598 -0.462 2.223) 3.450 5.038 ( 0.643 -2.947 0.166) 3.021 5.088 ( -3.358 0.039 -0.540) 3.401 5.096 ( -3.703 -0.866 -2.001) 4.297 5.474 ( 4.316 4.586 5.749) 8.527 5.529 ( 3.811 1.022 4.031) 5.641 5.561 ( -0.979 3.430 1.887) 4.035 5.640 ( -4.043 -1.350 -2.434) 4.908 6.223 ( 3.496 3.840 -0.272) 5.200 6.264 ( 1.063 2.701 -3.251) 4.358 6.421 ( -2.666 -7.039 -5.420) 9.275 6.465 ( -5.430 -9.387 -8.702) 13.904 7.610 ( 6.054 4.460 11.173) 13.468 7.662 ( 5.259 0.083 9.748) 11.076 7.703 ( -2.544 3.411 3.626) 5.590 7.743 ( -2.617 0.310 2.389) 3.557 8.394 ( 4.010 5.184 -2.063) 6.871 8.421 ( 5.372 3.166 -6.259) 8.835 8.440 ( 0.163 5.410 -6.583) 8.522 8.486 ( -0.219 1.471 -9.053) 9.174 9.071 ( 15.000 2.853 1.388) 15.332 9.083 ( 15.292 2.022 0.269) 15.428 9.417 ( -15.349 4.666 5.246) 16.879 9.437 ( -15.023 3.327 3.675) 15.820 9.714 ( 0.545 11.401 -1.764) 11.550 9.748 ( -1.104 10.218 -4.457) 11.202 9.848 ( -3.571 2.291 0.497) 4.272 9.870 ( -4.480 2.174 -1.603) 5.231 11.177 ( 1.468 11.811 2.222) 12.108 11.198 ( -0.438 11.980 0.028) 11.988 11.472 ( 2.091 -15.413 3.482) 15.939 11.501 ( -0.512 -15.980 0.311) 15.991 11.967 ( 3.564 10.116 0.943) 10.767 12.018 ( -0.641 10.440 -3.651) 11.079 12.077 ( 4.024 -2.289 1.877) 4.995 12.164 ( -3.643 -4.305 -6.682) 8.744 12.879 ( 9.047 8.309 3.923) 12.894 12.929 ( 8.502 4.527 -1.294) 9.719 13.085 ( -9.143 4.079 4.453) 10.957 13.113 ( -7.318 1.452 1.702) 7.652 13.429 ( 8.314 2.187 0.303) 8.602 13.459 ( 7.766 -0.158 -2.711) 8.227 13.631 ( -9.412 2.012 -0.025) 9.625 13.644 ( -8.463 0.903 -1.328) 8.614 14.835 ( -0.608 5.004 0.174) 5.043 14.868 ( -3.470 4.773 -3.205) 6.715 15.005 ( -0.261 -10.235 0.343) 10.244 15.022 ( -1.628 -8.805 -1.112) 9.023 15.446 ( 4.950 5.995 0.554) 7.794 15.460 ( 4.212 5.586 -0.935) 7.058 15.644 ( -2.812 -4.567 1.451) 5.556 15.665 ( -4.044 -5.635 -0.833) 6.986 15.974 ( 14.484 3.735 5.483) 15.931 16.054 ( 14.920 -2.895 -2.644) 15.426 16.344 ( -19.663 2.490 8.833) 21.699 16.436 ( -21.138 -5.199 0.666) 21.778 16.834 ( 7.161 0.149 -1.692) 7.359 16.895 ( 4.349 -5.043 -6.654) 9.414 17.022 ( -10.057 -2.120 0.040) 10.278 17.050 ( -9.137 -4.457 -2.740) 10.529 18.910 ( 17.789 -2.179 0.465) 17.928 18.919 ( 17.714 -3.040 -0.425) 17.978 19.273 ( -15.760 -2.428 3.158) 16.256 19.288 ( -16.647 -3.910 1.495) 17.166 19.903 ( 15.620 2.405 -1.179) 15.848 19.917 ( 15.507 1.159 -2.703) 15.783 20.210 ( -10.653 0.775 1.589) 10.798 20.223 ( -10.711 -0.344 0.205) 10.718 21.544 ( 6.998 5.463 1.408) 8.989 21.579 ( 5.408 3.637 -2.291) 6.908 21.751 ( -3.598 -4.032 1.891) 5.726 21.786 ( -5.175 -5.879 -1.836) 8.045 =================== 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 3/31500 10.0 664.552 1338.674 1863.096 0.000 0.000 0.000 3/31500 20.0 357.758 387.283 402.722 0.000 0.000 -0.000 3/31500 30.0 118.331 150.498 148.934 0.000 0.000 -0.000 3/31500 40.0 57.426 90.234 78.404 0.000 0.000 -0.000 3/31500 50.0 35.098 64.647 49.871 0.000 0.000 -0.000 3/31500 60.0 24.500 50.404 35.644 0.000 0.000 -0.000 3/31500 70.0 18.550 41.213 27.419 0.000 0.000 -0.000 3/31500 80.0 14.808 34.748 22.142 0.000 0.000 -0.000 3/31500 90.0 12.263 29.947 18.496 0.000 0.000 -0.000 3/31500 100.0 10.431 26.246 15.837 0.000 0.000 -0.000 3/31500 110.0 9.057 23.314 13.820 0.000 0.000 -0.000 3/31500 120.0 7.992 20.941 12.242 0.000 0.000 -0.000 3/31500 130.0 7.147 18.987 10.977 0.000 0.000 -0.000 3/31500 140.0 6.461 17.355 9.943 0.000 0.000 -0.000 3/31500 150.0 5.895 15.975 9.083 0.000 0.000 -0.000 3/31500 160.0 5.421 14.794 8.358 0.000 0.000 -0.000 3/31500 170.0 5.019 13.773 7.740 0.000 0.000 -0.000 3/31500 180.0 4.674 12.884 7.206 0.000 0.000 -0.000 3/31500 190.0 4.375 12.104 6.742 0.000 0.000 -0.000 3/31500 200.0 4.113 11.413 6.334 0.000 0.000 -0.000 3/31500 210.0 3.883 10.797 5.974 0.000 0.000 -0.000 3/31500 220.0 3.678 10.246 5.653 0.000 0.000 -0.000 3/31500 230.0 3.494 9.750 5.365 0.000 0.000 -0.000 3/31500 240.0 3.329 9.300 5.106 0.000 0.000 -0.000 3/31500 250.0 3.180 8.891 4.871 0.000 0.000 -0.000 3/31500 260.0 3.044 8.517 4.658 0.000 0.000 -0.000 3/31500 270.0 2.920 8.175 4.462 0.000 0.000 -0.000 3/31500 280.0 2.806 7.859 4.284 0.000 0.000 -0.000 3/31500 290.0 2.701 7.568 4.119 0.000 0.000 -0.000 3/31500 300.0 2.604 7.298 3.967 0.000 0.000 -0.000 3/31500 310.0 2.515 7.047 3.825 0.000 0.000 -0.000 3/31500 320.0 2.431 6.813 3.694 0.000 0.000 -0.000 3/31500 330.0 2.353 6.595 3.572 0.000 0.000 -0.000 3/31500 340.0 2.280 6.391 3.458 0.000 0.000 -0.000 3/31500 350.0 2.212 6.199 3.351 0.000 0.000 -0.000 3/31500 360.0 2.147 6.019 3.251 0.000 0.000 -0.000 3/31500 370.0 2.087 5.849 3.157 0.000 0.000 -0.000 3/31500 380.0 2.030 5.688 3.068 0.000 0.000 -0.000 3/31500 390.0 1.976 5.537 2.984 0.000 0.000 -0.000 3/31500 400.0 1.925 5.393 2.905 0.000 0.000 -0.000 3/31500 410.0 1.877 5.257 2.830 0.000 0.000 -0.000 3/31500 420.0 1.831 5.128 2.759 0.000 0.000 -0.000 3/31500 430.0 1.787 5.005 2.691 0.000 0.000 -0.000 3/31500 440.0 1.745 4.888 2.627 0.000 0.000 -0.000 3/31500 450.0 1.706 4.776 2.566 0.000 0.000 -0.000 3/31500 460.0 1.668 4.669 2.507 0.000 0.000 -0.000 3/31500 470.0 1.632 4.568 2.451 0.000 0.000 -0.000 3/31500 480.0 1.597 4.470 2.398 0.000 0.000 -0.000 3/31500 490.0 1.564 4.377 2.347 0.000 0.000 -0.000 3/31500 500.0 1.532 4.288 2.298 0.000 0.000 -0.000 3/31500 510.0 1.502 4.202 2.252 0.000 0.000 -0.000 3/31500 520.0 1.472 4.119 2.207 0.000 0.000 -0.000 3/31500 530.0 1.444 4.040 2.164 0.000 0.000 -0.000 3/31500 540.0 1.417 3.964 2.122 0.000 0.000 -0.000 3/31500 550.0 1.391 3.891 2.082 0.000 0.000 -0.000 3/31500 560.0 1.366 3.820 2.044 0.000 0.000 -0.000 3/31500 570.0 1.342 3.752 2.007 0.000 0.000 -0.000 3/31500 580.0 1.318 3.687 1.972 0.000 0.000 -0.000 3/31500 590.0 1.296 3.623 1.937 0.000 0.000 -0.000 3/31500 600.0 1.274 3.562 1.904 0.000 0.000 -0.000 3/31500 610.0 1.253 3.503 1.872 0.000 0.000 -0.000 3/31500 620.0 1.233 3.446 1.841 0.000 0.000 -0.000 3/31500 630.0 1.213 3.390 1.811 0.000 0.000 -0.000 3/31500 640.0 1.194 3.337 1.782 0.000 0.000 -0.000 3/31500 650.0 1.175 3.285 1.754 0.000 0.000 -0.000 3/31500 660.0 1.157 3.235 1.727 0.000 0.000 -0.000 3/31500 670.0 1.140 3.186 1.701 0.000 0.000 -0.000 3/31500 680.0 1.123 3.139 1.675 0.000 0.000 -0.000 3/31500 690.0 1.107 3.093 1.651 0.000 0.000 -0.000 3/31500 700.0 1.091 3.048 1.627 0.000 0.000 -0.000 3/31500 710.0 1.075 3.005 1.603 0.000 0.000 -0.000 3/31500 720.0 1.060 2.963 1.581 0.000 0.000 -0.000 3/31500 730.0 1.046 2.922 1.559 0.000 0.000 -0.000 3/31500 740.0 1.032 2.882 1.537 0.000 0.000 -0.000 3/31500 750.0 1.018 2.843 1.516 0.000 0.000 -0.000 3/31500 760.0 1.004 2.806 1.496 0.000 0.000 -0.000 3/31500 770.0 0.991 2.769 1.476 0.000 0.000 -0.000 3/31500 780.0 0.979 2.733 1.457 0.000 0.000 -0.000 3/31500 790.0 0.966 2.699 1.438 0.000 0.000 -0.000 3/31500 800.0 0.954 2.665 1.420 0.000 0.000 -0.000 3/31500 810.0 0.942 2.632 1.402 0.000 0.000 -0.000 3/31500 820.0 0.931 2.599 1.385 0.000 0.000 -0.000 3/31500 830.0 0.919 2.568 1.368 0.000 0.000 -0.000 3/31500 840.0 0.909 2.537 1.352 0.000 0.000 -0.000 3/31500 850.0 0.898 2.507 1.336 0.000 0.000 -0.000 3/31500 860.0 0.887 2.478 1.320 0.000 0.000 -0.000 3/31500 870.0 0.877 2.449 1.305 0.000 0.000 -0.000 3/31500 880.0 0.867 2.421 1.290 0.000 0.000 -0.000 3/31500 890.0 0.857 2.394 1.275 0.000 0.000 -0.000 3/31500 900.0 0.848 2.367 1.261 0.000 0.000 -0.000 3/31500 910.0 0.839 2.341 1.247 0.000 0.000 -0.000 3/31500 920.0 0.829 2.316 1.233 0.000 0.000 -0.000 3/31500 930.0 0.820 2.291 1.220 0.000 0.000 -0.000 3/31500 940.0 0.812 2.266 1.206 0.000 0.000 -0.000 3/31500 950.0 0.803 2.242 1.194 0.000 0.000 -0.000 3/31500 960.0 0.795 2.219 1.181 0.000 0.000 -0.000 3/31500 970.0 0.787 2.196 1.169 0.000 0.000 -0.000 3/31500 980.0 0.779 2.173 1.157 0.000 0.000 -0.000 3/31500 990.0 0.771 2.151 1.145 0.000 0.000 -0.000 3/31500 1000.0 0.763 2.130 1.133 0.000 0.000 -0.000 3/31500 Thermal conductivity related properties were written into "kappa-m5155.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:37:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|