----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:42:19]------------------------- 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: [3 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.669392559999999 5.388748494999999 7.246209769999999 b 2.669392559999999 -5.388748494999999 7.246209769999999 c 2.669392559999999 5.388748494999999 -7.246209769999999 Atomic positions (fractional): *1 Mn 0.49668708327176 0.25000000000000 0.24668708327176 54.938 2 Mn 0.00331291672824 0.25000000000000 0.75331291672824 54.938 3 Mn 0.50331291672824 0.75000000000000 0.75331291672824 54.938 *4 Mn 0.75000000000000 0.75000000000000 0.00000000000000 54.938 5 Mn 0.25000000000000 0.25000000000000 0.00000000000000 54.938 6 Mn 0.99668708327176 0.75000000000000 0.24668708327176 54.938 *7 Se 0.21405811536810 0.59109055403436 0.12631320438259 78.960 8 Se 0.28594188463190 0.41225508901449 0.37703243866627 78.960 9 Se 0.03522265034822 0.90890944596563 0.62296756133373 78.960 10 Se 0.46477734965178 0.08774491098551 0.87368679561741 78.960 11 Se 0.78594188463190 0.40890944596563 0.87368679561741 78.960 12 Se 0.71405811536810 0.58774491098551 0.62296756133373 78.960 13 Se 0.96477734965178 0.09109055403436 0.37703243866627 78.960 14 Se 0.53522265034822 0.91225508901449 0.12631320438259 78.960 *15 Cs 0.12496525170640 0.75343843380034 0.87840368550674 132.905 16 Cs 0.37503474829360 0.25343843380034 0.62847318209394 132.905 17 Cs 0.62496525170640 0.74656156619966 0.37152681790606 132.905 18 Cs 0.87503474829360 0.24656156619966 0.12159631449326 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.338785119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.777496989999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.492419539999998 Atomic positions (fractional): *1 Mn 0.50000000000000 0.74668708327176 0.75000000000000 54.938 > 1 2 Mn 0.50000000000000 0.25331291672824 0.75000000000000 54.938 > 2 3 Mn 0.50000000000000 0.25331291672824 0.25000000000000 54.938 > 3 *4 Mn 0.50000000000000 0.50000000000000 0.25000000000000 54.938 > 4 5 Mn 0.50000000000000 0.50000000000000 0.75000000000000 54.938 > 5 6 Mn 0.50000000000000 0.74668708327176 0.25000000000000 54.938 > 6 7 Mn 0.00000000000000 0.24668708327176 0.25000000000000 54.938 > 1 8 Mn 0.00000000000000 0.75331291672824 0.25000000000000 54.938 > 2 9 Mn 0.00000000000000 0.75331291672824 0.75000000000000 54.938 > 3 10 Mn 0.00000000000000 0.00000000000000 0.75000000000000 54.938 > 4 11 Mn 0.00000000000000 0.00000000000000 0.25000000000000 54.938 > 5 12 Mn 0.00000000000000 0.24668708327176 0.75000000000000 54.938 > 6 *13 Se 0.75167282152443 0.37464038285816 0.83941773250994 78.960 > 7 14 Se 0.75167282152443 0.62535961714184 0.66058226749006 78.960 > 8 15 Se 0.24832717847557 0.37464038285816 0.66058226749006 78.960 > 9 16 Se 0.24832717847557 0.62535961714184 0.83941773250994 78.960 > 10 17 Se 0.24832717847557 0.62535961714184 0.16058226749006 78.960 > 11 18 Se 0.24832717847557 0.37464038285816 0.33941773250994 78.960 > 12 19 Se 0.75167282152443 0.62535961714184 0.33941773250994 78.960 > 13 20 Se 0.75167282152443 0.37464038285816 0.16058226749006 78.960 > 14 21 Se 0.25167282152443 0.87464038285816 0.33941773250994 78.960 > 7 22 Se 0.25167282152443 0.12535961714184 0.16058226749006 78.960 > 8 23 Se 0.74832717847557 0.87464038285816 0.16058226749006 78.960 > 9 24 Se 0.74832717847557 0.12535961714184 0.33941773250994 78.960 > 10 25 Se 0.74832717847557 0.12535961714184 0.66058226749006 78.960 > 11 26 Se 0.74832717847557 0.87464038285816 0.83941773250994 78.960 > 12 27 Se 0.25167282152443 0.12535961714184 0.83941773250994 78.960 > 13 28 Se 0.25167282152443 0.87464038285816 0.66058226749006 78.960 > 14 *29 Cs 0.75343843380034 0.12496525170640 0.00000000000000 132.905 > 15 30 Cs 0.25343843380034 0.37503474829360 0.00000000000000 132.905 > 16 31 Cs 0.74656156619966 0.62496525170640 0.00000000000000 132.905 > 17 32 Cs 0.24656156619966 0.87503474829360 0.00000000000000 132.905 > 18 33 Cs 0.25343843380034 0.62496525170640 0.50000000000000 132.905 > 15 34 Cs 0.75343843380034 0.87503474829360 0.50000000000000 132.905 > 16 35 Cs 0.24656156619966 0.12496525170640 0.50000000000000 132.905 > 17 36 Cs 0.74656156619966 0.37503474829360 0.50000000000000 132.905 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.016355359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.777496989999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.492419539999998 Atomic positions (fractional): *1 Mn 0.16666666666667 0.74668708327176 0.75000000000000 54.938 > 1 2 Mn 0.50000000000000 0.74668708327176 0.75000000000000 54.938 > 1 3 Mn 0.83333333333333 0.74668708327176 0.75000000000000 54.938 > 1 4 Mn 0.16666666666667 0.25331291672824 0.75000000000000 54.938 > 2 5 Mn 0.50000000000000 0.25331291672824 0.75000000000000 54.938 > 2 6 Mn 0.83333333333333 0.25331291672824 0.75000000000000 54.938 > 2 7 Mn 0.16666666666667 0.25331291672824 0.25000000000000 54.938 > 3 8 Mn 0.50000000000000 0.25331291672824 0.25000000000000 54.938 > 3 9 Mn 0.83333333333333 0.25331291672824 0.25000000000000 54.938 > 3 *10 Mn 0.16666666666667 0.50000000000000 0.25000000000000 54.938 > 4 11 Mn 0.50000000000000 0.50000000000000 0.25000000000000 54.938 > 4 12 Mn 0.83333333333333 0.50000000000000 0.25000000000000 54.938 > 4 13 Mn 0.16666666666667 0.50000000000000 0.75000000000000 54.938 > 5 14 Mn 0.50000000000000 0.50000000000000 0.75000000000000 54.938 > 5 15 Mn 0.83333333333333 0.50000000000000 0.75000000000000 54.938 > 5 16 Mn 0.16666666666667 0.74668708327176 0.25000000000000 54.938 > 6 17 Mn 0.50000000000000 0.74668708327176 0.25000000000000 54.938 > 6 18 Mn 0.83333333333333 0.74668708327176 0.25000000000000 54.938 > 6 19 Mn 0.00000000000000 0.24668708327176 0.25000000000000 54.938 > 1 20 Mn 0.33333333333333 0.24668708327176 0.25000000000000 54.938 > 1 21 Mn 0.66666666666667 0.24668708327176 0.25000000000000 54.938 > 1 22 Mn 0.00000000000000 0.75331291672824 0.25000000000000 54.938 > 2 23 Mn 0.33333333333333 0.75331291672824 0.25000000000000 54.938 > 2 24 Mn 0.66666666666667 0.75331291672824 0.25000000000000 54.938 > 2 25 Mn 0.00000000000000 0.75331291672824 0.75000000000000 54.938 > 3 26 Mn 0.33333333333333 0.75331291672824 0.75000000000000 54.938 > 3 27 Mn 0.66666666666667 0.75331291672824 0.75000000000000 54.938 > 3 28 Mn 0.00000000000000 0.00000000000000 0.75000000000000 54.938 > 4 29 Mn 0.33333333333333 0.00000000000000 0.75000000000000 54.938 > 4 30 Mn 0.66666666666667 0.00000000000000 0.75000000000000 54.938 > 4 31 Mn 0.00000000000000 0.00000000000000 0.25000000000000 54.938 > 5 32 Mn 0.33333333333333 0.00000000000000 0.25000000000000 54.938 > 5 33 Mn 0.66666666666667 0.00000000000000 0.25000000000000 54.938 > 5 34 Mn 0.00000000000000 0.24668708327176 0.75000000000000 54.938 > 6 35 Mn 0.33333333333333 0.24668708327176 0.75000000000000 54.938 > 6 36 Mn 0.66666666666667 0.24668708327176 0.75000000000000 54.938 > 6 *37 Se 0.25055760717481 0.37464038285816 0.83941773250994 78.960 > 7 38 Se 0.58389094050814 0.37464038285816 0.83941773250994 78.960 > 7 39 Se 0.91722427384148 0.37464038285816 0.83941773250994 78.960 > 7 40 Se 0.25055760717481 0.62535961714184 0.66058226749006 78.960 > 8 41 Se 0.58389094050814 0.62535961714184 0.66058226749006 78.960 > 8 42 Se 0.91722427384148 0.62535961714184 0.66058226749006 78.960 > 8 43 Se 0.08277572615852 0.37464038285816 0.66058226749006 78.960 > 9 44 Se 0.41610905949186 0.37464038285816 0.66058226749006 78.960 > 9 45 Se 0.74944239282519 0.37464038285816 0.66058226749006 78.960 > 9 46 Se 0.08277572615852 0.62535961714184 0.83941773250994 78.960 > 10 47 Se 0.41610905949186 0.62535961714184 0.83941773250994 78.960 > 10 48 Se 0.74944239282519 0.62535961714184 0.83941773250994 78.960 > 10 49 Se 0.08277572615852 0.62535961714184 0.16058226749006 78.960 > 11 50 Se 0.41610905949186 0.62535961714184 0.16058226749006 78.960 > 11 51 Se 0.74944239282519 0.62535961714184 0.16058226749006 78.960 > 11 52 Se 0.08277572615852 0.37464038285816 0.33941773250994 78.960 > 12 53 Se 0.41610905949186 0.37464038285816 0.33941773250994 78.960 > 12 54 Se 0.74944239282519 0.37464038285816 0.33941773250994 78.960 > 12 55 Se 0.25055760717481 0.62535961714184 0.33941773250994 78.960 > 13 56 Se 0.58389094050814 0.62535961714184 0.33941773250994 78.960 > 13 57 Se 0.91722427384148 0.62535961714184 0.33941773250994 78.960 > 13 58 Se 0.25055760717481 0.37464038285816 0.16058226749006 78.960 > 14 59 Se 0.58389094050814 0.37464038285816 0.16058226749006 78.960 > 14 60 Se 0.91722427384148 0.37464038285816 0.16058226749006 78.960 > 14 61 Se 0.08389094050814 0.87464038285816 0.33941773250994 78.960 > 7 62 Se 0.41722427384148 0.87464038285816 0.33941773250994 78.960 > 7 63 Se 0.75055760717481 0.87464038285816 0.33941773250994 78.960 > 7 64 Se 0.08389094050814 0.12535961714184 0.16058226749006 78.960 > 8 65 Se 0.41722427384148 0.12535961714184 0.16058226749006 78.960 > 8 66 Se 0.75055760717481 0.12535961714184 0.16058226749006 78.960 > 8 67 Se 0.24944239282519 0.87464038285816 0.16058226749006 78.960 > 9 68 Se 0.58277572615852 0.87464038285816 0.16058226749006 78.960 > 9 69 Se 0.91610905949186 0.87464038285816 0.16058226749006 78.960 > 9 70 Se 0.24944239282519 0.12535961714184 0.33941773250994 78.960 > 10 71 Se 0.58277572615852 0.12535961714184 0.33941773250994 78.960 > 10 72 Se 0.91610905949186 0.12535961714184 0.33941773250994 78.960 > 10 73 Se 0.24944239282519 0.12535961714184 0.66058226749006 78.960 > 11 74 Se 0.58277572615852 0.12535961714184 0.66058226749006 78.960 > 11 75 Se 0.91610905949186 0.12535961714184 0.66058226749006 78.960 > 11 76 Se 0.24944239282519 0.87464038285816 0.83941773250994 78.960 > 12 77 Se 0.58277572615852 0.87464038285816 0.83941773250994 78.960 > 12 78 Se 0.91610905949186 0.87464038285816 0.83941773250994 78.960 > 12 79 Se 0.08389094050814 0.12535961714184 0.83941773250994 78.960 > 13 80 Se 0.41722427384148 0.12535961714184 0.83941773250994 78.960 > 13 81 Se 0.75055760717481 0.12535961714184 0.83941773250994 78.960 > 13 82 Se 0.08389094050814 0.87464038285816 0.66058226749006 78.960 > 14 83 Se 0.41722427384148 0.87464038285816 0.66058226749006 78.960 > 14 84 Se 0.75055760717481 0.87464038285816 0.66058226749006 78.960 > 14 *85 Cs 0.25114614460011 0.12496525170640 0.00000000000000 132.905 > 15 86 Cs 0.58447947793345 0.12496525170640 0.00000000000000 132.905 > 15 87 Cs 0.91781281126678 0.12496525170640 0.00000000000000 132.905 > 15 88 Cs 0.08447947793345 0.37503474829360 0.00000000000000 132.905 > 16 89 Cs 0.41781281126678 0.37503474829360 0.00000000000000 132.905 > 16 90 Cs 0.75114614460011 0.37503474829360 0.00000000000000 132.905 > 16 91 Cs 0.24885385539989 0.62496525170640 0.00000000000000 132.905 > 17 92 Cs 0.58218718873322 0.62496525170640 0.00000000000000 132.905 > 17 93 Cs 0.91552052206655 0.62496525170640 0.00000000000000 132.905 > 17 94 Cs 0.08218718873322 0.87503474829360 0.00000000000000 132.905 > 18 95 Cs 0.41552052206655 0.87503474829360 0.00000000000000 132.905 > 18 96 Cs 0.74885385539989 0.87503474829360 0.00000000000000 132.905 > 18 97 Cs 0.08447947793345 0.62496525170640 0.50000000000000 132.905 > 15 98 Cs 0.41781281126678 0.62496525170640 0.50000000000000 132.905 > 15 99 Cs 0.75114614460011 0.62496525170640 0.50000000000000 132.905 > 15 100 Cs 0.25114614460011 0.87503474829360 0.50000000000000 132.905 > 16 101 Cs 0.58447947793345 0.87503474829360 0.50000000000000 132.905 > 16 102 Cs 0.91781281126678 0.87503474829360 0.50000000000000 132.905 > 16 103 Cs 0.08218718873322 0.12496525170640 0.50000000000000 132.905 > 17 104 Cs 0.41552052206655 0.12496525170640 0.50000000000000 132.905 > 17 105 Cs 0.74885385539989 0.12496525170640 0.50000000000000 132.905 > 17 106 Cs 0.24885385539989 0.37503474829360 0.50000000000000 132.905 > 18 107 Cs 0.58218718873322 0.37503474829360 0.50000000000000 132.905 > 18 108 Cs 0.91552052206655 0.37503474829360 0.50000000000000 132.905 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 72.7465115 0.0000000 0.0000000 0.0000000 75.8986800 0.0000000 0.0000000 0.0000000 28.2312955 -------------------------- Born effective charges -------------------------- 1 Mn -4.2348068 0.0000000 1.4520801 0.0000000 -1.4902453 0.0000000 0.2407504 0.0000000 -0.6593121 2 Mn -4.2348068 0.0000000 -1.4520801 0.0000000 -1.4902453 0.0000000 -0.2407504 0.0000000 -0.6593121 3 Mn -4.2348068 0.0000000 1.4520801 0.0000000 -1.4902453 0.0000000 0.2407504 0.0000000 -0.6593121 4 Mn -2.5463001 0.0000000 0.0000000 0.0000000 -6.1136265 0.0000000 0.0000000 0.0000000 -1.5251455 5 Mn -2.5463001 0.0000000 0.0000000 0.0000000 -6.1136265 0.0000000 0.0000000 0.0000000 -1.5251455 6 Mn -4.2348068 0.0000000 -1.4520801 0.0000000 -1.4902453 0.0000000 -0.2407504 0.0000000 -0.6593121 7 Se 2.5439971 -0.5134795 1.4203802 -1.2591732 1.7065047 -1.2122430 0.0414912 -0.1003853 -0.3266320 8 Se 2.5439971 0.5134795 -1.4203802 1.2591732 1.7065047 -1.2122430 -0.0414912 -0.1003853 -0.3266320 9 Se 2.5439971 0.5134795 1.4203802 1.2591732 1.7065047 1.2122430 0.0414912 0.1003853 -0.3266320 10 Se 2.5439971 -0.5134795 -1.4203802 -1.2591732 1.7065047 1.2122430 -0.0414912 0.1003853 -0.3266320 11 Se 2.5439971 -0.5134795 1.4203802 -1.2591732 1.7065047 -1.2122430 0.0414912 -0.1003853 -0.3266320 12 Se 2.5439971 0.5134795 -1.4203802 1.2591732 1.7065047 -1.2122430 -0.0414912 -0.1003853 -0.3266320 13 Se 2.5439971 0.5134795 1.4203802 1.2591732 1.7065047 1.2122430 0.0414912 0.1003853 -0.3266320 14 Se 2.5439971 -0.5134795 -1.4203802 -1.2591732 1.7065047 1.2122430 -0.0414912 0.1003853 -0.3266320 15 Cs 0.4199626 -0.1295835 0.0000000 -0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 16 Cs 0.4199626 0.1295835 0.0000000 0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 17 Cs 0.4199626 0.1295835 0.0000000 0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 18 Cs 0.4199626 -0.1295835 0.0000000 -0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 10449/10449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1214 Number of blocks in projector: 1214 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: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 170 Use standard eigh solver. Tree of FC basis block matrices: - (1214, 1192), data: False |-- (170, 166), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (224, 222), data: True |-- (236, 232), data: True |-- (244, 240), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 1.358 Solver_block: 200 / 320 - Time: 1.360 Solver_block: 300 / 320 - Time: 1.355 Solver_block: 320 / 320 - Time: 0.342 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.589 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 10449/10449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1214 Number of blocks in projector: 1214 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: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 170 Use standard eigh solver. Tree of FC basis block matrices: - (1214, 1192), data: False |-- (170, 166), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (224, 222), data: True |-- (236, 232), data: True |-- (244, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:42:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:42:38]------------------------- 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): [3 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.669392559999999 5.388748494999999 7.246209769999999 b 2.669392559999999 -5.388748494999999 7.246209769999999 c 2.669392559999999 5.388748494999999 -7.246209769999999 Atomic positions (fractional): 1 Mn 0.49668708327176 0.25000000000000 0.24668708327176 54.938 2 Mn 0.00331291672824 0.25000000000000 0.75331291672824 54.938 3 Mn 0.50331291672824 0.75000000000000 0.75331291672824 54.938 4 Mn 0.75000000000000 0.75000000000000 0.00000000000000 54.938 5 Mn 0.25000000000000 0.25000000000000 0.00000000000000 54.938 6 Mn 0.99668708327176 0.75000000000000 0.24668708327176 54.938 7 Se 0.21405811536810 0.59109055403436 0.12631320438259 78.960 8 Se 0.28594188463190 0.41225508901449 0.37703243866627 78.960 9 Se 0.03522265034822 0.90890944596563 0.62296756133373 78.960 10 Se 0.46477734965178 0.08774491098551 0.87368679561741 78.960 11 Se 0.78594188463190 0.40890944596563 0.87368679561741 78.960 12 Se 0.71405811536810 0.58774491098551 0.62296756133373 78.960 13 Se 0.96477734965178 0.09109055403436 0.37703243866627 78.960 14 Se 0.53522265034822 0.91225508901449 0.12631320438259 78.960 15 Cs 0.12496525170640 0.75343843380034 0.87840368550674 132.905 16 Cs 0.37503474829360 0.25343843380034 0.62847318209394 132.905 17 Cs 0.62496525170640 0.74656156619966 0.37152681790606 132.905 18 Cs 0.87503474829360 0.24656156619966 0.12159631449326 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.016355359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.777496989999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.492419539999998 Atomic positions (fractional): 1 Mn 0.16666666666667 0.74668708327176 0.75000000000000 54.938 > 1 2 Mn 0.50000000000000 0.74668708327176 0.75000000000000 54.938 > 1 3 Mn 0.83333333333333 0.74668708327176 0.75000000000000 54.938 > 1 4 Mn 0.16666666666667 0.25331291672824 0.75000000000000 54.938 > 4 5 Mn 0.50000000000000 0.25331291672824 0.75000000000000 54.938 > 4 6 Mn 0.83333333333333 0.25331291672824 0.75000000000000 54.938 > 4 7 Mn 0.16666666666667 0.25331291672824 0.25000000000000 54.938 > 7 8 Mn 0.50000000000000 0.25331291672824 0.25000000000000 54.938 > 7 9 Mn 0.83333333333333 0.25331291672824 0.25000000000000 54.938 > 7 10 Mn 0.16666666666667 0.50000000000000 0.25000000000000 54.938 > 10 11 Mn 0.50000000000000 0.50000000000000 0.25000000000000 54.938 > 10 12 Mn 0.83333333333333 0.50000000000000 0.25000000000000 54.938 > 10 13 Mn 0.16666666666667 0.50000000000000 0.75000000000000 54.938 > 13 14 Mn 0.50000000000000 0.50000000000000 0.75000000000000 54.938 > 13 15 Mn 0.83333333333333 0.50000000000000 0.75000000000000 54.938 > 13 16 Mn 0.16666666666667 0.74668708327176 0.25000000000000 54.938 > 16 17 Mn 0.50000000000000 0.74668708327176 0.25000000000000 54.938 > 16 18 Mn 0.83333333333333 0.74668708327176 0.25000000000000 54.938 > 16 19 Mn 0.00000000000000 0.24668708327176 0.25000000000000 54.938 > 1 20 Mn 0.33333333333333 0.24668708327176 0.25000000000000 54.938 > 1 21 Mn 0.66666666666667 0.24668708327176 0.25000000000000 54.938 > 1 22 Mn 0.00000000000000 0.75331291672824 0.25000000000000 54.938 > 4 23 Mn 0.33333333333333 0.75331291672824 0.25000000000000 54.938 > 4 24 Mn 0.66666666666667 0.75331291672824 0.25000000000000 54.938 > 4 25 Mn 0.00000000000000 0.75331291672824 0.75000000000000 54.938 > 7 26 Mn 0.33333333333333 0.75331291672824 0.75000000000000 54.938 > 7 27 Mn 0.66666666666667 0.75331291672824 0.75000000000000 54.938 > 7 28 Mn 0.00000000000000 0.00000000000000 0.75000000000000 54.938 > 10 29 Mn 0.33333333333333 0.00000000000000 0.75000000000000 54.938 > 10 30 Mn 0.66666666666667 0.00000000000000 0.75000000000000 54.938 > 10 31 Mn 0.00000000000000 0.00000000000000 0.25000000000000 54.938 > 13 32 Mn 0.33333333333333 0.00000000000000 0.25000000000000 54.938 > 13 33 Mn 0.66666666666667 0.00000000000000 0.25000000000000 54.938 > 13 34 Mn 0.00000000000000 0.24668708327176 0.75000000000000 54.938 > 16 35 Mn 0.33333333333333 0.24668708327176 0.75000000000000 54.938 > 16 36 Mn 0.66666666666667 0.24668708327176 0.75000000000000 54.938 > 16 37 Se 0.25055760717481 0.37464038285816 0.83941773250994 78.960 > 37 38 Se 0.58389094050814 0.37464038285816 0.83941773250994 78.960 > 37 39 Se 0.91722427384148 0.37464038285816 0.83941773250994 78.960 > 37 40 Se 0.25055760717481 0.62535961714184 0.66058226749006 78.960 > 40 41 Se 0.58389094050814 0.62535961714184 0.66058226749006 78.960 > 40 42 Se 0.91722427384148 0.62535961714184 0.66058226749006 78.960 > 40 43 Se 0.08277572615852 0.37464038285816 0.66058226749006 78.960 > 43 44 Se 0.41610905949186 0.37464038285816 0.66058226749006 78.960 > 43 45 Se 0.74944239282519 0.37464038285816 0.66058226749006 78.960 > 43 46 Se 0.08277572615852 0.62535961714184 0.83941773250994 78.960 > 46 47 Se 0.41610905949186 0.62535961714184 0.83941773250994 78.960 > 46 48 Se 0.74944239282519 0.62535961714184 0.83941773250994 78.960 > 46 49 Se 0.08277572615852 0.62535961714184 0.16058226749006 78.960 > 49 50 Se 0.41610905949186 0.62535961714184 0.16058226749006 78.960 > 49 51 Se 0.74944239282519 0.62535961714184 0.16058226749006 78.960 > 49 52 Se 0.08277572615852 0.37464038285816 0.33941773250994 78.960 > 52 53 Se 0.41610905949186 0.37464038285816 0.33941773250994 78.960 > 52 54 Se 0.74944239282519 0.37464038285816 0.33941773250994 78.960 > 52 55 Se 0.25055760717481 0.62535961714184 0.33941773250994 78.960 > 55 56 Se 0.58389094050814 0.62535961714184 0.33941773250994 78.960 > 55 57 Se 0.91722427384148 0.62535961714184 0.33941773250994 78.960 > 55 58 Se 0.25055760717481 0.37464038285816 0.16058226749006 78.960 > 58 59 Se 0.58389094050814 0.37464038285816 0.16058226749006 78.960 > 58 60 Se 0.91722427384148 0.37464038285816 0.16058226749006 78.960 > 58 61 Se 0.08389094050814 0.87464038285816 0.33941773250994 78.960 > 37 62 Se 0.41722427384148 0.87464038285816 0.33941773250994 78.960 > 37 63 Se 0.75055760717481 0.87464038285816 0.33941773250994 78.960 > 37 64 Se 0.08389094050814 0.12535961714184 0.16058226749006 78.960 > 40 65 Se 0.41722427384148 0.12535961714184 0.16058226749006 78.960 > 40 66 Se 0.75055760717481 0.12535961714184 0.16058226749006 78.960 > 40 67 Se 0.24944239282519 0.87464038285816 0.16058226749006 78.960 > 43 68 Se 0.58277572615852 0.87464038285816 0.16058226749006 78.960 > 43 69 Se 0.91610905949186 0.87464038285816 0.16058226749006 78.960 > 43 70 Se 0.24944239282519 0.12535961714184 0.33941773250994 78.960 > 46 71 Se 0.58277572615852 0.12535961714184 0.33941773250994 78.960 > 46 72 Se 0.91610905949186 0.12535961714184 0.33941773250994 78.960 > 46 73 Se 0.24944239282519 0.12535961714184 0.66058226749006 78.960 > 49 74 Se 0.58277572615852 0.12535961714184 0.66058226749006 78.960 > 49 75 Se 0.91610905949186 0.12535961714184 0.66058226749006 78.960 > 49 76 Se 0.24944239282519 0.87464038285816 0.83941773250994 78.960 > 52 77 Se 0.58277572615852 0.87464038285816 0.83941773250994 78.960 > 52 78 Se 0.91610905949186 0.87464038285816 0.83941773250994 78.960 > 52 79 Se 0.08389094050814 0.12535961714184 0.83941773250994 78.960 > 55 80 Se 0.41722427384148 0.12535961714184 0.83941773250994 78.960 > 55 81 Se 0.75055760717481 0.12535961714184 0.83941773250994 78.960 > 55 82 Se 0.08389094050814 0.87464038285816 0.66058226749006 78.960 > 58 83 Se 0.41722427384148 0.87464038285816 0.66058226749006 78.960 > 58 84 Se 0.75055760717481 0.87464038285816 0.66058226749006 78.960 > 58 85 Cs 0.25114614460011 0.12496525170640 0.00000000000000 132.905 > 85 86 Cs 0.58447947793345 0.12496525170640 0.00000000000000 132.905 > 85 87 Cs 0.91781281126678 0.12496525170640 0.00000000000000 132.905 > 85 88 Cs 0.08447947793345 0.37503474829360 0.00000000000000 132.905 > 88 89 Cs 0.41781281126678 0.37503474829360 0.00000000000000 132.905 > 88 90 Cs 0.75114614460011 0.37503474829360 0.00000000000000 132.905 > 88 91 Cs 0.24885385539989 0.62496525170640 0.00000000000000 132.905 > 91 92 Cs 0.58218718873322 0.62496525170640 0.00000000000000 132.905 > 91 93 Cs 0.91552052206655 0.62496525170640 0.00000000000000 132.905 > 91 94 Cs 0.08218718873322 0.87503474829360 0.00000000000000 132.905 > 94 95 Cs 0.41552052206655 0.87503474829360 0.00000000000000 132.905 > 94 96 Cs 0.74885385539989 0.87503474829360 0.00000000000000 132.905 > 94 97 Cs 0.08447947793345 0.62496525170640 0.50000000000000 132.905 > 85 98 Cs 0.41781281126678 0.62496525170640 0.50000000000000 132.905 > 85 99 Cs 0.75114614460011 0.62496525170640 0.50000000000000 132.905 > 85 100 Cs 0.25114614460011 0.87503474829360 0.50000000000000 132.905 > 88 101 Cs 0.58447947793345 0.87503474829360 0.50000000000000 132.905 > 88 102 Cs 0.91781281126678 0.87503474829360 0.50000000000000 132.905 > 88 103 Cs 0.08218718873322 0.12496525170640 0.50000000000000 132.905 > 91 104 Cs 0.41552052206655 0.12496525170640 0.50000000000000 132.905 > 91 105 Cs 0.74885385539989 0.12496525170640 0.50000000000000 132.905 > 91 106 Cs 0.24885385539989 0.37503474829360 0.50000000000000 132.905 > 94 107 Cs 0.58218718873322 0.37503474829360 0.50000000000000 132.905 > 94 108 Cs 0.91552052206655 0.37503474829360 0.50000000000000 132.905 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 72.7465115 0.0000000 0.0000000 0.0000000 75.8986800 0.0000000 0.0000000 0.0000000 28.2312955 -------------------------- Born effective charges -------------------------- 1 Mn -4.2348068 0.0000000 1.4520801 0.0000000 -1.4902453 0.0000000 0.2407504 0.0000000 -0.6593121 2 Mn -4.2348068 0.0000000 -1.4520801 0.0000000 -1.4902453 0.0000000 -0.2407504 0.0000000 -0.6593121 3 Mn -4.2348068 0.0000000 1.4520801 0.0000000 -1.4902453 0.0000000 0.2407504 0.0000000 -0.6593121 4 Mn -2.5463001 0.0000000 0.0000000 0.0000000 -6.1136265 0.0000000 0.0000000 0.0000000 -1.5251455 5 Mn -2.5463001 0.0000000 0.0000000 0.0000000 -6.1136265 0.0000000 0.0000000 0.0000000 -1.5251455 6 Mn -4.2348068 0.0000000 -1.4520801 0.0000000 -1.4902453 0.0000000 -0.2407504 0.0000000 -0.6593121 7 Se 2.5439971 -0.5134795 1.4203802 -1.2591732 1.7065047 -1.2122430 0.0414912 -0.1003853 -0.3266320 8 Se 2.5439971 0.5134795 -1.4203802 1.2591732 1.7065047 -1.2122430 -0.0414912 -0.1003853 -0.3266320 9 Se 2.5439971 0.5134795 1.4203802 1.2591732 1.7065047 1.2122430 0.0414912 0.1003853 -0.3266320 10 Se 2.5439971 -0.5134795 -1.4203802 -1.2591732 1.7065047 1.2122430 -0.0414912 0.1003853 -0.3266320 11 Se 2.5439971 -0.5134795 1.4203802 -1.2591732 1.7065047 -1.2122430 0.0414912 -0.1003853 -0.3266320 12 Se 2.5439971 0.5134795 -1.4203802 1.2591732 1.7065047 -1.2122430 -0.0414912 -0.1003853 -0.3266320 13 Se 2.5439971 0.5134795 1.4203802 1.2591732 1.7065047 1.2122430 0.0414912 0.1003853 -0.3266320 14 Se 2.5439971 -0.5134795 -1.4203802 -1.2591732 1.7065047 1.2122430 -0.0414912 0.1003853 -0.3266320 15 Cs 0.4199626 -0.1295835 0.0000000 -0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 16 Cs 0.4199626 0.1295835 0.0000000 0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 17 Cs 0.4199626 0.1295835 0.0000000 0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 18 Cs 0.4199626 -0.1295835 0.0000000 -0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 ---------------------------------------------------------------------------- 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[ 10, 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[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:42:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:42:53]------------------------- 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): [3 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.669392559999999 5.388748494999999 7.246209769999999 b 2.669392559999999 -5.388748494999999 7.246209769999999 c 2.669392559999999 5.388748494999999 -7.246209769999999 Atomic positions (fractional): 1 Mn 0.49668708327176 0.25000000000000 0.24668708327176 54.938 2 Mn 0.00331291672824 0.25000000000000 0.75331291672824 54.938 3 Mn 0.50331291672824 0.75000000000000 0.75331291672824 54.938 4 Mn 0.75000000000000 0.75000000000000 0.00000000000000 54.938 5 Mn 0.25000000000000 0.25000000000000 0.00000000000000 54.938 6 Mn 0.99668708327176 0.75000000000000 0.24668708327176 54.938 7 Se 0.21405811536810 0.59109055403436 0.12631320438259 78.960 8 Se 0.28594188463190 0.41225508901449 0.37703243866627 78.960 9 Se 0.03522265034822 0.90890944596563 0.62296756133373 78.960 10 Se 0.46477734965178 0.08774491098551 0.87368679561741 78.960 11 Se 0.78594188463190 0.40890944596563 0.87368679561741 78.960 12 Se 0.71405811536810 0.58774491098551 0.62296756133373 78.960 13 Se 0.96477734965178 0.09109055403436 0.37703243866627 78.960 14 Se 0.53522265034822 0.91225508901449 0.12631320438259 78.960 15 Cs 0.12496525170640 0.75343843380034 0.87840368550674 132.905 16 Cs 0.37503474829360 0.25343843380034 0.62847318209394 132.905 17 Cs 0.62496525170640 0.74656156619966 0.37152681790606 132.905 18 Cs 0.87503474829360 0.24656156619966 0.12159631449326 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.016355359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.777496989999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.492419539999998 Atomic positions (fractional): 1 Mn 0.16666666666667 0.74668708327176 0.75000000000000 54.938 > 1 2 Mn 0.50000000000000 0.74668708327176 0.75000000000000 54.938 > 1 3 Mn 0.83333333333333 0.74668708327176 0.75000000000000 54.938 > 1 4 Mn 0.16666666666667 0.25331291672824 0.75000000000000 54.938 > 4 5 Mn 0.50000000000000 0.25331291672824 0.75000000000000 54.938 > 4 6 Mn 0.83333333333333 0.25331291672824 0.75000000000000 54.938 > 4 7 Mn 0.16666666666667 0.25331291672824 0.25000000000000 54.938 > 7 8 Mn 0.50000000000000 0.25331291672824 0.25000000000000 54.938 > 7 9 Mn 0.83333333333333 0.25331291672824 0.25000000000000 54.938 > 7 10 Mn 0.16666666666667 0.50000000000000 0.25000000000000 54.938 > 10 11 Mn 0.50000000000000 0.50000000000000 0.25000000000000 54.938 > 10 12 Mn 0.83333333333333 0.50000000000000 0.25000000000000 54.938 > 10 13 Mn 0.16666666666667 0.50000000000000 0.75000000000000 54.938 > 13 14 Mn 0.50000000000000 0.50000000000000 0.75000000000000 54.938 > 13 15 Mn 0.83333333333333 0.50000000000000 0.75000000000000 54.938 > 13 16 Mn 0.16666666666667 0.74668708327176 0.25000000000000 54.938 > 16 17 Mn 0.50000000000000 0.74668708327176 0.25000000000000 54.938 > 16 18 Mn 0.83333333333333 0.74668708327176 0.25000000000000 54.938 > 16 19 Mn 0.00000000000000 0.24668708327176 0.25000000000000 54.938 > 1 20 Mn 0.33333333333333 0.24668708327176 0.25000000000000 54.938 > 1 21 Mn 0.66666666666667 0.24668708327176 0.25000000000000 54.938 > 1 22 Mn 0.00000000000000 0.75331291672824 0.25000000000000 54.938 > 4 23 Mn 0.33333333333333 0.75331291672824 0.25000000000000 54.938 > 4 24 Mn 0.66666666666667 0.75331291672824 0.25000000000000 54.938 > 4 25 Mn 0.00000000000000 0.75331291672824 0.75000000000000 54.938 > 7 26 Mn 0.33333333333333 0.75331291672824 0.75000000000000 54.938 > 7 27 Mn 0.66666666666667 0.75331291672824 0.75000000000000 54.938 > 7 28 Mn 0.00000000000000 0.00000000000000 0.75000000000000 54.938 > 10 29 Mn 0.33333333333333 0.00000000000000 0.75000000000000 54.938 > 10 30 Mn 0.66666666666667 0.00000000000000 0.75000000000000 54.938 > 10 31 Mn 0.00000000000000 0.00000000000000 0.25000000000000 54.938 > 13 32 Mn 0.33333333333333 0.00000000000000 0.25000000000000 54.938 > 13 33 Mn 0.66666666666667 0.00000000000000 0.25000000000000 54.938 > 13 34 Mn 0.00000000000000 0.24668708327176 0.75000000000000 54.938 > 16 35 Mn 0.33333333333333 0.24668708327176 0.75000000000000 54.938 > 16 36 Mn 0.66666666666667 0.24668708327176 0.75000000000000 54.938 > 16 37 Se 0.25055760717481 0.37464038285816 0.83941773250994 78.960 > 37 38 Se 0.58389094050814 0.37464038285816 0.83941773250994 78.960 > 37 39 Se 0.91722427384148 0.37464038285816 0.83941773250994 78.960 > 37 40 Se 0.25055760717481 0.62535961714184 0.66058226749006 78.960 > 40 41 Se 0.58389094050814 0.62535961714184 0.66058226749006 78.960 > 40 42 Se 0.91722427384148 0.62535961714184 0.66058226749006 78.960 > 40 43 Se 0.08277572615852 0.37464038285816 0.66058226749006 78.960 > 43 44 Se 0.41610905949186 0.37464038285816 0.66058226749006 78.960 > 43 45 Se 0.74944239282519 0.37464038285816 0.66058226749006 78.960 > 43 46 Se 0.08277572615852 0.62535961714184 0.83941773250994 78.960 > 46 47 Se 0.41610905949186 0.62535961714184 0.83941773250994 78.960 > 46 48 Se 0.74944239282519 0.62535961714184 0.83941773250994 78.960 > 46 49 Se 0.08277572615852 0.62535961714184 0.16058226749006 78.960 > 49 50 Se 0.41610905949186 0.62535961714184 0.16058226749006 78.960 > 49 51 Se 0.74944239282519 0.62535961714184 0.16058226749006 78.960 > 49 52 Se 0.08277572615852 0.37464038285816 0.33941773250994 78.960 > 52 53 Se 0.41610905949186 0.37464038285816 0.33941773250994 78.960 > 52 54 Se 0.74944239282519 0.37464038285816 0.33941773250994 78.960 > 52 55 Se 0.25055760717481 0.62535961714184 0.33941773250994 78.960 > 55 56 Se 0.58389094050814 0.62535961714184 0.33941773250994 78.960 > 55 57 Se 0.91722427384148 0.62535961714184 0.33941773250994 78.960 > 55 58 Se 0.25055760717481 0.37464038285816 0.16058226749006 78.960 > 58 59 Se 0.58389094050814 0.37464038285816 0.16058226749006 78.960 > 58 60 Se 0.91722427384148 0.37464038285816 0.16058226749006 78.960 > 58 61 Se 0.08389094050814 0.87464038285816 0.33941773250994 78.960 > 37 62 Se 0.41722427384148 0.87464038285816 0.33941773250994 78.960 > 37 63 Se 0.75055760717481 0.87464038285816 0.33941773250994 78.960 > 37 64 Se 0.08389094050814 0.12535961714184 0.16058226749006 78.960 > 40 65 Se 0.41722427384148 0.12535961714184 0.16058226749006 78.960 > 40 66 Se 0.75055760717481 0.12535961714184 0.16058226749006 78.960 > 40 67 Se 0.24944239282519 0.87464038285816 0.16058226749006 78.960 > 43 68 Se 0.58277572615852 0.87464038285816 0.16058226749006 78.960 > 43 69 Se 0.91610905949186 0.87464038285816 0.16058226749006 78.960 > 43 70 Se 0.24944239282519 0.12535961714184 0.33941773250994 78.960 > 46 71 Se 0.58277572615852 0.12535961714184 0.33941773250994 78.960 > 46 72 Se 0.91610905949186 0.12535961714184 0.33941773250994 78.960 > 46 73 Se 0.24944239282519 0.12535961714184 0.66058226749006 78.960 > 49 74 Se 0.58277572615852 0.12535961714184 0.66058226749006 78.960 > 49 75 Se 0.91610905949186 0.12535961714184 0.66058226749006 78.960 > 49 76 Se 0.24944239282519 0.87464038285816 0.83941773250994 78.960 > 52 77 Se 0.58277572615852 0.87464038285816 0.83941773250994 78.960 > 52 78 Se 0.91610905949186 0.87464038285816 0.83941773250994 78.960 > 52 79 Se 0.08389094050814 0.12535961714184 0.83941773250994 78.960 > 55 80 Se 0.41722427384148 0.12535961714184 0.83941773250994 78.960 > 55 81 Se 0.75055760717481 0.12535961714184 0.83941773250994 78.960 > 55 82 Se 0.08389094050814 0.87464038285816 0.66058226749006 78.960 > 58 83 Se 0.41722427384148 0.87464038285816 0.66058226749006 78.960 > 58 84 Se 0.75055760717481 0.87464038285816 0.66058226749006 78.960 > 58 85 Cs 0.25114614460011 0.12496525170640 0.00000000000000 132.905 > 85 86 Cs 0.58447947793345 0.12496525170640 0.00000000000000 132.905 > 85 87 Cs 0.91781281126678 0.12496525170640 0.00000000000000 132.905 > 85 88 Cs 0.08447947793345 0.37503474829360 0.00000000000000 132.905 > 88 89 Cs 0.41781281126678 0.37503474829360 0.00000000000000 132.905 > 88 90 Cs 0.75114614460011 0.37503474829360 0.00000000000000 132.905 > 88 91 Cs 0.24885385539989 0.62496525170640 0.00000000000000 132.905 > 91 92 Cs 0.58218718873322 0.62496525170640 0.00000000000000 132.905 > 91 93 Cs 0.91552052206655 0.62496525170640 0.00000000000000 132.905 > 91 94 Cs 0.08218718873322 0.87503474829360 0.00000000000000 132.905 > 94 95 Cs 0.41552052206655 0.87503474829360 0.00000000000000 132.905 > 94 96 Cs 0.74885385539989 0.87503474829360 0.00000000000000 132.905 > 94 97 Cs 0.08447947793345 0.62496525170640 0.50000000000000 132.905 > 85 98 Cs 0.41781281126678 0.62496525170640 0.50000000000000 132.905 > 85 99 Cs 0.75114614460011 0.62496525170640 0.50000000000000 132.905 > 85 100 Cs 0.25114614460011 0.87503474829360 0.50000000000000 132.905 > 88 101 Cs 0.58447947793345 0.87503474829360 0.50000000000000 132.905 > 88 102 Cs 0.91781281126678 0.87503474829360 0.50000000000000 132.905 > 88 103 Cs 0.08218718873322 0.12496525170640 0.50000000000000 132.905 > 91 104 Cs 0.41552052206655 0.12496525170640 0.50000000000000 132.905 > 91 105 Cs 0.74885385539989 0.12496525170640 0.50000000000000 132.905 > 91 106 Cs 0.24885385539989 0.37503474829360 0.50000000000000 132.905 > 94 107 Cs 0.58218718873322 0.37503474829360 0.50000000000000 132.905 > 94 108 Cs 0.91552052206655 0.37503474829360 0.50000000000000 132.905 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 72.7465115 0.0000000 0.0000000 0.0000000 75.8986800 0.0000000 0.0000000 0.0000000 28.2312955 -------------------------- Born effective charges -------------------------- 1 Mn -4.2348068 0.0000000 1.4520801 0.0000000 -1.4902453 0.0000000 0.2407504 0.0000000 -0.6593121 2 Mn -4.2348068 0.0000000 -1.4520801 0.0000000 -1.4902453 0.0000000 -0.2407504 0.0000000 -0.6593121 3 Mn -4.2348068 0.0000000 1.4520801 0.0000000 -1.4902453 0.0000000 0.2407504 0.0000000 -0.6593121 4 Mn -2.5463001 0.0000000 0.0000000 0.0000000 -6.1136265 0.0000000 0.0000000 0.0000000 -1.5251455 5 Mn -2.5463001 0.0000000 0.0000000 0.0000000 -6.1136265 0.0000000 0.0000000 0.0000000 -1.5251455 6 Mn -4.2348068 0.0000000 -1.4520801 0.0000000 -1.4902453 0.0000000 -0.2407504 0.0000000 -0.6593121 7 Se 2.5439971 -0.5134795 1.4203802 -1.2591732 1.7065047 -1.2122430 0.0414912 -0.1003853 -0.3266320 8 Se 2.5439971 0.5134795 -1.4203802 1.2591732 1.7065047 -1.2122430 -0.0414912 -0.1003853 -0.3266320 9 Se 2.5439971 0.5134795 1.4203802 1.2591732 1.7065047 1.2122430 0.0414912 0.1003853 -0.3266320 10 Se 2.5439971 -0.5134795 -1.4203802 -1.2591732 1.7065047 1.2122430 -0.0414912 0.1003853 -0.3266320 11 Se 2.5439971 -0.5134795 1.4203802 -1.2591732 1.7065047 -1.2122430 0.0414912 -0.1003853 -0.3266320 12 Se 2.5439971 0.5134795 -1.4203802 1.2591732 1.7065047 -1.2122430 -0.0414912 -0.1003853 -0.3266320 13 Se 2.5439971 0.5134795 1.4203802 1.2591732 1.7065047 1.2122430 0.0414912 0.1003853 -0.3266320 14 Se 2.5439971 -0.5134795 -1.4203802 -1.2591732 1.7065047 1.2122430 -0.0414912 0.1003853 -0.3266320 15 Cs 0.4199626 -0.1295835 0.0000000 -0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 16 Cs 0.4199626 0.1295835 0.0000000 0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 17 Cs 0.4199626 0.1295835 0.0000000 0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 18 Cs 0.4199626 -0.1295835 0.0000000 -0.2498823 1.1340491 0.0000000 0.0000000 0.0000000 2.0751490 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 3 90 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 3 3 0 ] 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: 0.56, Number of G-points: 291, Lambda: 0.44 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.190 ( 0.000 0.000 0.000) 0.000 9.238 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 14.584 0.000 7.268) 16.295 1.349 ( 19.526 -0.000 -0.579) 19.534 1.692 ( -1.278 0.000 0.479) 1.364 1.703 ( -3.889 -0.000 -1.177) 4.063 1.749 ( -1.023 0.000 3.309) 3.464 1.861 ( -2.500 0.000 1.989) 3.195 1.943 ( 0.184 0.000 0.443) 0.479 1.946 ( 3.650 0.000 5.269) 6.410 2.013 ( 5.161 -0.000 -0.121) 5.163 2.025 ( 3.553 0.000 2.339) 4.254 2.189 ( -5.212 -0.000 -2.819) 5.926 2.296 ( 1.110 -0.000 -1.742) 2.065 2.375 ( 2.791 -0.000 -2.044) 3.460 2.385 ( -2.731 -0.000 -0.183) 2.737 2.474 ( 6.158 -0.000 -0.542) 6.182 2.543 ( 1.039 -0.000 -2.018) 2.270 2.665 ( 2.002 0.000 1.255) 2.363 2.711 ( -4.119 -0.000 -5.575) 6.932 2.733 ( 5.317 -0.000 -0.517) 5.342 2.868 ( -11.007 0.000 -0.229) 11.009 2.911 ( 4.774 0.000 3.769) 6.083 2.962 ( -2.533 0.000 0.495) 2.581 3.022 ( 0.312 -0.000 -1.172) 1.213 3.288 ( -5.409 0.000 2.387) 5.913 3.289 ( 2.577 0.000 0.956) 2.748 3.531 ( -4.386 -0.000 -0.575) 4.423 3.733 ( -10.103 0.000 -0.475) 10.114 3.862 ( -10.925 -0.000 -0.759) 10.951 4.376 ( 4.944 0.000 3.495) 6.055 4.712 ( -3.361 -0.000 -1.014) 3.510 5.421 ( 11.292 -0.000 0.242) 11.295 5.820 ( -0.162 -0.000 -0.647) 0.667 5.955 ( 9.072 -0.000 -0.841) 9.111 6.239 ( -7.760 0.000 -0.349) 7.768 6.318 ( -8.106 0.000 1.895) 8.325 6.413 ( -3.682 0.000 1.321) 3.912 8.040 ( 2.470 0.000 0.402) 2.502 8.082 ( 1.893 -0.000 -0.468) 1.950 8.303 ( 1.287 -0.000 -0.445) 1.362 8.497 ( -10.145 0.000 -0.352) 10.151 8.787 ( 7.739 -0.000 -0.004) 7.739 8.900 ( 1.514 0.000 0.394) 1.564 9.163 ( -2.995 -0.000 -0.158) 2.999 9.264 ( 5.355 0.000 0.541) 5.382 9.344 ( -4.969 0.000 0.661) 5.013 9.438 ( 2.945 -0.000 -0.270) 2.957 9.485 ( 5.136 -0.000 0.012) 5.136 9.798 ( -3.194 0.000 4.586) 5.589 9.899 ( -7.384 0.000 0.394) 7.395 9.937 ( -1.702 -0.000 -2.081) 2.688 9.973 ( 3.524 0.000 1.500) 3.830 9.995 ( 1.932 -0.000 -0.484) 1.992 10.031 ( -0.243 0.000 0.527) 0.580 10.204 ( -3.011 -0.000 -0.428) 3.041 ======================= Grid point 3 (3/60) ======================= q-point: (-0.21 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -11.583 -11.043 -8.919) 18.322 0.792 ( -10.576 -12.074 -12.798) 20.528 1.320 ( -22.429 -15.372 -19.562) 33.497 1.537 ( 0.054 10.753 3.500) 11.308 1.723 ( -0.011 10.015 6.392) 11.881 1.856 ( 1.480 3.682 -5.779) 7.010 1.945 ( 0.503 -0.869 -0.551) 1.145 1.953 ( 0.603 -1.029 -0.701) 1.383 2.052 ( 4.174 -5.508 3.127) 7.586 2.076 ( -0.309 -4.193 5.260) 6.733 2.085 ( -2.965 -0.342 4.414) 5.329 2.216 ( 0.268 0.812 -1.861) 2.048 2.273 ( -0.984 1.680 -2.348) 3.050 2.343 ( 1.172 2.141 -0.098) 2.443 2.402 ( 1.313 0.478 1.173) 1.824 2.526 ( -6.320 3.691 2.760) 7.822 2.554 ( 1.101 -1.250 -0.360) 1.705 2.643 ( -1.017 -1.453 1.006) 2.039 2.657 ( 1.002 1.419 3.311) 3.739 2.839 ( -4.129 2.637 0.977) 4.996 3.130 ( 3.981 3.463 -0.793) 5.335 3.224 ( 1.391 -3.507 -0.329) 3.787 3.288 ( 7.777 2.175 0.473) 8.090 3.496 ( 9.014 -1.700 0.834) 9.211 3.573 ( 5.085 0.341 -1.276) 5.254 3.651 ( 1.207 2.870 1.444) 3.432 4.073 ( 3.620 1.888 0.794) 4.159 4.078 ( 2.956 1.592 0.665) 3.423 4.357 ( 1.551 -11.715 -4.210) 12.545 4.854 ( 3.938 1.323 0.076) 4.155 4.939 ( -11.141 -2.278 -0.298) 11.375 5.456 ( -5.415 13.361 2.649) 14.658 5.967 ( -0.851 -11.075 3.337) 11.598 6.416 ( -0.290 4.343 -2.524) 5.032 6.550 ( 4.452 -0.490 1.880) 4.858 6.580 ( 3.812 2.722 -1.024) 4.794 8.068 ( 3.216 -2.061 -0.786) 3.900 8.106 ( -3.294 0.631 0.614) 3.410 8.167 ( -1.521 -6.875 -0.512) 7.059 8.563 ( -2.590 -3.721 0.167) 4.536 8.832 ( 5.162 4.230 1.127) 6.768 8.970 ( 2.540 11.189 1.359) 11.554 9.122 ( -1.686 -0.536 -0.263) 1.788 9.170 ( -2.307 2.035 0.271) 3.089 9.216 ( -0.505 -2.150 -0.109) 2.211 9.410 ( -0.094 2.087 0.970) 2.303 9.536 ( -0.013 -11.637 1.430) 11.724 9.846 ( -0.875 0.384 -0.395) 1.034 9.890 ( -1.862 -2.030 1.947) 3.373 9.909 ( 0.077 2.698 -0.023) 2.699 9.963 ( -1.132 3.447 0.326) 3.643 9.985 ( 1.847 2.193 -2.001) 3.496 10.142 ( 1.755 -3.747 0.954) 4.246 10.345 ( 2.202 1.709 0.203) 2.795 ======================= Grid point 4 (4/60) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 15.081 -8.427 -0.000) 17.275 1.030 ( 19.807 -9.154 -0.000) 21.820 1.608 ( 0.700 5.748 0.000) 5.791 1.619 ( 26.199 -10.458 -0.000) 28.209 1.700 ( 0.057 7.352 0.000) 7.352 1.726 ( -3.896 4.876 0.000) 6.241 1.912 ( -1.794 -2.693 -0.000) 3.236 1.939 ( -7.089 -4.597 0.000) 8.449 1.943 ( -0.047 -0.145 -0.000) 0.153 2.127 ( 0.838 -10.207 -0.000) 10.242 2.197 ( 1.557 11.470 0.000) 11.575 2.225 ( 2.435 5.648 0.000) 6.151 2.297 ( 0.215 3.689 0.000) 3.695 2.406 ( 3.577 -2.790 -0.000) 4.536 2.429 ( 2.865 -2.342 -0.000) 3.700 2.527 ( 3.594 -2.689 -0.000) 4.488 2.554 ( -5.831 0.519 0.000) 5.854 2.705 ( 6.219 2.615 -0.000) 6.747 2.789 ( 3.456 -0.917 -0.000) 3.575 2.871 ( -0.637 -2.127 -0.000) 2.221 3.017 ( -6.262 4.026 0.000) 7.445 3.080 ( -9.806 3.497 0.000) 10.411 3.215 ( -1.149 0.176 0.000) 1.162 3.270 ( -12.287 -4.275 0.000) 13.009 3.412 ( -6.715 0.105 0.000) 6.716 3.618 ( -3.611 1.187 0.000) 3.801 3.936 ( -8.907 0.544 0.000) 8.923 4.018 ( -5.540 2.884 0.000) 6.245 4.315 ( 2.230 -8.570 -0.000) 8.855 4.780 ( -3.530 1.249 0.000) 3.744 5.181 ( 12.285 -1.951 -0.000) 12.439 5.603 ( 5.890 11.354 0.000) 12.791 6.022 ( 1.452 -10.348 -0.000) 10.449 6.387 ( -1.241 4.801 0.000) 4.959 6.439 ( -8.005 -1.289 0.000) 8.108 6.454 ( -5.818 0.918 0.000) 5.890 7.991 ( -2.910 -0.242 0.000) 2.920 8.194 ( 3.672 2.907 -0.000) 4.684 8.197 ( 1.921 -9.662 -0.000) 9.851 8.648 ( 5.280 -1.147 -0.000) 5.403 8.707 ( -6.940 0.935 0.000) 7.003 8.889 ( -5.243 7.557 0.000) 9.198 9.169 ( 3.224 -0.325 -0.000) 3.241 9.212 ( -0.670 -0.449 0.000) 0.807 9.260 ( 5.021 2.684 -0.000) 5.693 9.397 ( -2.039 1.917 0.000) 2.798 9.558 ( 0.960 -9.355 -0.000) 9.404 9.803 ( -3.718 1.027 0.000) 3.858 9.885 ( 0.163 1.930 0.000) 1.937 9.949 ( 1.185 1.046 -0.000) 1.581 9.960 ( 1.791 -1.121 -0.000) 2.113 9.998 ( 0.461 3.633 0.000) 3.663 10.087 ( -4.193 -4.195 0.000) 5.931 10.281 ( -3.969 0.993 0.000) 4.092 ======================= Grid point 5 (5/60) ======================= q-point: (-0.21 -0.46 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -1.092 2.839 0.573) 3.096 1.659 ( -1.620 2.078 -4.751) 5.433 1.706 ( -1.128 -2.664 -0.940) 3.042 1.730 ( -11.314 -1.435 -0.980) 11.446 1.765 ( 4.206 -0.609 -0.394) 4.268 1.876 ( -0.516 0.220 -1.521) 1.621 1.919 ( 4.180 1.822 0.250) 4.566 1.937 ( 1.966 0.859 -0.605) 2.229 1.975 ( -3.052 1.190 4.083) 5.234 2.070 ( -3.243 4.394 0.363) 5.473 2.131 ( 4.687 6.152 1.711) 7.921 2.234 ( 7.085 -0.439 -2.661) 7.581 2.286 ( -2.592 0.641 1.762) 3.200 2.391 ( 1.978 0.822 -0.684) 2.249 2.505 ( 2.322 -3.249 3.414) 5.254 2.509 ( -3.142 -6.449 -1.182) 7.271 2.671 ( -3.511 -3.942 0.505) 5.303 2.690 ( -2.855 0.874 -1.327) 3.268 2.742 ( 3.579 -4.964 0.850) 6.178 2.835 ( 3.340 -0.257 -2.425) 4.136 2.940 ( -3.821 1.245 3.927) 5.619 3.088 ( 2.991 -3.700 -1.828) 5.097 3.195 ( -13.468 1.645 -0.797) 13.591 3.261 ( -7.859 5.529 -1.242) 9.689 3.393 ( 4.127 2.412 0.207) 4.785 3.415 ( -1.198 -0.102 -0.108) 1.207 3.495 ( 10.854 -0.920 0.246) 10.895 3.592 ( 11.125 -0.520 0.642) 11.156 4.555 ( -3.007 -0.929 -2.221) 3.852 4.584 ( 4.107 1.033 1.645) 4.544 5.638 ( -8.458 -0.736 0.126) 8.491 5.754 ( 1.192 2.532 0.097) 2.800 6.089 ( -0.378 0.672 0.435) 0.885 6.180 ( 6.751 1.994 -1.085) 7.123 6.212 ( -4.011 -5.046 0.726) 6.486 6.348 ( 5.363 -1.854 -1.027) 5.767 7.986 ( -3.606 6.479 0.052) 7.415 8.092 ( 5.958 8.793 0.136) 10.622 8.336 ( -5.415 -10.727 0.153) 12.018 8.456 ( 5.780 -9.279 0.138) 10.933 8.926 ( -6.414 2.246 -0.201) 6.799 8.956 ( -5.316 5.976 0.089) 7.998 9.103 ( 2.135 -1.609 -0.157) 2.678 9.188 ( 7.274 2.484 -0.208) 7.690 9.413 ( -4.294 -1.621 -0.254) 4.597 9.453 ( -1.315 0.501 0.113) 1.412 9.626 ( -3.771 -2.779 0.820) 4.756 9.763 ( 6.323 -0.620 -1.143) 6.455 9.804 ( 4.008 -0.109 2.387) 4.666 9.842 ( 1.270 1.217 -2.432) 3.002 10.017 ( -0.735 -0.302 -0.324) 0.858 10.026 ( 0.072 1.439 -0.194) 1.454 10.105 ( -2.543 0.210 -2.056) 3.277 10.121 ( 2.831 0.421 1.099) 3.066 ======================= Grid point 6 (6/60) ======================= q-point: (-0.42 -0.24 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -9.047 -6.233 -7.491) 13.297 1.375 ( -5.515 0.229 -6.508) 8.533 1.418 ( -7.640 9.760 2.598) 12.664 1.481 ( -7.629 7.294 -5.345) 11.830 1.826 ( -0.207 3.439 11.931) 12.419 1.921 ( 1.654 -4.557 -0.590) 4.883 1.959 ( -0.981 -1.132 1.290) 1.977 1.968 ( 0.886 -0.223 1.461) 1.724 2.009 ( 2.289 -3.963 2.934) 5.437 2.094 ( -1.817 0.913 -0.872) 2.213 2.132 ( 5.137 2.356 -2.132) 6.040 2.213 ( 0.205 3.761 -3.702) 5.281 2.325 ( -9.419 -6.678 -5.312) 12.710 2.364 ( -9.434 5.501 2.365) 11.174 2.390 ( -4.561 -3.185 -2.622) 6.150 2.432 ( -0.489 2.282 -0.068) 2.334 2.590 ( -3.452 -0.160 3.943) 5.243 2.617 ( -4.558 -2.366 1.250) 5.285 2.740 ( -2.980 -6.766 2.780) 7.899 2.903 ( -1.173 0.628 -1.983) 2.388 2.927 ( 10.199 3.100 1.973) 10.841 2.956 ( 7.124 4.018 -1.075) 8.250 3.322 ( 10.957 -3.265 1.008) 11.478 3.378 ( 5.519 -2.727 -1.950) 6.457 3.472 ( 3.467 -0.751 -1.046) 3.698 3.497 ( 1.415 4.210 1.718) 4.762 3.902 ( 7.089 -1.549 0.739) 7.294 3.958 ( 6.877 2.331 -0.301) 7.268 4.608 ( 1.890 -7.416 -2.833) 8.161 4.674 ( 3.710 5.637 1.828) 6.992 5.262 ( -11.061 -4.976 -0.598) 12.144 5.370 ( -10.099 8.473 0.917) 13.215 6.126 ( -2.020 -9.393 2.167) 9.849 6.339 ( 0.590 7.799 -1.933) 8.057 6.422 ( 5.904 -1.665 1.156) 6.242 6.488 ( 5.578 1.696 -1.444) 6.007 8.048 ( 3.475 -3.364 -0.541) 4.867 8.106 ( 0.286 4.115 0.573) 4.164 8.411 ( -1.681 -12.366 -0.210) 12.482 8.610 ( -0.955 8.229 0.539) 8.302 8.678 ( -1.888 -2.435 0.025) 3.081 8.743 ( 2.863 5.418 -0.007) 6.128 9.189 ( -2.827 -0.147 -0.299) 2.847 9.194 ( -2.892 0.942 0.102) 3.043 9.281 ( -0.351 -3.403 0.117) 3.423 9.350 ( 0.089 3.403 -0.080) 3.405 9.675 ( 0.897 -7.068 1.391) 7.259 9.811 ( 0.838 4.051 -0.105) 4.139 9.899 ( -1.560 0.477 -0.816) 1.824 9.916 ( -1.190 -1.242 1.525) 2.299 9.929 ( -1.428 3.247 -0.102) 3.549 9.988 ( 0.095 1.112 -2.485) 2.724 10.170 ( 2.806 -4.504 -0.180) 5.310 10.234 ( 3.625 2.851 0.228) 4.617 ======================= Grid point 7 (7/60) ======================= q-point: (-0.42 0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 8.607 -16.526 -2.609) 18.815 1.046 ( 7.975 -14.649 -9.261) 19.078 1.312 ( 1.630 12.258 6.677) 14.054 1.528 ( 1.707 10.922 10.619) 15.329 1.674 ( 13.867 -20.592 -14.185) 28.593 1.813 ( -0.464 0.694 -10.297) 10.331 1.952 ( -0.139 -0.111 -0.668) 0.692 1.968 ( -0.528 -0.172 -0.121) 0.568 2.057 ( -0.075 0.852 6.274) 6.332 2.088 ( -0.025 5.876 -8.275) 10.149 2.159 ( -3.263 -3.910 2.969) 5.895 2.170 ( -0.339 -2.311 5.202) 5.702 2.241 ( -1.846 3.429 -0.254) 3.903 2.319 ( 4.800 9.276 5.871) 11.981 2.386 ( -0.580 -3.553 1.617) 3.946 2.436 ( 1.992 2.961 1.979) 4.081 2.563 ( 0.609 0.856 -0.928) 1.402 2.595 ( 1.054 3.573 0.100) 3.727 2.712 ( 5.081 -4.934 0.976) 7.150 2.796 ( 2.207 3.471 0.040) 4.114 3.081 ( -5.795 0.283 -2.854) 6.466 3.203 ( -8.836 3.553 2.610) 9.874 3.358 ( -0.126 -7.217 -3.316) 7.944 3.523 ( -6.307 -0.353 0.194) 6.320 3.560 ( -6.016 1.162 -0.749) 6.173 3.578 ( -0.712 3.993 2.711) 4.878 4.044 ( -2.767 1.632 -0.536) 3.257 4.057 ( -4.570 0.243 1.347) 4.771 4.590 ( -4.251 -12.309 -3.399) 13.458 4.805 ( -4.657 4.437 0.956) 6.503 5.007 ( 11.199 -5.366 -0.640) 12.435 5.209 ( 8.304 12.435 2.258) 15.122 6.167 ( 0.247 -10.350 2.783) 10.721 6.285 ( 0.203 9.262 -2.527) 9.603 6.541 ( -3.001 1.439 -1.503) 3.652 6.563 ( -3.735 -0.857 1.811) 4.238 8.081 ( -1.155 -0.141 -0.451) 1.248 8.096 ( 1.654 0.414 0.475) 1.770 8.372 ( 0.724 -13.579 -1.083) 13.641 8.654 ( 0.664 -5.167 -0.058) 5.210 8.669 ( -2.856 12.937 1.472) 13.330 8.782 ( -0.512 7.476 0.388) 7.504 9.134 ( 1.416 -0.750 -0.213) 1.617 9.152 ( 1.255 0.666 0.193) 1.433 9.274 ( 0.475 -3.688 -0.269) 3.729 9.354 ( 0.025 3.742 0.507) 3.777 9.718 ( -0.646 -7.941 0.839) 8.011 9.828 ( -0.740 5.547 -0.286) 5.604 9.855 ( 0.826 -1.263 -0.076) 1.511 9.893 ( 1.661 3.168 -0.111) 3.579 9.940 ( -0.901 2.691 -2.318) 3.665 9.944 ( 0.415 -3.124 2.363) 3.939 10.220 ( -1.620 -4.316 0.377) 4.626 10.294 ( -1.636 3.648 0.095) 3.999 ======================= Grid point 8 (8/60) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 6.917 -0.368 -0.000) 6.926 1.681 ( 3.466 1.287 -0.000) 3.697 1.686 ( 3.541 -3.290 -0.000) 4.833 1.763 ( -3.618 -3.123 0.000) 4.779 1.821 ( 8.490 2.556 -0.000) 8.866 1.830 ( 7.105 -2.911 -0.000) 7.678 1.876 ( 0.161 -1.515 -0.000) 1.523 1.915 ( -6.022 5.643 0.000) 8.253 1.915 ( -0.018 0.254 0.000) 0.255 2.038 ( -1.579 3.388 0.000) 3.738 2.076 ( -10.146 4.637 0.000) 11.155 2.280 ( -1.379 -2.811 -0.000) 3.131 2.329 ( -1.692 1.221 0.000) 2.086 2.346 ( 1.775 -6.611 -0.000) 6.845 2.428 ( 1.960 1.149 -0.000) 2.272 2.672 ( 2.306 0.627 -0.000) 2.390 2.686 ( -1.077 0.285 0.000) 1.114 2.761 ( -1.969 -0.599 0.000) 2.058 2.839 ( -0.884 0.794 0.000) 1.189 2.876 ( 0.620 -0.142 -0.000) 0.636 2.911 ( -6.401 -1.094 0.000) 6.493 3.099 ( 5.835 -3.968 -0.000) 7.056 3.137 ( 12.058 0.687 -0.000) 12.077 3.167 ( 9.522 -0.822 -0.000) 9.558 3.368 ( -3.667 2.357 0.000) 4.359 3.388 ( -5.870 1.074 0.000) 5.968 3.546 ( -6.003 -2.564 0.000) 6.528 3.587 ( -9.380 2.722 0.000) 9.767 4.497 ( 1.217 -1.984 -0.000) 2.327 4.626 ( -1.760 1.071 0.000) 2.061 5.660 ( 6.691 -1.474 -0.000) 6.852 5.706 ( 3.277 2.808 -0.000) 4.315 6.109 ( -4.819 1.402 0.000) 5.019 6.116 ( -3.581 -1.523 0.000) 3.891 6.325 ( -1.295 0.415 0.000) 1.360 6.334 ( 2.306 -4.084 -0.000) 4.691 7.917 ( -0.016 0.803 0.000) 0.803 7.960 ( -4.316 5.302 0.000) 6.836 8.533 ( 2.723 -8.873 -0.000) 9.281 8.583 ( -3.408 -2.693 0.000) 4.343 8.847 ( 4.168 4.195 -0.000) 5.914 8.861 ( 6.879 3.458 -0.000) 7.699 9.118 ( -3.418 -1.142 0.000) 3.604 9.151 ( -3.993 1.222 0.000) 4.176 9.431 ( 4.043 -0.951 -0.000) 4.153 9.447 ( 3.137 0.341 -0.000) 3.156 9.674 ( -0.590 0.682 0.000) 0.902 9.733 ( 1.735 -4.483 -0.000) 4.807 9.787 ( -4.029 -1.188 0.000) 4.200 9.852 ( -3.571 2.524 0.000) 4.373 9.976 ( 1.104 1.066 -0.000) 1.535 10.047 ( 0.874 -1.196 -0.000) 1.481 10.072 ( 0.110 -1.265 -0.000) 1.270 10.142 ( -0.997 1.616 0.000) 1.899 ======================= Grid point 9 (9/60) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -8.303 5.714 0.000) 10.079 1.568 ( -12.129 4.061 0.000) 12.791 1.596 ( -7.577 3.078 0.000) 8.178 1.632 ( -1.802 -0.658 0.000) 1.918 1.660 ( -5.632 -3.101 0.000) 6.429 1.873 ( 6.159 4.557 -0.000) 7.661 1.907 ( 2.259 1.540 -0.000) 2.734 1.935 ( 0.963 -0.307 -0.000) 1.011 2.037 ( 5.051 -7.597 -0.000) 9.123 2.053 ( -0.884 -5.929 -0.000) 5.995 2.158 ( -2.777 3.008 0.000) 4.094 2.285 ( -3.284 4.899 0.000) 5.898 2.329 ( -2.764 1.020 0.000) 2.946 2.392 ( 4.175 -2.547 -0.000) 4.890 2.414 ( 3.264 0.659 -0.000) 3.330 2.672 ( -0.773 0.250 0.000) 0.813 2.680 ( -2.239 1.514 0.000) 2.703 2.684 ( -11.260 -0.542 0.000) 11.273 2.812 ( 2.644 -3.501 -0.000) 4.387 2.845 ( -1.962 -0.599 0.000) 2.051 2.919 ( -6.905 -3.322 0.000) 7.662 2.949 ( -1.750 0.816 0.000) 1.931 3.096 ( 10.377 -0.202 -0.000) 10.379 3.183 ( 5.933 5.975 -0.000) 8.420 3.377 ( -0.404 2.375 0.000) 2.409 3.497 ( 4.708 -2.354 -0.000) 5.264 3.743 ( 10.195 1.264 -0.000) 10.273 3.791 ( 9.145 -4.013 -0.000) 9.987 4.484 ( -0.032 6.072 0.000) 6.072 4.674 ( 2.746 -2.547 -0.000) 3.746 5.474 ( -10.467 3.451 0.000) 11.021 5.577 ( -7.765 -6.509 0.000) 10.133 6.208 ( 1.752 6.213 0.000) 6.455 6.226 ( 4.735 -3.479 -0.000) 5.876 6.332 ( 4.328 4.152 -0.000) 5.997 6.349 ( 1.924 -2.854 -0.000) 3.442 7.954 ( 3.194 2.898 -0.000) 4.312 8.067 ( 5.053 -7.100 -0.000) 8.714 8.473 ( -3.183 12.174 0.000) 12.583 8.659 ( 3.293 -5.843 -0.000) 6.707 8.701 ( -5.995 -0.142 0.000) 5.997 8.743 ( -4.501 -2.703 0.000) 5.250 9.195 ( 2.717 1.581 -0.000) 3.144 9.218 ( 0.742 -1.188 -0.000) 1.401 9.344 ( -2.432 -0.442 0.000) 2.472 9.350 ( -4.882 0.088 0.000) 4.883 9.697 ( 1.907 -2.213 -0.000) 2.922 9.714 ( -0.455 5.991 0.000) 6.008 9.875 ( 2.626 1.082 -0.000) 2.840 9.923 ( 2.123 -1.820 -0.000) 2.796 9.948 ( -1.371 -1.048 0.000) 1.726 10.022 ( -1.451 0.754 0.000) 1.635 10.095 ( 2.506 3.590 0.000) 4.378 10.176 ( 2.633 -2.209 -0.000) 3.437 ======================= Grid point 10 (10/60) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 18.124 5.693) 18.998 0.922 ( 0.000 15.246 13.539) 20.390 1.313 ( -0.000 -13.016 -8.027) 15.292 1.496 ( -0.000 -8.030 -10.518) 13.232 1.517 ( 0.000 22.772 10.865) 25.231 1.816 ( -0.000 -1.439 10.377) 10.476 1.958 ( 0.000 0.341 0.840) 0.907 1.973 ( -0.000 -0.122 -0.047) 0.131 2.061 ( 0.000 0.240 -7.118) 7.122 2.103 ( -0.000 -6.817 8.192) 10.657 2.132 ( 0.000 1.743 -5.345) 5.622 2.227 ( -0.000 -7.907 -3.124) 8.502 2.253 ( 0.000 4.171 -3.231) 5.276 2.273 ( -0.000 -6.625 -2.697) 7.153 2.387 ( 0.000 2.929 -0.396) 2.955 2.423 ( -0.000 -0.843 -0.709) 1.102 2.568 ( -0.000 -3.024 -0.044) 3.024 2.578 ( -0.000 -6.014 0.113) 6.015 2.642 ( 0.000 5.588 0.668) 5.627 2.773 ( -0.000 -2.107 -2.054) 2.942 3.145 ( 0.000 1.580 3.780) 4.097 3.300 ( -0.000 -2.380 -2.115) 3.184 3.361 ( 0.000 4.945 2.839) 5.702 3.565 ( -0.000 -5.833 -3.129) 6.619 3.608 ( 0.000 0.727 0.139) 0.740 3.628 ( -0.000 -0.517 0.087) 0.525 4.071 ( -0.000 -0.367 0.705) 0.795 4.105 ( -0.000 -0.917 -1.218) 1.525 4.679 ( 0.000 16.335 4.489) 16.941 4.842 ( 0.000 2.842 -0.448) 2.877 4.876 ( -0.000 -2.011 0.589) 2.095 5.098 ( -0.000 -16.563 -4.032) 17.047 6.165 ( 0.000 10.704 -3.120) 11.149 6.283 ( -0.000 -9.472 2.779) 9.871 6.572 ( -0.000 -1.591 1.534) 2.210 6.603 ( 0.000 0.386 -2.048) 2.084 8.076 ( 0.000 0.770 -0.454) 0.894 8.091 ( -0.000 -1.728 0.264) 1.748 8.366 ( 0.000 14.836 1.559) 14.918 8.646 ( 0.000 6.342 0.269) 6.348 8.706 ( -0.000 -16.214 -2.055) 16.344 8.781 ( -0.000 -6.348 -0.610) 6.377 9.120 ( 0.000 1.061 0.097) 1.065 9.142 ( -0.000 -1.037 -0.077) 1.040 9.267 ( 0.000 3.633 0.453) 3.661 9.352 ( -0.000 -3.684 -0.854) 3.781 9.724 ( 0.000 7.806 -0.983) 7.867 9.832 ( -0.000 -5.445 0.278) 5.452 9.846 ( 0.000 1.305 -0.503) 1.399 9.872 ( -0.000 -2.876 0.372) 2.900 9.942 ( 0.000 4.338 -2.707) 5.114 9.957 ( -0.000 -4.123 2.611) 4.880 10.236 ( 0.000 4.386 -0.569) 4.423 10.310 ( -0.000 -3.933 0.027) 3.933 ======================= Grid point 11 (11/60) ======================= q-point: ( 0.37 0.30 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 8.435 -1.659 -0.783) 8.632 1.481 ( 6.644 0.238 3.476) 7.502 1.550 ( 6.808 0.846 2.736) 7.386 1.694 ( 10.750 -8.681 3.844) 14.342 1.825 ( -0.483 -2.313 -6.309) 6.736 1.871 ( -3.156 3.480 0.786) 4.763 1.923 ( -3.245 1.767 1.816) 4.117 1.955 ( -2.158 -1.159 -1.201) 2.728 1.969 ( -2.452 -0.194 -2.422) 3.452 2.025 ( -1.605 -0.070 -1.386) 2.121 2.146 ( -0.590 -1.682 0.459) 1.840 2.169 ( -0.236 -1.673 4.666) 4.962 2.366 ( -1.651 2.865 -0.279) 3.318 2.418 ( -0.949 -0.376 0.523) 1.147 2.554 ( 2.373 -4.098 -6.283) 7.868 2.561 ( 5.785 7.066 4.522) 10.190 2.708 ( 0.510 1.806 -2.116) 2.828 2.725 ( 3.071 2.184 -1.240) 3.967 2.748 ( 4.205 -1.034 -0.501) 4.359 2.774 ( -2.510 -0.418 1.217) 2.821 2.868 ( 9.123 2.554 -0.122) 9.475 2.996 ( 2.969 -6.368 2.232) 7.371 3.110 ( -7.633 3.700 -2.518) 8.848 3.235 ( -6.756 -1.715 2.465) 7.393 3.418 ( -1.968 3.424 0.969) 4.067 3.456 ( -2.825 -2.974 -1.258) 4.291 3.732 ( -9.315 1.901 -0.270) 9.511 3.782 ( -9.687 -2.764 -0.234) 10.076 4.581 ( -0.778 4.218 2.361) 4.896 4.609 ( -2.672 -3.850 -1.631) 4.963 5.480 ( 9.840 3.550 0.186) 10.462 5.566 ( 8.485 -6.172 -0.313) 10.497 6.159 ( -0.095 5.811 -1.361) 5.969 6.283 ( -5.839 -3.455 1.383) 6.924 6.302 ( -4.270 2.812 -0.667) 5.156 6.393 ( -2.134 -3.420 1.193) 4.204 7.964 ( -3.894 3.183 0.222) 5.034 8.054 ( -4.377 -6.882 -0.383) 8.165 8.462 ( 2.817 11.966 -0.294) 12.297 8.668 ( -3.903 -0.592 0.110) 3.949 8.694 ( 6.687 -5.192 -0.075) 8.467 8.750 ( 5.044 -2.382 0.157) 5.580 9.195 ( -2.541 1.353 0.037) 2.879 9.227 ( -1.123 -1.919 0.257) 2.238 9.342 ( 5.121 -0.163 -0.161) 5.126 9.358 ( 2.363 -0.780 0.290) 2.505 9.666 ( 0.133 4.642 -1.717) 4.952 9.790 ( -0.914 -3.727 1.436) 4.097 9.894 ( -3.139 -0.059 -0.950) 3.280 9.900 ( -2.504 -0.297 0.700) 2.617 9.967 ( 1.730 -1.920 -0.641) 2.663 10.001 ( 1.315 -0.264 2.309) 2.670 10.116 ( -1.668 3.418 0.644) 3.857 10.158 ( -3.260 -2.329 -0.519) 4.040 ======================= Grid point 12 (12/60) ======================= q-point: ( 0.16 -0.49 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -8.765 -2.591 -3.539) 9.801 1.629 ( -1.214 -0.743 1.089) 1.792 1.699 ( 1.516 3.271 -0.122) 3.607 1.716 ( -4.954 3.045 -0.334) 5.825 1.776 ( -9.215 -0.482 0.750) 9.258 1.840 ( 1.059 0.850 -0.481) 1.441 1.919 ( -0.873 -2.011 -0.836) 2.346 1.938 ( 1.296 -3.968 -0.579) 4.214 1.990 ( -0.234 -3.107 -0.058) 3.116 2.127 ( 0.218 -0.188 3.737) 3.749 2.140 ( 7.623 -3.828 -0.955) 8.584 2.191 ( 3.636 -0.550 -0.904) 3.787 2.287 ( -0.548 2.165 -2.915) 3.672 2.368 ( -0.019 -3.350 0.044) 3.351 2.469 ( -1.505 0.985 -1.355) 2.252 2.604 ( 5.619 6.037 3.865) 9.108 2.697 ( -0.518 2.123 1.011) 2.408 2.697 ( -2.893 -0.147 1.136) 3.112 2.764 ( 2.011 2.775 0.695) 3.497 2.797 ( 2.878 2.226 0.761) 3.717 3.006 ( -3.629 1.919 1.369) 4.328 3.016 ( 2.580 1.149 -4.187) 5.051 3.175 ( -14.078 -1.413 -0.587) 14.161 3.226 ( -9.182 -5.151 -1.585) 10.647 3.394 ( -1.590 -0.348 -0.025) 1.628 3.419 ( 3.888 -1.296 0.281) 4.108 3.501 ( 10.550 1.081 0.200) 10.607 3.608 ( 11.581 -0.099 0.641) 11.599 4.496 ( -4.090 1.172 -2.425) 4.897 4.625 ( 3.469 -0.926 1.548) 3.909 5.641 ( -8.576 0.572 0.146) 8.597 5.756 ( 1.645 -2.375 0.040) 2.889 6.100 ( -0.364 -0.655 0.397) 0.848 6.152 ( 5.703 -1.714 -1.139) 6.063 6.231 ( -4.686 5.334 0.779) 7.143 6.322 ( 5.100 1.756 -1.030) 5.492 7.986 ( -3.598 -6.438 0.002) 7.376 8.095 ( 6.289 -8.876 0.100) 10.878 8.339 ( -5.200 10.871 0.122) 12.051 8.459 ( 6.150 9.059 0.095) 10.950 8.921 ( -6.174 -2.587 -0.182) 6.696 8.958 ( -6.409 -5.584 0.039) 8.500 9.099 ( 2.636 1.354 -0.131) 2.966 9.183 ( 6.530 -2.064 -0.231) 6.852 9.407 ( -4.667 1.780 -0.220) 5.000 9.455 ( -1.327 -0.654 0.077) 1.481 9.644 ( -4.134 3.599 0.654) 5.520 9.724 ( 3.831 -0.712 -2.255) 4.502 9.778 ( 3.045 1.177 -2.114) 3.890 9.866 ( 3.169 -1.029 2.309) 4.054 10.011 ( -1.402 -1.365 -0.255) 1.974 10.022 ( -0.126 -0.099 0.031) 0.163 10.063 ( -2.447 0.920 -1.231) 2.890 10.151 ( 1.867 -0.841 1.305) 2.428 ======================= Grid point 13 (13/60) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -14.871 15.020 0.000) 21.136 0.633 ( -17.211 14.764 0.000) 22.676 1.011 ( -28.045 20.562 0.000) 34.775 1.628 ( 2.270 -6.973 -0.000) 7.333 1.712 ( 0.844 -8.850 -0.000) 8.890 1.855 ( 6.928 -5.735 -0.000) 8.994 1.938 ( 0.824 2.029 0.000) 2.190 1.941 ( -0.309 -0.029 0.000) 0.311 2.092 ( 6.475 3.973 -0.000) 7.597 2.109 ( -0.989 8.313 0.000) 8.372 2.121 ( -4.928 -11.104 -0.000) 12.148 2.169 ( -0.741 -0.204 0.000) 0.769 2.283 ( -1.950 0.879 0.000) 2.139 2.351 ( -1.294 1.031 0.000) 1.655 2.424 ( 0.901 -0.376 -0.000) 0.976 2.527 ( 3.260 3.649 -0.000) 4.893 2.563 ( -6.592 -3.349 0.000) 7.394 2.669 ( -6.833 1.918 0.000) 7.097 2.682 ( 5.468 -2.934 -0.000) 6.205 2.852 ( -2.414 -2.018 0.000) 3.147 3.119 ( 3.227 -4.507 -0.000) 5.544 3.221 ( -0.115 1.544 0.000) 1.549 3.293 ( 8.763 -2.485 -0.000) 9.108 3.507 ( 9.287 0.813 -0.000) 9.322 3.554 ( 5.822 0.080 -0.000) 5.822 3.670 ( 1.328 -1.933 -0.000) 2.345 4.081 ( 0.899 -1.958 -0.000) 2.154 4.088 ( 4.577 -1.275 -0.000) 4.751 4.305 ( 2.141 11.731 0.000) 11.925 4.854 ( 3.299 -1.075 -0.000) 3.470 4.935 ( -10.751 2.294 0.000) 10.993 5.489 ( -4.563 -13.270 -0.000) 14.033 6.008 ( -0.157 10.687 0.000) 10.688 6.383 ( -0.652 -4.201 -0.000) 4.251 6.568 ( 4.151 -3.133 -0.000) 5.201 6.575 ( 4.747 0.421 -0.000) 4.766 8.058 ( 3.173 2.558 -0.000) 4.076 8.114 ( -3.234 -0.791 0.000) 3.329 8.161 ( -1.756 6.305 0.000) 6.545 8.565 ( -2.580 3.544 0.000) 4.383 8.846 ( 5.304 -3.896 -0.000) 6.581 8.988 ( 3.472 -11.783 -0.000) 12.284 9.118 ( -1.613 0.563 0.000) 1.708 9.174 ( -2.326 -2.184 0.000) 3.191 9.215 ( -0.567 2.032 0.000) 2.110 9.422 ( 0.496 -2.426 -0.000) 2.476 9.555 ( 0.725 11.398 0.000) 11.421 9.837 ( 0.022 0.303 0.000) 0.304 9.908 ( 0.562 -3.112 -0.000) 3.162 9.916 ( -1.710 2.154 0.000) 2.750 9.951 ( 2.227 -1.623 -0.000) 2.756 9.980 ( -1.780 -5.116 -0.000) 5.417 10.155 ( 2.130 3.306 0.000) 3.933 10.347 ( 2.156 -1.712 -0.000) 2.753 ======================= Grid point 14 (14/60) ======================= q-point: ( 0.16 0.18 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 18.672 7.309 1.167) 20.085 1.052 ( 13.704 6.764 8.708) 17.589 1.588 ( 4.812 -7.134 0.569) 8.624 1.690 ( -2.481 -8.028 -2.207) 8.688 1.783 ( 10.112 1.609 8.005) 12.997 1.826 ( 7.644 3.100 9.659) 12.702 1.908 ( -4.034 4.147 0.032) 5.785 1.940 ( -2.508 2.416 0.489) 3.517 1.955 ( -0.647 0.950 0.703) 1.347 2.108 ( 2.093 6.428 -2.697) 7.278 2.173 ( 4.331 -2.922 -2.652) 5.859 2.240 ( 1.367 -1.797 -3.051) 3.796 2.267 ( -2.938 -8.841 2.387) 9.617 2.318 ( 1.056 0.741 -5.272) 5.428 2.402 ( 1.454 0.598 -0.439) 1.632 2.562 ( 2.448 2.231 1.476) 3.626 2.600 ( 0.684 1.494 1.847) 2.472 2.667 ( 6.070 -3.208 -3.167) 7.561 2.725 ( 2.370 3.149 -4.269) 5.810 2.893 ( -0.382 -0.448 0.510) 0.779 3.019 ( -5.611 -3.073 0.303) 6.405 3.055 ( -9.760 -4.607 -1.679) 10.923 3.235 ( -0.597 2.062 1.548) 2.647 3.262 ( -12.263 4.502 -0.650) 13.079 3.439 ( -6.863 -0.319 2.074) 7.177 3.603 ( -3.282 -1.692 -1.177) 3.875 3.920 ( -8.478 -0.503 -1.179) 8.575 4.012 ( -5.626 -2.601 -0.487) 6.217 4.366 ( 1.836 7.985 3.985) 9.112 4.769 ( -3.813 -1.534 -0.880) 4.203 5.189 ( 12.200 1.849 0.572) 12.353 5.586 ( 6.553 -11.161 -1.335) 13.011 5.997 ( 2.211 10.272 -1.986) 10.693 6.411 ( -1.553 -4.691 1.881) 5.287 6.422 ( -7.484 1.185 -1.195) 7.671 6.474 ( -5.611 -0.944 1.554) 5.898 7.998 ( -3.155 0.255 0.524) 3.208 8.186 ( 3.318 -0.986 -0.508) 3.498 8.200 ( 2.048 7.797 0.066) 8.061 8.646 ( 5.350 1.178 -0.092) 5.479 8.700 ( -6.618 -1.005 -0.608) 6.721 8.885 ( -4.707 -7.278 -0.353) 8.675 9.174 ( 3.247 0.264 0.411) 3.283 9.212 ( -0.612 0.584 0.026) 0.846 9.258 ( 5.076 -2.757 -0.189) 5.780 9.398 ( -1.500 -1.883 0.076) 2.409 9.548 ( 1.224 9.171 -0.769) 9.284 9.856 ( -3.190 -1.875 3.974) 5.430 9.881 ( 0.966 -2.037 -0.322) 2.278 9.936 ( 1.581 0.947 -1.603) 2.442 9.956 ( 1.028 -0.575 0.401) 1.244 9.997 ( 0.742 -3.347 -0.075) 3.429 10.084 ( -3.703 4.432 -0.218) 5.779 10.278 ( -3.983 -1.059 -0.255) 4.129 ======================= Grid point 15 (15/60) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 10.762 0.000 3.657) 11.367 1.649 ( -1.400 0.000 0.201) 1.414 1.650 ( -0.926 -0.000 -0.367) 0.996 1.684 ( 8.166 -0.000 -0.781) 8.204 1.787 ( 7.365 -0.000 -1.118) 7.449 1.831 ( 0.095 0.000 1.465) 1.468 1.931 ( -1.619 0.000 0.448) 1.680 1.992 ( -4.894 -0.000 -2.566) 5.526 2.059 ( 5.577 0.000 2.849) 6.262 2.084 ( -1.628 0.000 4.069) 4.382 2.130 ( 0.909 -0.000 -3.020) 3.154 2.215 ( -6.146 0.000 1.267) 6.275 2.343 ( -0.300 -0.000 -2.047) 2.069 2.376 ( -2.544 0.000 3.668) 4.464 2.464 ( -4.070 -0.000 -1.398) 4.304 2.536 ( -2.399 -0.000 -2.597) 3.536 2.663 ( -1.585 0.000 0.742) 1.750 2.676 ( 2.170 -0.000 -3.105) 3.788 2.723 ( 0.317 -0.000 -1.425) 1.460 2.797 ( -2.898 -0.000 -0.935) 3.045 2.989 ( 2.520 0.000 0.660) 2.605 3.002 ( 0.275 0.000 2.484) 2.500 3.189 ( 14.792 0.000 0.788) 14.813 3.318 ( 9.595 0.000 1.252) 9.677 3.349 ( 3.280 0.000 0.961) 3.417 3.444 ( -3.833 -0.000 -0.628) 3.885 3.497 ( -12.650 0.000 -0.202) 12.652 3.603 ( -13.368 -0.000 -0.868) 13.396 4.485 ( 5.448 0.000 2.500) 5.994 4.635 ( -4.067 -0.000 -1.484) 4.330 5.636 ( 9.147 -0.000 -0.213) 9.150 5.780 ( -4.593 0.000 0.049) 4.594 6.136 ( -0.875 -0.000 -0.260) 0.913 6.148 ( 9.151 -0.000 -0.830) 9.189 6.172 ( -5.209 0.000 1.269) 5.361 6.299 ( -7.141 0.000 0.975) 7.207 8.129 ( 6.068 -0.000 0.304) 6.075 8.155 ( 4.737 -0.000 -0.378) 4.752 8.257 ( -4.807 0.000 -0.001) 4.807 8.296 ( -8.916 0.000 -0.283) 8.920 8.944 ( 7.068 -0.000 0.048) 7.068 9.024 ( 9.036 -0.000 0.261) 9.039 9.076 ( -5.283 0.000 -0.121) 5.284 9.208 ( -7.951 0.000 0.416) 7.962 9.384 ( 5.608 -0.000 0.290) 5.615 9.464 ( -1.028 -0.000 -0.175) 1.043 9.606 ( 6.603 -0.000 -0.406) 6.616 9.737 ( -7.635 0.000 0.743) 7.671 9.760 ( -0.186 0.000 3.905) 3.909 9.875 ( -2.964 -0.000 -2.831) 4.099 10.024 ( -0.189 0.000 0.718) 0.742 10.028 ( 1.171 -0.000 -0.644) 1.337 10.052 ( 3.558 0.000 1.972) 4.068 10.159 ( -1.876 -0.000 -1.471) 2.384 ======================= Grid point 16 (16/60) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -20.593 -0.000 -2.680) 20.767 0.986 ( -16.292 -0.000 -10.482) 19.372 1.643 ( -7.282 -0.000 -3.673) 8.156 1.735 ( -17.887 -0.000 -9.889) 20.439 1.807 ( 6.009 0.000 2.305) 6.436 1.831 ( 5.089 -0.000 -2.516) 5.677 1.908 ( 1.343 -0.000 -2.298) 2.662 1.916 ( 0.029 -0.000 -3.150) 3.150 1.933 ( -0.201 0.000 0.490) 0.530 1.976 ( -1.080 -0.000 -0.184) 1.096 2.231 ( -4.759 0.000 7.563) 8.936 2.233 ( -5.120 0.000 3.412) 6.153 2.310 ( 3.337 0.000 2.631) 4.249 2.371 ( -0.642 0.000 1.490) 1.622 2.442 ( 1.561 -0.000 -3.870) 4.173 2.493 ( -6.060 0.000 0.136) 6.062 2.581 ( 0.401 -0.000 -1.853) 1.896 2.691 ( -1.026 0.000 5.198) 5.298 2.696 ( -4.497 0.000 2.454) 5.123 2.892 ( -0.629 -0.000 -2.789) 2.859 3.038 ( 7.605 0.000 1.574) 7.766 3.116 ( 9.119 0.000 0.587) 9.138 3.203 ( 13.919 0.000 1.269) 13.977 3.237 ( -1.674 0.000 0.171) 1.683 3.438 ( 7.669 -0.000 -2.519) 8.072 3.618 ( 3.743 0.000 0.770) 3.822 3.929 ( 9.165 0.000 1.278) 9.254 4.037 ( 5.527 0.000 0.695) 5.570 4.282 ( -3.999 -0.000 -4.516) 6.033 4.782 ( 3.695 0.000 0.686) 3.758 5.172 ( -12.450 -0.000 -0.661) 12.468 5.779 ( -7.741 0.000 1.159) 7.827 5.814 ( -0.468 0.000 2.256) 2.304 6.409 ( 7.833 0.000 1.217) 7.927 6.455 ( 0.683 -0.000 -1.941) 2.057 6.486 ( 7.544 -0.000 -1.534) 7.698 8.018 ( -0.040 -0.000 -0.712) 0.713 8.080 ( 1.449 0.000 0.226) 1.467 8.218 ( -5.550 0.000 0.460) 5.569 8.636 ( -6.519 0.000 0.116) 6.520 8.704 ( 9.293 0.000 0.523) 9.308 8.956 ( 5.581 0.000 0.569) 5.610 9.171 ( -3.518 -0.000 -0.473) 3.550 9.199 ( 0.542 0.000 0.088) 0.549 9.366 ( -3.287 0.000 0.394) 3.310 9.386 ( -4.438 0.000 0.348) 4.452 9.415 ( 1.822 -0.000 -0.043) 1.822 9.868 ( 1.576 -0.000 -4.487) 4.756 9.925 ( 0.410 0.000 -0.429) 0.593 9.925 ( -1.951 0.000 1.466) 2.441 9.955 ( -1.676 0.000 0.486) 1.745 10.031 ( 4.868 0.000 0.389) 4.884 10.034 ( -0.105 0.000 0.403) 0.417 10.285 ( 4.229 -0.000 0.173) 4.232 ======================= Grid point 17 (17/60) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 20.733 -0.000 -0.000) 20.733 0.475 ( 22.679 -0.000 -0.000) 22.679 0.804 ( 37.378 -0.000 -0.000) 37.378 1.709 ( -2.888 0.000 0.000) 2.888 1.857 ( -2.639 0.000 0.000) 2.639 1.903 ( -0.894 0.000 0.000) 0.894 1.929 ( -2.236 0.000 0.000) 2.236 1.942 ( 0.041 -0.000 -0.000) 0.041 1.965 ( -5.731 0.000 0.000) 5.731 2.033 ( -5.456 0.000 0.000) 5.456 2.187 ( 4.689 -0.000 -0.000) 4.689 2.239 ( 2.874 -0.000 -0.000) 2.874 2.262 ( 8.369 -0.000 -0.000) 8.369 2.365 ( 1.747 -0.000 -0.000) 1.747 2.424 ( -2.659 0.000 0.000) 2.659 2.456 ( -5.627 0.000 0.000) 5.627 2.599 ( 5.771 -0.000 -0.000) 5.771 2.648 ( 7.634 -0.000 -0.000) 7.634 2.709 ( -6.187 0.000 0.000) 6.187 2.862 ( -0.337 0.000 0.000) 0.337 3.167 ( -2.885 0.000 0.000) 2.885 3.223 ( 0.728 -0.000 -0.000) 0.728 3.320 ( -8.511 0.000 0.000) 8.511 3.498 ( -10.732 0.000 0.000) 10.732 3.552 ( -5.615 0.000 0.000) 5.615 3.688 ( -1.725 0.000 0.000) 1.725 4.100 ( -0.055 0.000 0.000) 0.055 4.141 ( 3.227 -0.000 -0.000) 3.227 4.145 ( -9.075 0.000 0.000) 9.075 4.863 ( -3.227 0.000 0.000) 3.227 4.913 ( 10.868 -0.000 -0.000) 10.868 5.666 ( 4.596 -0.000 -0.000) 4.596 5.855 ( -0.506 0.000 0.000) 0.506 6.418 ( 0.901 -0.000 -0.000) 0.901 6.572 ( -5.060 0.000 0.000) 5.060 6.606 ( -4.957 0.000 0.000) 4.957 8.011 ( -0.270 0.000 0.000) 0.270 8.121 ( -1.835 0.000 0.000) 1.835 8.126 ( 3.420 -0.000 -0.000) 3.420 8.531 ( 3.594 -0.000 -0.000) 3.594 8.873 ( -5.745 0.000 0.000) 5.745 9.107 ( -6.684 0.000 0.000) 6.684 9.113 ( 1.702 -0.000 -0.000) 1.702 9.194 ( 0.533 -0.000 -0.000) 0.533 9.314 ( 3.663 -0.000 -0.000) 3.663 9.317 ( 1.842 -0.000 -0.000) 1.842 9.445 ( -0.580 0.000 0.000) 0.580 9.835 ( -0.010 0.000 0.000) 0.010 9.894 ( 2.342 -0.000 -0.000) 2.342 9.937 ( 0.402 -0.000 -0.000) 0.402 9.968 ( -3.389 0.000 0.000) 3.389 10.052 ( -0.421 0.000 0.000) 0.421 10.120 ( -2.534 0.000 0.000) 2.534 10.361 ( -2.533 0.000 0.000) 2.533 ======================= Grid point 18 (18/60) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 13.832 -2.283 -0.000) 14.019 1.431 ( 18.227 -5.999 -0.000) 19.189 1.650 ( -1.658 1.811 0.000) 2.455 1.654 ( 3.518 4.366 0.000) 5.607 1.741 ( 1.995 2.646 0.000) 3.313 1.809 ( -3.099 -0.010 0.000) 3.099 1.866 ( -2.128 -2.568 -0.000) 3.335 1.939 ( -0.469 0.102 0.000) 0.480 2.035 ( 10.710 -6.530 -0.000) 12.544 2.143 ( -0.436 -7.105 -0.000) 7.118 2.175 ( -3.381 3.508 0.000) 4.872 2.201 ( -0.964 9.343 0.000) 9.392 2.386 ( 0.355 -0.621 -0.000) 0.715 2.399 ( 0.959 5.133 0.000) 5.222 2.425 ( -4.862 0.614 0.000) 4.901 2.635 ( 12.226 -3.377 -0.000) 12.684 2.652 ( 4.216 -1.861 -0.000) 4.608 2.737 ( -1.119 3.990 0.000) 4.144 2.813 ( -5.882 -1.529 0.000) 6.077 2.824 ( 1.276 -1.064 -0.000) 1.661 2.923 ( -0.105 -4.126 -0.000) 4.127 2.975 ( -0.239 0.767 0.000) 0.804 3.070 ( -4.558 -5.010 0.000) 6.773 3.144 ( -4.408 6.304 0.000) 7.693 3.342 ( 0.444 -2.263 -0.000) 2.306 3.527 ( -4.873 1.127 0.000) 5.001 3.735 ( -10.477 0.203 0.000) 10.479 3.852 ( -10.134 2.198 0.000) 10.370 4.378 ( 3.679 -4.701 -0.000) 5.969 4.711 ( -3.202 1.382 0.000) 3.488 5.430 ( 11.385 -1.379 -0.000) 11.469 5.716 ( 4.480 8.019 0.000) 9.186 6.075 ( 3.456 -7.730 -0.000) 8.467 6.268 ( -7.281 -2.537 0.000) 7.710 6.275 ( -7.407 1.877 0.000) 7.641 6.387 ( -2.502 1.145 0.000) 2.751 7.953 ( -0.373 2.835 0.000) 2.860 8.211 ( -3.080 7.783 0.000) 8.370 8.251 ( 3.439 -11.335 -0.000) 11.845 8.584 ( -5.350 -6.114 0.000) 8.124 8.778 ( 6.914 1.087 -0.000) 6.999 8.834 ( 1.874 6.303 0.000) 6.575 9.173 ( -3.017 -0.839 0.000) 3.131 9.241 ( 2.386 1.312 -0.000) 2.723 9.344 ( -1.713 -0.525 0.000) 1.792 9.373 ( 5.397 2.845 -0.000) 6.101 9.591 ( 2.126 -6.939 -0.000) 7.258 9.728 ( -2.833 1.099 0.000) 3.039 9.871 ( -3.651 0.978 0.000) 3.779 9.956 ( -2.147 1.246 0.000) 2.483 9.970 ( 0.934 0.642 -0.000) 1.133 10.016 ( 0.808 0.327 -0.000) 0.872 10.026 ( -0.158 -3.371 -0.000) 3.374 10.204 ( -2.789 0.769 0.000) 2.893 ======================= Grid point 19 (19/60) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -14.361 -1.889 -4.444) 15.151 1.506 ( -8.861 1.551 -8.305) 12.243 1.608 ( -0.267 4.668 0.291) 4.685 1.762 ( 2.302 -3.436 -0.785) 4.209 1.838 ( 0.137 0.450 -0.380) 0.605 1.879 ( -2.152 2.972 0.549) 3.710 1.894 ( 0.086 1.180 0.037) 1.184 1.951 ( 0.452 0.176 1.565) 1.638 1.989 ( -1.376 1.350 -0.901) 2.128 2.075 ( 6.578 3.524 3.219) 8.127 2.192 ( -4.865 -1.274 -1.449) 5.233 2.228 ( 3.343 4.991 0.704) 6.048 2.317 ( -0.685 0.126 -1.859) 1.985 2.412 ( 0.518 0.121 -0.236) 0.582 2.424 ( -7.442 -5.764 -2.787) 9.817 2.573 ( 3.694 -2.048 5.710) 7.102 2.624 ( -1.623 -5.827 3.319) 6.900 2.696 ( 0.135 -2.557 -0.047) 2.561 2.763 ( -8.504 1.307 -1.424) 8.721 2.819 ( 1.000 2.423 -0.257) 2.633 2.874 ( -1.349 3.783 2.378) 4.668 3.029 ( 3.995 -3.276 0.684) 5.212 3.066 ( -1.940 -2.680 -1.876) 3.803 3.252 ( 3.370 2.977 -2.186) 5.000 3.379 ( 1.833 -1.241 -1.291) 2.563 3.499 ( 3.953 1.573 1.001) 4.371 3.718 ( 9.376 0.095 0.395) 9.385 3.826 ( 10.414 1.712 0.699) 10.577 4.501 ( -2.187 -3.740 -3.159) 5.362 4.665 ( 3.636 2.013 1.306) 4.357 5.438 ( -10.493 -1.240 -0.223) 10.568 5.697 ( -5.615 7.554 0.539) 9.428 6.035 ( -4.595 -7.201 1.111) 8.614 6.250 ( 6.408 -1.953 0.352) 6.708 6.342 ( 7.906 2.266 -1.695) 8.397 6.437 ( 3.167 1.242 -1.303) 3.643 7.958 ( 0.916 2.672 -0.097) 2.827 8.194 ( 2.543 7.497 0.406) 7.927 8.244 ( -3.211 -10.978 0.217) 11.440 8.571 ( 5.139 -6.235 0.363) 8.088 8.779 ( -7.147 0.932 -0.044) 7.207 8.848 ( -2.331 6.422 -0.323) 6.840 9.171 ( 2.944 -1.138 0.024) 3.156 9.261 ( -2.303 1.574 -0.504) 2.835 9.360 ( -0.214 0.684 -0.505) 0.877 9.375 ( -3.437 2.155 0.084) 4.058 9.568 ( -2.229 -5.644 0.731) 6.112 9.848 ( 2.261 2.957 -1.502) 4.014 9.888 ( 2.842 -0.376 1.668) 3.317 9.921 ( 3.995 1.130 -1.555) 4.434 9.993 ( -1.228 -0.562 -1.126) 1.759 10.018 ( -0.701 2.159 -0.268) 2.285 10.055 ( -1.433 -2.645 -1.701) 3.455 10.186 ( 3.668 0.816 0.496) 3.791 ======================= Grid point 20 (20/60) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -0.000 -11.599 -14.875) 18.863 0.661 ( -0.000 -11.740 -18.714) 22.092 1.030 ( -0.000 -23.962 -22.888) 33.137 1.559 ( 0.000 12.513 3.919) 13.113 1.704 ( 0.000 9.995 11.862) 15.511 1.864 ( 0.000 3.530 -6.761) 7.627 1.951 ( -0.000 -0.427 -0.246) 0.493 1.960 ( -0.000 -1.504 -1.132) 1.883 2.059 ( -0.000 -3.874 3.637) 5.314 2.059 ( -0.000 -0.539 7.435) 7.454 2.119 ( -0.000 -5.455 4.357) 6.982 2.225 ( -0.000 -6.656 1.360) 6.794 2.281 ( 0.000 7.410 -8.716) 11.440 2.345 ( 0.000 0.856 -1.222) 1.492 2.432 ( -0.000 0.272 1.385) 1.411 2.435 ( 0.000 5.650 2.582) 6.212 2.553 ( -0.000 -3.143 1.547) 3.503 2.615 ( 0.000 0.308 -0.997) 1.044 2.744 ( 0.000 10.045 2.493) 10.349 2.750 ( -0.000 -1.089 3.577) 3.739 3.171 ( 0.000 2.812 -1.544) 3.208 3.231 ( -0.000 -5.238 -0.991) 5.331 3.386 ( 0.000 2.983 0.551) 3.033 3.598 ( -0.000 -0.454 1.147) 1.233 3.625 ( 0.000 0.461 0.485) 0.669 3.662 ( 0.000 3.262 0.529) 3.305 4.079 ( 0.000 0.285 0.369) 0.466 4.131 ( 0.000 2.117 -0.247) 2.132 4.402 ( -0.000 -12.786 -3.608) 13.285 4.793 ( -0.000 -2.184 0.385) 2.218 4.904 ( 0.000 0.978 -0.756) 1.236 5.392 ( 0.000 14.737 3.643) 15.181 5.958 ( -0.000 -11.371 3.983) 12.048 6.412 ( 0.000 4.050 -2.846) 4.950 6.598 ( -0.000 -0.149 2.125) 2.130 6.621 ( 0.000 3.425 -0.732) 3.502 8.067 ( -0.000 -0.321 0.701) 0.771 8.126 ( 0.000 1.853 -0.263) 1.872 8.129 ( -0.000 -9.872 -1.357) 9.965 8.537 ( -0.000 -4.835 0.164) 4.838 8.882 ( 0.000 4.279 0.697) 4.336 8.994 ( 0.000 14.233 2.810) 14.507 9.104 ( -0.000 -0.597 -0.190) 0.626 9.154 ( -0.000 -0.094 0.214) 0.234 9.208 ( -0.000 -2.223 -0.245) 2.237 9.407 ( 0.000 1.965 1.529) 2.490 9.541 ( -0.000 -12.407 2.406) 12.638 9.838 ( 0.000 0.463 -0.075) 0.469 9.872 ( -0.000 -3.035 2.745) 4.092 9.907 ( 0.000 2.699 0.052) 2.700 9.923 ( 0.000 2.215 0.077) 2.216 10.018 ( 0.000 2.317 -2.490) 3.401 10.159 ( -0.000 -3.554 1.295) 3.783 10.367 ( 0.000 2.082 0.091) 2.084 ======================= Grid point 21 (21/60) ======================= q-point: (-0.48 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 13.545 -12.372 1.584) 18.413 1.213 ( 9.531 -9.710 -5.163) 14.552 1.414 ( 7.715 9.781 1.429) 12.539 1.551 ( 0.791 7.116 6.278) 9.522 1.777 ( -1.216 -1.178 -10.000) 10.142 1.943 ( -0.494 -0.783 0.091) 0.931 1.956 ( 0.652 -0.843 -0.927) 1.413 1.993 ( -0.609 -6.185 -2.788) 6.812 2.042 ( 7.086 -5.780 -5.278) 10.559 2.076 ( -0.356 4.140 2.880) 5.056 2.109 ( -0.583 3.777 -4.382) 5.815 2.181 ( -1.036 3.941 3.271) 5.225 2.233 ( 5.121 -4.718 3.468) 7.779 2.369 ( 0.306 -2.812 1.361) 3.139 2.409 ( 2.007 0.218 1.772) 2.687 2.534 ( 7.500 6.884 4.789) 11.251 2.596 ( 2.793 0.536 -2.501) 3.788 2.637 ( 3.172 -0.297 -0.039) 3.186 2.804 ( 3.056 -5.337 2.296) 6.565 2.853 ( 2.181 4.041 -1.956) 4.991 2.931 ( -7.131 3.929 -0.604) 8.164 2.981 ( -10.763 3.312 2.206) 11.475 3.322 ( -5.236 -4.786 -2.510) 7.525 3.345 ( -9.786 -3.997 0.714) 10.595 3.427 ( -4.318 -0.102 -2.093) 4.799 3.551 ( -2.237 4.025 2.107) 5.064 3.924 ( -7.821 -1.072 0.989) 7.956 3.951 ( -6.233 3.450 -0.179) 7.126 4.534 ( -1.513 -9.061 -2.987) 9.660 4.718 ( -3.590 4.218 1.639) 5.776 5.247 ( 11.517 -4.716 -0.555) 12.458 5.394 ( 9.017 9.111 0.953) 12.854 6.179 ( 0.978 -9.305 2.025) 9.573 6.289 ( -0.082 7.996 -2.025) 8.249 6.451 ( -5.618 0.339 -0.603) 5.661 6.455 ( -6.169 -0.813 0.504) 6.243 8.034 ( -3.312 -3.294 -0.580) 4.707 8.120 ( -0.264 4.050 0.553) 4.096 8.406 ( 2.625 -12.084 -0.198) 12.367 8.624 ( -0.125 8.756 0.552) 8.775 8.679 ( 1.866 -2.345 0.032) 2.997 8.743 ( -3.184 5.492 -0.005) 6.348 9.181 ( 2.888 -0.468 -0.327) 2.944 9.198 ( 2.455 0.769 0.157) 2.577 9.283 ( 0.838 -3.345 0.113) 3.450 9.347 ( -0.724 3.433 -0.110) 3.510 9.703 ( -0.528 -7.286 0.875) 7.358 9.787 ( -2.792 4.986 -1.974) 6.046 9.882 ( 1.455 -1.527 -0.270) 2.126 9.925 ( 1.021 2.542 -0.076) 2.741 9.941 ( 0.686 1.611 -1.229) 2.139 9.964 ( 1.389 -1.344 2.076) 2.837 10.167 ( -3.356 -4.254 -0.058) 5.419 10.241 ( -3.381 2.956 0.271) 4.499 ======================= Grid point 22 (22/60) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -3.164 3.752 0.000) 4.908 1.692 ( -2.925 2.461 0.000) 3.822 1.750 ( -6.667 0.956 0.000) 6.735 1.758 ( 0.211 -0.799 -0.000) 0.826 1.792 ( 4.908 -2.683 -0.000) 5.593 1.863 ( 0.134 -0.494 -0.000) 0.512 1.870 ( -4.645 2.217 0.000) 5.147 1.892 ( 0.257 2.319 0.000) 2.333 1.941 ( -0.917 1.723 0.000) 1.951 2.015 ( -0.377 0.637 0.000) 0.740 2.022 ( 8.561 -0.216 -0.000) 8.564 2.295 ( 2.246 -0.704 -0.000) 2.354 2.327 ( 0.891 1.464 0.000) 1.714 2.368 ( 0.200 -4.772 -0.000) 4.776 2.441 ( -0.205 2.759 0.000) 2.767 2.656 ( 0.064 -4.432 -0.000) 4.432 2.711 ( -0.195 2.378 0.000) 2.386 2.729 ( -2.486 -1.406 0.000) 2.856 2.792 ( -2.528 -1.342 0.000) 2.862 2.874 ( 3.718 -5.256 -0.000) 6.439 2.880 ( -0.410 -0.263 0.000) 0.487 3.160 ( 1.040 1.469 0.000) 1.800 3.164 ( -12.857 2.461 0.000) 13.090 3.189 ( -8.737 1.790 0.000) 8.918 3.349 ( 6.966 0.864 -0.000) 7.019 3.392 ( 3.063 1.603 -0.000) 3.457 3.530 ( 7.501 -2.902 -0.000) 8.043 3.582 ( 7.481 1.122 -0.000) 7.564 4.533 ( 2.211 1.838 -0.000) 2.875 4.605 ( -0.235 -1.191 -0.000) 1.214 5.661 ( -6.776 -1.892 0.000) 7.035 5.700 ( -3.438 2.711 0.000) 4.379 6.087 ( 3.018 -0.834 -0.000) 3.131 6.152 ( 6.323 2.221 -0.000) 6.702 6.287 ( -2.063 -3.639 -0.000) 4.183 6.379 ( 1.599 0.525 -0.000) 1.683 7.915 ( 0.302 0.725 0.000) 0.785 7.958 ( 3.739 5.051 0.000) 6.284 8.517 ( -2.968 -8.327 -0.000) 8.840 8.594 ( 3.252 -3.994 -0.000) 5.150 8.837 ( -5.540 4.800 0.000) 7.330 8.873 ( -5.145 3.345 0.000) 6.137 9.130 ( 2.529 -1.127 -0.000) 2.769 9.145 ( 5.323 1.950 -0.000) 5.669 9.438 ( -3.508 -0.737 0.000) 3.584 9.443 ( -3.340 0.458 0.000) 3.371 9.653 ( -1.095 -1.739 -0.000) 2.056 9.791 ( 4.148 -0.744 -0.000) 4.215 9.798 ( 1.754 -0.021 -0.000) 1.754 9.820 ( 2.966 1.716 -0.000) 3.427 9.983 ( -0.457 1.847 0.000) 1.902 10.053 ( -0.377 -0.928 -0.000) 1.002 10.094 ( 1.929 0.992 -0.000) 2.169 10.123 ( -0.755 0.032 0.000) 0.755 ======================= Grid point 23 (23/60) ======================= q-point: (-0.48 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -2.859 -8.446 -12.886) 15.670 1.227 ( -5.770 15.187 0.576) 16.256 1.302 ( -4.005 1.767 -2.754) 5.172 1.349 ( -6.141 3.254 -4.881) 8.493 1.816 ( -0.621 0.996 12.399) 12.455 1.933 ( -0.114 -3.002 6.002) 6.712 1.958 ( -0.258 -1.271 -0.391) 1.354 1.963 ( -2.891 2.837 3.974) 5.674 2.007 ( -2.069 -1.802 -4.558) 5.320 2.033 ( -7.626 -8.778 -7.028) 13.587 2.074 ( 0.828 -2.145 0.930) 2.480 2.208 ( -3.365 8.744 1.503) 9.489 2.242 ( 4.311 2.917 -2.753) 5.888 2.296 ( 1.107 4.330 -4.375) 6.254 2.369 ( 0.623 -4.097 0.040) 4.145 2.430 ( -0.333 0.923 -1.329) 1.652 2.533 ( -2.913 -2.985 3.921) 5.725 2.545 ( -1.424 -0.319 3.947) 4.208 2.687 ( -2.032 -7.299 1.006) 7.643 2.800 ( -5.256 3.385 -0.406) 6.265 3.133 ( 8.321 4.553 2.550) 9.822 3.152 ( 7.891 -0.932 -2.346) 8.285 3.433 ( 0.719 -7.971 -2.710) 8.450 3.492 ( -0.092 6.463 2.965) 7.111 3.529 ( 7.151 -2.187 0.512) 7.495 3.580 ( 4.542 2.241 -0.717) 5.115 4.025 ( 4.515 -0.061 1.102) 4.647 4.061 ( 3.011 0.429 -0.724) 3.127 4.670 ( 4.467 -10.114 -2.842) 11.416 4.773 ( 5.935 6.726 1.606) 9.112 5.027 ( -11.244 -6.763 -0.967) 13.157 5.155 ( -10.259 10.793 1.962) 15.020 6.092 ( -1.089 -11.161 3.061) 11.624 6.346 ( 0.269 8.802 -2.296) 9.100 6.520 ( 3.294 -0.873 1.558) 3.747 6.582 ( 3.129 1.131 -1.695) 3.734 8.084 ( -1.550 0.227 0.476) 1.637 8.092 ( 0.783 -0.051 -0.397) 0.880 8.400 ( 0.317 -14.125 -1.126) 14.174 8.630 ( 1.806 12.991 1.466) 13.198 8.658 ( -0.362 -6.064 -0.108) 6.076 8.772 ( -0.013 7.051 0.395) 7.062 9.140 ( -1.647 -0.680 -0.219) 1.795 9.147 ( -1.065 0.646 0.195) 1.261 9.280 ( -0.085 -3.948 -0.247) 3.957 9.340 ( -0.800 3.173 0.596) 3.326 9.694 ( 0.670 -8.862 1.052) 8.950 9.822 ( 0.377 2.252 0.534) 2.345 9.863 ( -1.587 1.402 -0.343) 2.145 9.882 ( -1.137 -1.572 1.776) 2.630 9.902 ( -1.357 1.700 0.127) 2.179 10.005 ( 1.285 3.078 -2.715) 4.300 10.213 ( 1.232 -4.916 0.196) 5.072 10.293 ( 1.877 3.335 -0.003) 3.827 ======================= Grid point 25 (24/60) ======================= q-point: ( 0.31 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 2.634 -3.028 -1.920) 4.449 1.612 ( 3.675 -1.739 4.872) 6.345 1.759 ( 10.190 2.030 -1.308) 10.472 1.774 ( -2.306 2.698 -0.540) 3.590 1.790 ( -4.026 2.217 0.024) 4.596 1.865 ( -0.705 -2.142 -0.615) 2.337 1.884 ( 2.301 -2.165 0.533) 3.204 1.900 ( 1.814 -2.158 2.305) 3.641 1.955 ( -0.046 -0.060 -2.293) 2.294 2.017 ( -0.756 -2.923 -0.800) 3.123 2.051 ( -5.550 0.213 -2.585) 6.126 2.188 ( -1.080 -2.555 5.433) 6.101 2.310 ( -1.555 1.545 -1.548) 2.683 2.387 ( -1.534 0.107 2.022) 2.540 2.550 ( -1.212 0.240 -6.385) 6.503 2.632 ( 2.324 4.295 3.471) 5.991 2.677 ( 0.999 0.485 -0.248) 1.138 2.730 ( -0.410 3.042 1.088) 3.256 2.776 ( 0.082 -0.901 -0.921) 1.291 2.839 ( -0.947 -0.341 2.191) 2.412 2.974 ( 0.532 3.889 -4.943) 6.312 3.124 ( -2.736 -1.030 3.064) 4.235 3.161 ( 12.582 -1.202 0.243) 12.641 3.182 ( 10.845 -2.396 0.546) 11.120 3.359 ( -6.243 -0.555 -0.601) 6.297 3.389 ( -3.622 -1.945 0.196) 4.116 3.533 ( -7.158 2.803 -0.301) 7.693 3.583 ( -8.029 -1.529 -0.066) 8.173 4.557 ( -1.980 -1.553 -1.818) 3.105 4.580 ( 0.395 1.269 2.008) 2.409 5.661 ( 6.773 1.805 0.008) 7.010 5.702 ( 3.395 -2.748 -0.136) 4.370 6.095 ( -3.203 1.011 -0.582) 3.409 6.142 ( -5.978 -2.019 0.825) 6.364 6.298 ( 2.159 3.755 -0.923) 4.429 6.365 ( -1.505 -0.510 1.063) 1.912 7.916 ( -0.228 -0.744 -0.058) 0.780 7.959 ( -3.877 -5.109 -0.057) 6.414 8.522 ( 2.913 8.455 -0.315) 8.949 8.592 ( -3.302 3.646 0.183) 4.922 8.843 ( 5.883 -4.431 -0.449) 7.379 8.867 ( 4.886 -3.568 0.493) 6.070 9.127 ( -2.729 1.132 0.252) 2.965 9.147 ( -4.979 -1.778 -0.098) 5.288 9.436 ( 3.652 0.798 0.147) 3.741 9.444 ( 3.268 -0.442 -0.071) 3.299 9.681 ( 1.408 2.666 -1.942) 3.586 9.775 ( -1.329 -0.532 2.021) 2.476 9.804 ( -4.101 -0.132 -1.009) 4.225 9.812 ( -3.594 -0.846 0.495) 3.725 9.993 ( 0.637 -1.240 -0.889) 1.654 10.027 ( 0.708 0.179 1.906) 2.041 10.106 ( -1.701 -0.991 -0.867) 2.151 10.109 ( 0.537 0.618 1.024) 1.311 ======================= Grid point 26 (25/60) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -9.204 12.179 0.000) 15.265 1.248 ( -15.847 13.378 0.000) 20.739 1.510 ( -2.354 -3.757 -0.000) 4.434 1.574 ( -1.864 -4.971 -0.000) 5.309 1.648 ( 2.484 -3.448 -0.000) 4.250 1.878 ( -17.719 14.862 0.000) 23.127 1.943 ( 0.299 0.353 0.000) 0.463 1.955 ( 1.132 0.986 -0.000) 1.501 1.990 ( -4.297 -9.937 -0.000) 10.826 2.033 ( 4.875 5.539 -0.000) 7.379 2.116 ( 2.253 -5.627 -0.000) 6.061 2.225 ( -0.673 -2.769 -0.000) 2.850 2.287 ( -1.485 5.609 0.000) 5.802 2.428 ( -1.870 0.257 0.000) 1.887 2.477 ( -4.195 2.021 0.000) 4.656 2.489 ( 4.250 -4.229 -0.000) 5.996 2.597 ( -3.633 1.748 0.000) 4.032 2.632 ( -6.385 -4.802 0.000) 7.989 2.819 ( -1.728 -6.406 -0.000) 6.635 2.841 ( -3.380 4.841 0.000) 5.904 2.926 ( 5.602 -4.738 -0.000) 7.337 3.012 ( 10.232 -3.748 -0.000) 10.897 3.287 ( 5.196 5.753 -0.000) 7.752 3.353 ( 9.257 4.284 -0.000) 10.200 3.399 ( 4.709 -0.460 -0.000) 4.732 3.577 ( 2.879 -3.433 -0.000) 4.481 3.937 ( 8.293 0.760 -0.000) 8.328 3.950 ( 5.959 -3.958 -0.000) 7.154 4.495 ( 1.237 9.799 0.000) 9.877 4.738 ( 3.407 -3.475 -0.000) 4.867 5.241 ( -11.702 4.616 0.000) 12.579 5.406 ( -8.418 -9.386 0.000) 12.608 6.204 ( -0.519 9.290 0.000) 9.304 6.263 ( -0.215 -8.113 -0.000) 8.116 6.434 ( 5.133 -1.265 -0.000) 5.286 6.470 ( 6.909 1.964 -0.000) 7.183 8.027 ( 3.223 3.266 -0.000) 4.588 8.127 ( 0.252 -4.031 -0.000) 4.039 8.404 ( -3.079 11.938 0.000) 12.329 8.631 ( 0.685 -9.038 -0.000) 9.064 8.679 ( -1.855 2.305 0.000) 2.959 8.743 ( 3.338 -5.511 -0.000) 6.443 9.176 ( -2.919 0.520 0.000) 2.965 9.200 ( -2.255 -0.561 0.000) 2.324 9.285 ( -1.096 3.299 0.000) 3.476 9.346 ( 1.030 -3.435 -0.000) 3.586 9.713 ( 0.435 7.071 0.000) 7.085 9.756 ( 3.502 -4.142 -0.000) 5.424 9.881 ( -1.154 1.543 0.000) 1.927 9.924 ( -1.024 -1.552 -0.000) 1.860 9.929 ( -1.152 -2.875 -0.000) 3.098 9.991 ( -1.314 1.756 0.000) 2.194 10.167 ( 3.665 4.081 -0.000) 5.485 10.244 ( 3.288 -2.976 -0.000) 4.435 ======================= Grid point 27 (26/60) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 20.227 0.000) 20.227 0.415 ( 0.000 22.146 0.000) 22.146 0.678 ( 0.000 35.846 0.000) 35.846 1.664 ( -0.000 -7.604 -0.000) 7.604 1.722 ( -0.000 -9.321 -0.000) 9.321 1.933 ( -0.000 -1.561 -0.000) 1.561 1.950 ( -0.000 -6.718 -0.000) 6.718 1.950 ( 0.000 2.301 0.000) 2.301 2.056 ( -0.000 -8.637 -0.000) 8.637 2.089 ( 0.000 6.750 0.000) 6.750 2.148 ( 0.000 0.495 0.000) 0.495 2.212 ( 0.000 5.321 0.000) 5.321 2.251 ( 0.000 3.142 0.000) 3.142 2.330 ( 0.000 0.562 0.000) 0.562 2.451 ( -0.000 -0.656 -0.000) 0.656 2.471 ( -0.000 -4.388 -0.000) 4.388 2.575 ( 0.000 2.137 0.000) 2.137 2.579 ( 0.000 2.599 0.000) 2.599 2.772 ( -0.000 -8.688 -0.000) 8.688 2.788 ( 0.000 0.668 0.000) 0.668 3.153 ( -0.000 -4.289 -0.000) 4.289 3.217 ( 0.000 2.175 0.000) 2.175 3.391 ( -0.000 -1.760 -0.000) 1.760 3.614 ( -0.000 -0.600 -0.000) 0.600 3.621 ( 0.000 0.461 0.000) 0.461 3.678 ( -0.000 -2.637 -0.000) 2.637 4.085 ( -0.000 -1.120 -0.000) 1.120 4.122 ( 0.000 0.771 0.000) 0.771 4.362 ( 0.000 10.636 0.000) 10.636 4.798 ( 0.000 2.206 0.000) 2.206 4.894 ( -0.000 -0.875 -0.000) 0.875 5.437 ( -0.000 -14.348 -0.000) 14.348 6.007 ( 0.000 10.736 0.000) 10.736 6.375 ( -0.000 -3.874 -0.000) 3.874 6.612 ( -0.000 -3.993 -0.000) 3.993 6.627 ( 0.000 0.093 0.000) 0.093 8.076 ( 0.000 0.147 0.000) 0.147 8.112 ( 0.000 9.842 0.000) 9.842 8.123 ( -0.000 -1.785 -0.000) 1.785 8.539 ( 0.000 4.556 0.000) 4.556 8.891 ( -0.000 -4.269 -0.000) 4.269 9.035 ( -0.000 -15.302 -0.000) 15.302 9.101 ( 0.000 0.698 0.000) 0.698 9.157 ( -0.000 -0.037 -0.000) 0.037 9.205 ( 0.000 2.156 0.000) 2.156 9.425 ( -0.000 -2.472 -0.000) 2.472 9.578 ( 0.000 9.866 0.000) 9.866 9.836 ( 0.000 0.296 0.000) 0.296 9.908 ( -0.000 -2.821 -0.000) 2.821 9.912 ( 0.000 2.614 0.000) 2.614 9.925 ( -0.000 -2.504 -0.000) 2.504 9.986 ( -0.000 -2.390 -0.000) 2.390 10.176 ( 0.000 3.011 0.000) 3.011 10.368 ( -0.000 -2.107 -0.000) 2.107 ======================= Grid point 28 (27/60) ======================= q-point: ( 0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 12.625 1.172 6.133) 14.084 1.398 ( 18.299 5.056 -1.228) 19.025 1.634 ( -1.412 -3.450 -1.285) 3.943 1.701 ( 3.436 -3.019 3.677) 5.869 1.786 ( -3.975 3.457 2.450) 5.810 1.818 ( 2.637 -5.595 2.128) 6.542 1.884 ( -2.643 1.757 1.080) 3.352 1.951 ( -0.254 -0.076 1.095) 1.127 2.048 ( 1.405 2.517 -1.833) 3.416 2.142 ( -2.911 -3.331 -1.374) 4.632 2.169 ( 2.485 8.225 1.274) 8.686 2.213 ( -0.336 -6.102 0.985) 6.191 2.331 ( 1.574 -7.088 -3.384) 8.010 2.394 ( -1.525 0.709 0.611) 1.790 2.409 ( 4.552 1.315 -1.090) 4.862 2.652 ( 5.045 5.533 0.156) 7.489 2.691 ( 4.936 0.878 2.231) 5.487 2.702 ( -3.208 -1.070 -2.672) 4.310 2.748 ( -0.632 1.244 -3.746) 3.997 2.816 ( -1.924 -0.343 0.142) 1.959 2.929 ( 1.828 -2.941 -1.685) 3.851 3.006 ( 0.822 2.722 2.936) 4.087 3.051 ( -4.599 4.024 -1.054) 6.201 3.188 ( -4.082 -4.323 2.949) 6.637 3.352 ( -0.293 2.076 0.875) 2.272 3.520 ( -4.606 -1.213 -0.645) 4.806 3.729 ( -10.062 -0.167 -0.434) 10.072 3.843 ( -10.225 -2.052 -0.668) 10.450 4.419 ( 3.203 4.367 3.248) 6.315 4.696 ( -3.345 -1.608 -1.154) 3.887 5.433 ( 11.073 1.333 0.194) 11.154 5.710 ( 4.856 -7.877 -0.468) 9.265 6.062 ( 3.835 7.570 -1.041) 8.549 6.261 ( -6.987 2.277 -0.483) 7.365 6.298 ( -7.543 -1.923 1.781) 7.986 6.404 ( -2.737 -1.198 1.307) 3.261 7.955 ( -0.554 -2.786 0.145) 2.845 8.205 ( -2.818 -7.471 -0.456) 7.998 8.249 ( 3.297 11.018 -0.168) 11.502 8.580 ( -5.275 6.152 -0.342) 8.111 8.778 ( 6.979 -1.046 0.031) 7.057 8.839 ( 2.047 -6.337 0.354) 6.669 9.172 ( -2.973 0.925 -0.061) 3.114 9.248 ( 2.339 -1.387 0.527) 2.770 9.349 ( -1.182 0.152 0.381) 1.251 9.374 ( 4.861 -2.677 0.078) 5.550 9.584 ( 2.166 6.598 -0.553) 6.967 9.780 ( -3.081 -1.796 3.797) 5.209 9.882 ( -3.459 -0.801 1.055) 3.704 9.934 ( -2.079 -0.416 -1.756) 2.753 9.976 ( 1.148 -0.799 0.427) 1.462 10.013 ( 0.806 -1.444 -0.015) 1.654 10.030 ( 0.034 3.706 0.493) 3.739 10.198 ( -3.090 -0.789 -0.439) 3.219 ======================= Grid point 30 (28/60) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -11.774 -0.000 -14.726) 18.855 0.656 ( -14.361 -0.000 -15.402) 21.059 1.166 ( -26.802 -0.000 -21.911) 34.618 1.655 ( 1.607 0.000 2.654) 3.103 1.884 ( -1.373 0.000 5.240) 5.417 1.912 ( -0.087 -0.000 -0.595) 0.602 1.928 ( 3.418 0.000 0.660) 3.481 1.934 ( 1.036 -0.000 -3.929) 4.063 1.952 ( 2.132 0.000 0.330) 2.158 1.983 ( 2.466 0.000 3.254) 4.083 2.118 ( -5.171 0.000 3.700) 6.358 2.158 ( -2.091 0.000 5.588) 5.966 2.343 ( 0.189 -0.000 -3.262) 3.268 2.372 ( -0.368 -0.000 -0.612) 0.714 2.418 ( 0.951 -0.000 -0.262) 0.987 2.487 ( 1.999 -0.000 -0.165) 2.006 2.593 ( -3.996 -0.000 -0.656) 4.049 2.606 ( -4.832 0.000 2.045) 5.247 2.680 ( 5.326 0.000 4.150) 6.752 2.876 ( -0.639 -0.000 -0.915) 1.116 3.164 ( 3.837 0.000 1.167) 4.011 3.188 ( -1.625 0.000 1.824) 2.442 3.320 ( 8.648 -0.000 -0.013) 8.648 3.476 ( 10.305 0.000 1.791) 10.459 3.576 ( 4.986 -0.000 -1.672) 5.258 3.678 ( 1.817 0.000 0.685) 1.942 4.090 ( 0.020 0.000 0.751) 0.752 4.123 ( 9.124 0.000 1.665) 9.275 4.212 ( -2.632 -0.000 -5.515) 6.111 4.865 ( 3.591 -0.000 -0.100) 3.593 4.918 ( -11.092 0.000 -0.321) 11.097 5.641 ( -5.165 0.000 1.976) 5.531 5.804 ( -0.464 0.000 4.244) 4.269 6.452 ( -0.509 -0.000 -2.661) 2.709 6.545 ( 4.724 0.000 1.939) 5.107 6.614 ( 4.484 -0.000 -0.686) 4.536 8.025 ( 0.469 -0.000 -1.107) 1.202 8.115 ( -3.903 0.000 0.819) 3.988 8.123 ( 2.048 -0.000 -0.163) 2.054 8.527 ( -3.696 0.000 0.313) 3.710 8.865 ( 5.711 0.000 0.676) 5.751 9.083 ( 5.684 0.000 1.731) 5.941 9.116 ( -1.742 -0.000 -0.286) 1.765 9.195 ( -0.444 -0.000 -0.110) 0.457 9.292 ( -4.897 0.000 1.517) 5.127 9.310 ( -1.963 0.000 0.539) 2.036 9.430 ( -0.045 0.000 1.189) 1.190 9.854 ( -0.900 -0.000 -1.263) 1.551 9.868 ( -2.585 0.000 1.972) 3.252 9.934 ( -0.338 0.000 0.263) 0.429 9.994 ( 2.748 -0.000 -1.615) 3.187 10.019 ( -1.211 0.000 1.244) 1.736 10.102 ( 2.055 0.000 1.395) 2.483 10.359 ( 2.552 -0.000 0.131) 2.555 ======================= Grid point 31 (29/60) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 18.837 -0.000 -0.000) 18.837 0.939 ( 21.803 -0.000 -0.000) 21.803 1.513 ( 28.675 -0.000 -0.000) 28.675 1.676 ( 0.022 -0.000 -0.000) 0.022 1.774 ( -3.763 0.000 0.000) 3.763 1.839 ( -6.107 0.000 0.000) 6.107 1.875 ( -1.862 0.000 0.000) 1.862 1.891 ( -1.255 0.000 0.000) 1.255 1.943 ( 0.006 -0.000 -0.000) 0.006 1.966 ( -0.406 0.000 0.000) 0.406 2.310 ( 6.455 -0.000 -0.000) 6.455 2.339 ( 6.953 -0.000 -0.000) 6.953 2.348 ( -4.102 0.000 0.000) 4.102 2.350 ( -3.338 0.000 0.000) 3.338 2.400 ( 1.751 -0.000 -0.000) 1.751 2.469 ( 10.752 -0.000 -0.000) 10.752 2.560 ( -7.648 0.000 0.000) 7.648 2.727 ( 5.770 -0.000 -0.000) 5.770 2.786 ( 4.488 -0.000 -0.000) 4.488 2.823 ( -3.170 0.000 0.000) 3.170 3.053 ( -8.010 0.000 0.000) 8.010 3.124 ( -8.520 0.000 0.000) 8.520 3.218 ( -15.197 0.000 0.000) 15.197 3.243 ( 1.288 -0.000 -0.000) 1.288 3.406 ( -7.860 0.000 0.000) 7.860 3.628 ( -3.845 0.000 0.000) 3.845 3.946 ( -9.644 0.000 0.000) 9.644 4.046 ( -5.544 0.000 0.000) 5.544 4.224 ( 4.634 -0.000 -0.000) 4.634 4.791 ( -3.388 0.000 0.000) 3.388 5.164 ( 12.522 -0.000 -0.000) 12.522 5.794 ( 7.392 -0.000 -0.000) 7.392 5.842 ( -0.707 0.000 0.000) 0.707 6.426 ( -8.500 0.000 0.000) 8.500 6.430 ( -0.159 0.000 0.000) 0.159 6.466 ( -8.006 0.000 0.000) 8.006 8.009 ( 0.284 -0.000 -0.000) 0.284 8.083 ( -1.228 0.000 0.000) 1.228 8.224 ( 5.479 -0.000 -0.000) 5.479 8.637 ( 6.418 -0.000 -0.000) 6.418 8.710 ( -9.418 0.000 0.000) 9.418 8.963 ( -6.316 0.000 0.000) 6.316 9.165 ( 3.404 -0.000 -0.000) 3.404 9.200 ( -0.441 0.000 0.000) 0.441 9.371 ( 3.259 -0.000 -0.000) 3.259 9.391 ( 3.930 -0.000 -0.000) 3.930 9.415 ( -2.538 0.000 0.000) 2.538 9.810 ( -3.135 0.000 0.000) 3.135 9.918 ( 0.032 -0.000 -0.000) 0.032 9.948 ( 2.378 -0.000 -0.000) 2.378 9.958 ( 1.587 -0.000 -0.000) 1.587 10.037 ( -5.460 0.000 0.000) 5.460 10.039 ( -0.750 0.000 0.000) 0.750 10.288 ( -4.194 0.000 0.000) 4.194 ======================= Grid point 32 (30/60) ======================= q-point: (-0.11 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.644 0.000 0.262) 0.695 1.652 ( 1.478 -0.000 -0.043) 1.479 1.701 ( -4.183 -0.000 -6.322) 7.581 1.709 ( -9.059 -0.000 -2.896) 9.510 1.766 ( 0.047 0.000 0.564) 0.566 1.882 ( -2.325 -0.000 -2.334) 3.294 1.937 ( 3.364 0.000 1.024) 3.516 1.945 ( 2.802 -0.000 -0.697) 2.887 1.984 ( 0.478 0.000 6.147) 6.166 2.168 ( 0.021 -0.000 -2.396) 2.396 2.176 ( -2.510 -0.000 -2.196) 3.335 2.205 ( 4.311 0.000 2.082) 4.788 2.297 ( 1.758 0.000 1.640) 2.405 2.373 ( 3.667 0.000 2.573) 4.480 2.477 ( 3.715 0.000 2.700) 4.593 2.484 ( -2.681 -0.000 -2.849) 3.912 2.603 ( -5.174 0.000 2.306) 5.665 2.666 ( -0.112 -0.000 -0.049) 0.123 2.709 ( -1.100 -0.000 -0.902) 1.423 2.831 ( 4.016 -0.000 -2.127) 4.545 2.980 ( -1.561 0.000 1.561) 2.208 3.030 ( 0.072 -0.000 -0.471) 0.477 3.211 ( -13.918 -0.000 -0.812) 13.941 3.348 ( -8.712 -0.000 -1.110) 8.782 3.375 ( -2.716 -0.000 -1.078) 2.922 3.428 ( 4.096 0.000 0.603) 4.140 3.492 ( 12.923 -0.000 0.177) 12.924 3.581 ( 13.523 0.000 0.912) 13.554 4.546 ( -4.272 -0.000 -2.331) 4.867 4.595 ( 4.898 0.000 1.661) 5.172 5.631 ( -8.907 0.000 0.185) 8.909 5.780 ( 4.000 -0.000 0.015) 4.000 6.127 ( -9.082 0.000 0.854) 9.122 6.130 ( 1.704 0.000 0.213) 1.717 6.204 ( 6.447 -0.000 -1.223) 6.562 6.323 ( 7.392 -0.000 -0.952) 7.453 8.137 ( -6.033 0.000 -0.305) 6.041 8.145 ( -5.058 0.000 0.417) 5.075 8.256 ( 4.138 -0.000 0.062) 4.138 8.288 ( 8.885 -0.000 0.330) 8.892 8.946 ( -7.133 0.000 -0.067) 7.134 9.029 ( -8.356 0.000 -0.208) 8.358 9.073 ( 5.216 -0.000 0.107) 5.217 9.218 ( 8.644 -0.000 -0.360) 8.652 9.392 ( -5.231 -0.000 -0.324) 5.241 9.459 ( 0.854 0.000 0.240) 0.887 9.596 ( -5.894 0.000 0.347) 5.904 9.758 ( 7.751 -0.000 -0.853) 7.798 9.803 ( 4.191 0.000 2.826) 5.055 9.852 ( 0.870 -0.000 -3.351) 3.462 10.012 ( -0.987 0.000 0.630) 1.171 10.043 ( 0.259 -0.000 -0.776) 0.818 10.109 ( -3.110 -0.000 -2.529) 4.009 10.124 ( 3.201 0.000 1.356) 3.476 ======================= Grid point 33 (31/60) ======================= q-point: (-0.32 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -10.292 -2.472 -12.747) 16.569 1.309 ( -9.450 -3.020 -12.485) 15.947 1.588 ( -3.360 8.164 1.574) 8.967 1.693 ( -5.094 10.331 -3.023) 11.908 1.837 ( 1.292 -3.239 2.855) 4.507 1.877 ( -1.417 1.517 9.763) 9.981 1.922 ( 1.788 -4.233 3.970) 6.073 1.952 ( 0.015 -0.512 -0.257) 0.573 1.971 ( 0.012 0.191 -1.050) 1.067 2.111 ( -3.168 0.658 -4.120) 5.239 2.144 ( -16.348 -6.379 -7.744) 19.182 2.201 ( 4.358 3.088 0.999) 5.434 2.279 ( -1.151 -4.480 -1.945) 5.018 2.306 ( 3.056 2.668 -0.780) 4.131 2.404 ( -1.567 0.383 0.303) 1.642 2.545 ( -4.996 -4.166 3.692) 7.480 2.585 ( -3.011 7.122 2.351) 8.082 2.606 ( -5.160 -0.401 2.046) 5.565 2.624 ( -2.030 -3.312 3.541) 5.256 2.885 ( 3.139 0.234 0.594) 3.203 3.016 ( 11.040 5.232 1.094) 12.266 3.039 ( 0.891 1.584 -0.753) 1.967 3.245 ( 12.142 -4.774 0.715) 13.067 3.273 ( 0.087 -4.923 -1.445) 5.132 3.490 ( 6.621 1.364 -2.090) 7.075 3.569 ( 2.838 2.747 1.611) 4.266 3.893 ( 7.783 0.291 0.936) 7.844 4.000 ( 5.895 1.906 0.460) 6.212 4.466 ( -1.061 -6.810 -3.917) 7.927 4.745 ( 4.323 2.176 1.054) 4.953 5.203 ( -12.083 -1.734 -0.534) 12.218 5.551 ( -7.927 10.620 1.433) 13.330 5.944 ( -3.890 -10.106 2.146) 11.040 6.394 ( 6.615 -1.190 0.966) 6.790 6.459 ( 2.057 4.752 -1.839) 5.495 6.513 ( 5.325 1.018 -1.553) 5.639 8.011 ( 3.627 -0.302 -0.470) 3.670 8.174 ( -3.571 2.484 0.426) 4.371 8.200 ( -1.297 -9.357 -0.020) 9.446 8.644 ( -5.496 -1.245 0.093) 5.636 8.684 ( 5.986 1.132 0.611) 6.123 8.876 ( 3.670 6.725 0.340) 7.669 9.185 ( -3.369 -0.170 -0.502) 3.410 9.212 ( 0.594 -0.755 0.033) 0.961 9.253 ( -5.216 2.841 0.191) 5.943 9.399 ( 0.370 1.800 -0.023) 1.838 9.527 ( -1.641 -8.602 0.878) 8.801 9.868 ( -0.633 2.969 0.537) 3.083 9.895 ( -1.864 -0.690 1.625) 2.567 9.936 ( -1.342 2.173 -1.567) 2.997 9.984 ( -0.263 1.756 -1.264) 2.180 10.005 ( 0.560 1.211 -1.786) 2.230 10.081 ( 2.679 -4.705 -0.067) 5.415 10.271 ( 4.077 1.149 0.254) 4.243 ======================= Grid point 35 (32/60) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 11.206 2.435 -0.000) 11.468 1.645 ( 1.178 -0.972 -0.000) 1.528 1.697 ( -2.335 -3.225 -0.000) 3.982 1.711 ( 4.985 0.636 -0.000) 5.026 1.790 ( 11.597 -0.412 -0.000) 11.604 1.843 ( -0.008 -1.612 -0.000) 1.612 1.890 ( 6.726 4.484 -0.000) 8.084 1.925 ( -0.526 0.222 0.000) 0.571 2.014 ( -7.191 4.653 0.000) 8.566 2.121 ( -8.544 -3.563 0.000) 9.257 2.157 ( -2.855 9.317 0.000) 9.744 2.200 ( 3.810 -2.464 -0.000) 4.537 2.240 ( -2.956 -4.318 -0.000) 5.233 2.355 ( -1.709 1.288 0.000) 2.140 2.464 ( 1.337 4.499 0.000) 4.694 2.642 ( -5.968 -9.831 -0.000) 11.501 2.702 ( -1.006 0.341 0.000) 1.062 2.714 ( 2.214 2.234 -0.000) 3.145 2.779 ( -0.243 -6.554 -0.000) 6.558 2.880 ( -6.304 -1.850 0.000) 6.569 2.894 ( 1.493 2.093 0.000) 2.571 3.026 ( 3.802 -3.537 -0.000) 5.193 3.172 ( 14.173 0.833 -0.000) 14.198 3.202 ( 9.630 5.669 -0.000) 11.174 3.394 ( 3.097 -0.957 -0.000) 3.241 3.423 ( -5.114 2.389 0.000) 5.644 3.504 ( -10.404 -1.223 0.000) 10.476 3.616 ( -11.769 0.379 0.000) 11.775 4.465 ( 4.579 -1.280 -0.000) 4.755 4.644 ( -3.116 0.820 0.000) 3.222 5.643 ( 8.604 -0.480 -0.000) 8.617 5.756 ( -1.856 2.289 0.000) 2.947 6.105 ( 0.433 0.644 0.000) 0.776 6.137 ( -5.136 1.573 0.000) 5.372 6.241 ( 4.923 -5.463 -0.000) 7.354 6.309 ( -4.975 -1.721 0.000) 5.264 7.986 ( 3.594 6.415 0.000) 7.353 8.096 ( -6.470 8.927 0.000) 11.025 8.341 ( 5.082 -10.941 -0.000) 12.063 8.460 ( -6.337 -8.944 -0.000) 10.962 8.918 ( 6.031 2.759 -0.000) 6.632 8.958 ( 7.003 5.369 -0.000) 8.824 9.097 ( -2.920 -1.224 0.000) 3.166 9.180 ( -6.158 1.828 0.000) 6.423 9.404 ( 4.848 -1.860 -0.000) 5.193 9.456 ( 1.374 0.708 -0.000) 1.545 9.652 ( 4.367 -3.819 -0.000) 5.802 9.689 ( -1.686 1.056 0.000) 1.989 9.756 ( -4.683 -1.883 0.000) 5.047 9.894 ( -2.843 1.741 0.000) 3.333 10.006 ( 1.895 1.700 -0.000) 2.546 10.025 ( 0.170 -0.974 -0.000) 0.989 10.051 ( 1.945 -1.020 -0.000) 2.196 10.169 ( -1.157 1.045 0.000) 1.559 ======================= Grid point 36 (33/60) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -3.835 6.590 0.000) 7.624 1.586 ( -6.309 2.807 0.000) 6.905 1.589 ( -6.686 -2.071 0.000) 6.999 1.677 ( -4.515 2.876 0.000) 5.353 1.756 ( -9.711 8.173 0.000) 12.692 1.897 ( 4.711 -7.103 -0.000) 8.523 1.900 ( 0.138 -1.375 -0.000) 1.382 1.946 ( 0.955 1.281 0.000) 1.598 1.958 ( 7.155 4.353 -0.000) 8.375 1.994 ( -2.324 -0.926 0.000) 2.502 2.153 ( 3.686 -0.418 -0.000) 3.710 2.321 ( -1.292 -0.944 0.000) 1.600 2.348 ( 1.716 -1.672 -0.000) 2.396 2.394 ( 1.895 -0.522 -0.000) 1.965 2.432 ( -0.685 5.195 0.000) 5.240 2.657 ( -4.613 -2.617 0.000) 5.303 2.658 ( -3.795 -7.990 -0.000) 8.846 2.703 ( -10.906 1.996 0.000) 11.088 2.728 ( 6.170 -0.186 -0.000) 6.172 2.803 ( 0.298 -1.098 -0.000) 1.138 2.869 ( -11.105 -2.669 0.000) 11.421 3.035 ( -3.212 6.412 0.000) 7.171 3.065 ( 10.036 -2.651 -0.000) 10.380 3.264 ( 6.328 2.040 -0.000) 6.648 3.434 ( 2.586 -3.771 -0.000) 4.572 3.435 ( 2.177 3.339 0.000) 3.986 3.729 ( 9.112 -2.089 -0.000) 9.349 3.779 ( 9.917 2.341 -0.000) 10.189 4.585 ( 2.725 4.534 0.000) 5.290 4.614 ( 0.980 -3.894 -0.000) 4.016 5.483 ( -9.627 -3.555 0.000) 10.262 5.562 ( -8.713 6.031 0.000) 10.597 6.141 ( -0.403 -5.665 -0.000) 5.680 6.292 ( 4.091 -2.992 -0.000) 5.068 6.303 ( 6.341 4.105 -0.000) 7.553 6.408 ( 2.180 3.573 0.000) 4.185 7.967 ( 4.134 -3.283 -0.000) 5.279 8.049 ( 4.166 6.825 0.000) 7.996 8.458 ( -2.683 -11.893 -0.000) 12.192 8.668 ( 3.419 -1.944 -0.000) 3.933 8.693 ( -6.208 7.679 0.000) 9.874 8.752 ( -5.217 2.249 0.000) 5.681 9.196 ( 2.525 -1.271 -0.000) 2.827 9.231 ( 1.213 2.113 0.000) 2.436 9.340 ( -5.306 0.378 0.000) 5.320 9.362 ( -2.259 0.770 0.000) 2.387 9.642 ( 0.022 -3.807 -0.000) 3.807 9.805 ( 0.270 3.713 0.000) 3.723 9.882 ( 3.128 -0.658 -0.000) 3.197 9.909 ( 2.596 0.667 -0.000) 2.680 9.962 ( -1.520 2.703 0.000) 3.101 10.034 ( -1.143 0.197 0.000) 1.160 10.125 ( 1.352 -3.027 -0.000) 3.315 10.151 ( 3.509 2.339 -0.000) 4.217 ======================= Grid point 37 (34/60) ======================= q-point: (-0.53 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 -8.164 -12.148) 14.636 1.200 ( 0.000 18.080 1.896) 18.179 1.214 ( 0.000 13.785 8.280) 16.080 1.282 ( -0.000 -11.087 -16.462) 19.848 1.806 ( -0.000 -0.340 10.280) 10.285 1.884 ( -0.000 -15.988 -12.030) 20.008 1.918 ( 0.000 10.620 4.247) 11.437 1.949 ( -0.000 -2.877 6.205) 6.839 1.977 ( -0.000 -2.094 -1.643) 2.661 2.005 ( -0.000 -0.593 3.337) 3.389 2.124 ( 0.000 10.491 -2.778) 10.852 2.147 ( -0.000 -5.966 2.550) 6.488 2.292 ( 0.000 6.415 -4.193) 7.664 2.309 ( 0.000 0.491 -2.507) 2.555 2.397 ( -0.000 -1.321 -1.257) 1.824 2.413 ( 0.000 0.144 0.060) 0.156 2.498 ( -0.000 -2.588 6.416) 6.918 2.534 ( -0.000 0.336 3.628) 3.643 2.665 ( -0.000 -7.876 -0.942) 7.932 2.734 ( 0.000 2.820 0.808) 2.933 3.230 ( 0.000 6.389 3.099) 7.101 3.240 ( -0.000 -2.537 -3.818) 4.584 3.435 ( -0.000 -8.060 -2.776) 8.524 3.480 ( 0.000 6.484 3.620) 7.426 3.613 ( -0.000 -1.346 -0.203) 1.362 3.631 ( 0.000 1.871 -0.107) 1.874 4.075 ( 0.000 1.147 1.137) 1.615 4.090 ( -0.000 -0.869 -0.761) 1.155 4.789 ( -0.000 -16.351 -4.233) 16.890 4.831 ( -0.000 -2.715 0.452) 2.752 4.891 ( 0.000 2.224 -0.588) 2.300 4.990 ( 0.000 16.832 4.501) 17.424 6.081 ( -0.000 -11.862 3.462) 12.357 6.350 ( 0.000 8.970 -2.466) 9.303 6.555 ( -0.000 -0.473 1.738) 1.801 6.614 ( 0.000 0.924 -1.794) 2.018 8.065 ( -0.000 -1.118 0.460) 1.209 8.097 ( 0.000 1.567 -0.249) 1.586 8.406 ( -0.000 -15.288 -1.596) 15.371 8.650 ( 0.000 3.986 0.670) 4.042 8.659 ( 0.000 4.598 0.987) 4.703 8.765 ( 0.000 6.059 0.639) 6.092 9.123 ( -0.000 -0.962 -0.097) 0.967 9.140 ( 0.000 0.961 0.083) 0.965 9.278 ( -0.000 -4.072 -0.430) 4.094 9.329 ( 0.000 2.826 0.968) 2.988 9.699 ( -0.000 -9.094 1.003) 9.149 9.831 ( -0.000 -1.178 0.589) 1.317 9.840 ( 0.000 4.806 -0.304) 4.816 9.876 ( -0.000 -4.233 2.583) 4.959 9.882 ( 0.000 2.327 -0.349) 2.353 10.022 ( 0.000 3.951 -2.577) 4.717 10.225 ( -0.000 -5.102 0.348) 5.114 10.312 ( 0.000 3.587 -0.128) 3.589 ======================= Grid point 38 (35/60) ======================= q-point: (-0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 7.904 -4.352 -4.235) 9.968 1.512 ( 13.276 -4.370 3.570) 14.426 1.568 ( 4.856 1.111 2.035) 5.381 1.618 ( 8.743 5.027 -1.158) 10.152 1.769 ( 0.713 -1.687 -6.556) 6.807 1.880 ( -5.689 -4.905 -0.971) 7.574 1.910 ( -2.533 -0.588 0.561) 2.661 1.947 ( -1.477 0.688 -0.939) 1.880 2.016 ( -4.120 4.655 1.285) 6.348 2.081 ( -1.976 4.506 -0.546) 4.951 2.143 ( 0.849 -0.881 2.148) 2.472 2.190 ( 1.364 5.555 5.414) 7.875 2.343 ( 0.991 -6.827 -2.753) 7.428 2.407 ( -2.864 0.169 -0.038) 2.870 2.460 ( 5.510 -4.273 -3.172) 7.660 2.654 ( 0.019 3.186 2.173) 3.857 2.705 ( 5.565 -1.242 -2.009) 6.046 2.711 ( 4.031 -1.028 -2.087) 4.654 2.782 ( -2.131 -0.807 3.169) 3.903 2.807 ( 1.047 3.276 2.203) 4.084 2.897 ( 4.269 -2.108 2.290) 5.284 2.948 ( 5.353 5.429 -1.600) 7.791 3.153 ( -8.001 -2.134 -1.908) 8.498 3.166 ( -6.768 -2.577 -0.257) 7.247 3.392 ( -0.523 -2.961 -1.138) 3.215 3.485 ( -4.077 2.730 0.996) 5.007 3.739 ( -9.860 -1.496 0.297) 9.977 3.788 ( -9.299 3.606 0.234) 9.977 4.517 ( -0.206 -5.537 -2.591) 6.117 4.653 ( -2.747 3.084 1.708) 4.469 5.476 ( 10.258 -3.497 -0.177) 10.839 5.573 ( 8.012 6.411 0.277) 10.265 6.192 ( -1.173 -6.082 1.258) 6.321 6.246 ( -5.119 3.591 -1.547) 6.442 6.321 ( -4.300 -3.840 0.827) 5.824 6.363 ( -2.011 3.058 -1.137) 3.833 7.958 ( -3.424 -2.990 -0.262) 4.553 8.063 ( -4.821 7.019 0.357) 8.523 8.470 ( 3.066 -12.107 0.283) 12.492 8.662 ( -3.569 4.688 -0.277) 5.899 8.698 ( 6.307 1.222 0.233) 6.429 8.746 ( 4.689 2.609 -0.168) 5.368 9.195 ( -2.622 -1.511 0.022) 3.026 9.221 ( -0.904 1.459 -0.253) 1.735 9.345 ( 4.005 -0.068 0.058) 4.006 9.351 ( 3.354 0.612 -0.194) 3.415 9.701 ( 0.362 -5.736 1.084) 5.849 9.736 ( -1.764 2.944 -2.796) 4.427 9.883 ( -2.479 -0.723 -0.647) 2.662 9.915 ( -2.489 1.448 0.662) 2.955 9.958 ( 1.350 0.727 -1.058) 1.863 9.997 ( 1.613 0.091 1.705) 2.349 10.102 ( -2.224 -3.611 -0.537) 4.275 10.170 ( -2.827 2.270 0.482) 3.657 ======================= Grid point 39 (36/60) ======================= q-point: ( 0.26 -0.59 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -5.626 -0.172 -2.947) 6.353 1.610 ( -2.709 -1.130 3.343) 4.448 1.750 ( -0.576 2.165 -2.194) 3.136 1.780 ( 1.843 2.971 -1.708) 3.891 1.809 ( -10.319 3.765 1.826) 11.135 1.846 ( 1.820 -1.345 -0.004) 2.263 1.850 ( -6.706 -2.802 -1.066) 7.345 1.896 ( 2.025 -1.013 0.734) 2.380 1.960 ( 2.115 -0.446 -1.605) 2.692 2.030 ( 3.233 -4.633 0.440) 5.667 2.095 ( 5.962 -3.221 -1.287) 6.898 2.177 ( 1.453 -1.090 5.672) 5.956 2.329 ( 2.654 -0.773 -1.952) 3.384 2.359 ( -1.150 3.546 1.640) 4.072 2.519 ( -1.701 3.052 -5.588) 6.590 2.651 ( -1.054 -0.841 2.010) 2.421 2.687 ( 0.747 1.713 -0.301) 1.893 2.751 ( 1.514 0.632 3.856) 4.190 2.783 ( 1.404 0.284 -1.610) 2.155 2.831 ( 0.209 -0.134 2.697) 2.709 3.023 ( 3.883 -0.890 -5.482) 6.776 3.067 ( -3.425 4.180 2.769) 6.072 3.151 ( -12.006 -0.327 -0.769) 12.035 3.169 ( -11.255 -1.007 -0.352) 11.306 3.367 ( 4.274 -0.933 0.111) 4.376 3.387 ( 5.361 -2.048 0.038) 5.739 3.542 ( 6.415 2.639 0.333) 6.945 3.585 ( 8.971 -2.331 0.104) 9.270 4.525 ( -0.992 1.776 -2.195) 2.993 4.604 ( 1.861 -1.280 1.777) 2.874 5.661 ( -6.731 1.596 -0.016) 6.918 5.705 ( -3.315 -2.796 0.098) 4.338 6.109 ( 3.484 1.349 0.531) 3.774 6.120 ( 5.227 -1.602 -0.871) 5.536 6.322 ( -2.281 3.977 0.964) 4.685 6.338 ( 1.354 -0.455 -1.038) 1.765 7.917 ( 0.085 -0.783 0.007) 0.788 7.960 ( 4.165 -5.235 0.009) 6.690 8.529 ( -2.790 8.727 0.286) 9.167 8.586 ( 3.379 2.995 -0.227) 4.521 8.853 ( -5.222 -3.788 -0.144) 6.453 8.856 ( -5.727 -3.965 0.087) 6.966 9.121 ( 3.173 1.141 -0.227) 3.379 9.149 ( 4.314 -1.416 0.110) 4.542 9.433 ( -3.918 0.910 -0.120) 4.024 9.446 ( -3.170 -0.386 0.070) 3.194 9.713 ( 0.789 -0.788 -2.828) 3.040 9.720 ( -1.645 4.093 1.138) 4.556 9.795 ( 3.969 0.689 -0.635) 4.078 9.836 ( 3.849 -1.999 1.270) 4.519 9.988 ( -1.091 -0.743 -1.126) 1.735 10.024 ( -0.865 0.281 1.590) 1.832 10.084 ( -0.268 1.245 -0.910) 1.565 10.130 ( 1.323 -1.359 0.955) 2.123 ======================= Grid point 40 (37/60) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -12.058 15.787 0.000) 19.865 0.950 ( -11.654 18.198 0.000) 21.610 1.457 ( -12.780 23.059 0.000) 26.363 1.499 ( 0.974 -6.073 -0.000) 6.151 1.588 ( -1.644 -2.449 -0.000) 2.950 1.749 ( 5.686 -5.005 -0.000) 7.575 1.867 ( -4.977 -10.345 -0.000) 11.480 1.960 ( 0.523 0.019 -0.000) 0.523 1.979 ( 0.257 -0.870 -0.000) 0.908 2.125 ( 1.950 0.090 -0.000) 1.952 2.187 ( 4.490 0.163 -0.000) 4.493 2.233 ( 0.300 2.771 0.000) 2.787 2.251 ( -0.748 1.344 0.000) 1.539 2.396 ( -1.268 -2.496 -0.000) 2.800 2.422 ( -1.900 3.370 0.000) 3.868 2.493 ( -5.667 -3.480 0.000) 6.650 2.526 ( 0.460 -3.819 -0.000) 3.846 2.577 ( 0.040 -8.982 -0.000) 8.983 2.725 ( -6.369 4.296 0.000) 7.682 2.797 ( -0.173 -3.791 -0.000) 3.795 3.043 ( 4.722 -1.676 -0.000) 5.011 3.239 ( 9.391 -3.082 -0.000) 9.884 3.309 ( -0.531 7.132 0.000) 7.152 3.525 ( 6.473 0.872 -0.000) 6.531 3.550 ( 6.805 -0.694 -0.000) 6.840 3.613 ( 0.604 -4.064 -0.000) 4.108 4.037 ( 2.544 -2.313 -0.000) 3.439 4.075 ( 4.558 -0.340 -0.000) 4.571 4.546 ( 3.886 13.099 0.000) 13.663 4.815 ( 3.828 -3.514 -0.000) 5.197 4.999 ( -10.959 4.884 0.000) 11.998 5.238 ( -7.224 -12.971 -0.000) 14.847 6.201 ( 0.114 9.988 0.000) 9.989 6.252 ( -0.497 -9.497 -0.000) 9.510 6.522 ( 2.981 -1.599 -0.000) 3.383 6.587 ( 4.012 0.802 -0.000) 4.092 8.075 ( 1.350 0.182 -0.000) 1.362 8.102 ( -1.697 -0.489 0.000) 1.766 8.358 ( -1.244 13.287 0.000) 13.345 8.653 ( -0.889 5.603 0.000) 5.673 8.688 ( 3.489 -13.818 -0.000) 14.252 8.787 ( 0.768 -7.709 -0.000) 7.747 9.131 ( -1.304 0.780 0.000) 1.519 9.155 ( -1.353 -0.669 0.000) 1.510 9.270 ( -0.673 3.535 0.000) 3.598 9.360 ( 0.339 -3.981 -0.000) 3.995 9.728 ( 0.781 7.325 0.000) 7.366 9.819 ( 1.753 -5.720 -0.000) 5.983 9.857 ( -0.767 1.176 0.000) 1.404 9.892 ( -1.935 -3.465 -0.000) 3.969 9.912 ( 0.264 -2.431 -0.000) 2.446 9.975 ( -0.136 3.396 0.000) 3.399 10.226 ( 1.845 3.967 0.000) 4.375 10.296 ( 1.528 -3.775 -0.000) 4.073 ======================= Grid point 45 (38/60) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 16.467 -0.000 -0.000) 16.467 1.373 ( 19.501 -0.000 -0.000) 19.501 1.684 ( -2.335 0.000 0.000) 2.335 1.708 ( 2.847 -0.000 -0.000) 2.847 1.720 ( -4.729 0.000 0.000) 4.729 1.832 ( -1.763 0.000 0.000) 1.763 1.876 ( 3.161 -0.000 -0.000) 3.161 1.940 ( -0.382 0.000 0.000) 0.382 1.989 ( 2.175 -0.000 -0.000) 2.175 1.996 ( 11.318 -0.000 -0.000) 11.318 2.234 ( -5.836 0.000 0.000) 5.836 2.337 ( 1.535 -0.000 -0.000) 1.535 2.362 ( -3.140 0.000 0.000) 3.140 2.406 ( -6.503 0.000 0.000) 6.503 2.493 ( 7.061 -0.000 -0.000) 7.061 2.572 ( 12.093 -0.000 -0.000) 12.093 2.618 ( -1.680 0.000 0.000) 1.680 2.787 ( -3.310 0.000 0.000) 3.310 2.801 ( 5.008 -0.000 -0.000) 5.008 2.820 ( 1.751 -0.000 -0.000) 1.751 2.864 ( -9.156 0.000 0.000) 9.156 2.951 ( -5.359 0.000 0.000) 5.359 3.037 ( 0.355 -0.000 -0.000) 0.355 3.258 ( -5.024 0.000 0.000) 5.024 3.278 ( 2.149 -0.000 -0.000) 2.149 3.538 ( -4.474 0.000 0.000) 4.474 3.739 ( -10.535 0.000 0.000) 10.535 3.871 ( -10.850 0.000 0.000) 10.850 4.331 ( 5.552 -0.000 -0.000) 5.552 4.724 ( -3.189 0.000 0.000) 3.189 5.418 ( 11.673 -0.000 -0.000) 11.673 5.828 ( -0.805 0.000 0.000) 0.805 5.966 ( 8.998 -0.000 -0.000) 8.998 6.244 ( -8.203 0.000 0.000) 8.203 6.293 ( -8.037 0.000 0.000) 8.037 6.396 ( -3.376 0.000 0.000) 3.376 8.035 ( 2.589 -0.000 -0.000) 2.589 8.088 ( 1.942 -0.000 -0.000) 1.942 8.309 ( 1.199 -0.000 -0.000) 1.199 8.501 ( -10.221 0.000 0.000) 10.221 8.787 ( 7.703 -0.000 -0.000) 7.703 8.895 ( 1.208 -0.000 -0.000) 1.208 9.165 ( -3.001 0.000 0.000) 3.001 9.257 ( 5.413 -0.000 -0.000) 5.413 9.335 ( -5.097 0.000 0.000) 5.097 9.441 ( 2.921 -0.000 -0.000) 2.921 9.484 ( 5.188 -0.000 -0.000) 5.188 9.738 ( -2.859 0.000 0.000) 2.859 9.894 ( -7.816 0.000 0.000) 7.816 9.957 ( 2.974 -0.000 -0.000) 2.974 9.965 ( -1.333 0.000 0.000) 1.333 10.000 ( 2.057 -0.000 -0.000) 2.057 10.024 ( -0.615 0.000 0.000) 0.615 10.209 ( -2.621 0.000 0.000) 2.621 ======================= Grid point 46 (39/60) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -14.766 -0.000 -5.504) 15.758 1.527 ( -10.783 -0.000 -10.586) 15.110 1.678 ( 2.600 0.000 0.658) 2.682 1.699 ( 2.001 -0.000 -0.165) 2.008 1.823 ( 2.240 -0.000 -0.151) 2.245 1.891 ( 1.175 0.000 0.613) 1.325 1.930 ( -1.770 0.000 3.035) 3.514 1.961 ( -0.192 -0.000 -0.933) 0.952 2.051 ( -6.272 0.000 0.210) 6.276 2.107 ( 1.153 -0.000 -4.949) 5.082 2.118 ( 3.834 0.000 1.294) 4.047 2.279 ( 1.658 0.000 0.793) 1.838 2.355 ( -2.918 -0.000 -0.229) 2.926 2.366 ( -7.868 -0.000 -0.594) 7.890 2.465 ( 1.783 0.000 3.935) 4.320 2.498 ( -0.587 -0.000 -1.784) 1.878 2.561 ( 4.108 0.000 6.797) 7.942 2.650 ( -3.855 0.000 0.919) 3.963 2.782 ( -8.103 -0.000 -2.342) 8.435 2.857 ( 12.735 -0.000 0.422) 12.742 2.951 ( 0.000 0.000 1.417) 1.417 2.972 ( -3.972 -0.000 -1.197) 4.148 2.997 ( -1.652 0.000 0.403) 1.700 3.317 ( -3.104 -0.000 -1.257) 3.349 3.349 ( 6.490 -0.000 -2.469) 6.943 3.514 ( 4.054 0.000 0.823) 4.136 3.721 ( 9.326 -0.000 0.430) 9.336 3.842 ( 11.034 0.000 0.809) 11.063 4.462 ( -3.682 -0.000 -3.355) 4.981 4.684 ( 3.744 0.000 1.167) 3.922 5.427 ( -10.604 0.000 -0.266) 10.607 5.802 ( -1.228 0.000 0.764) 1.446 5.934 ( -9.197 0.000 0.862) 9.238 6.232 ( 7.005 -0.000 0.213) 7.008 6.365 ( 8.278 -0.000 -1.847) 8.482 6.446 ( 4.263 -0.000 -1.273) 4.449 8.051 ( -2.232 -0.000 -0.403) 2.268 8.070 ( -1.766 0.000 0.479) 1.830 8.292 ( -1.456 0.000 0.448) 1.523 8.488 ( 10.007 -0.000 0.390) 10.014 8.787 ( -7.830 0.000 -0.000) 7.830 8.910 ( -2.073 -0.000 -0.366) 2.105 9.159 ( 2.993 -0.000 0.142) 2.997 9.278 ( -5.235 -0.000 -0.563) 5.265 9.361 ( 4.787 -0.000 -0.681) 4.835 9.429 ( -3.027 0.000 0.454) 3.061 9.485 ( -5.046 0.000 -0.019) 5.046 9.885 ( 2.747 0.000 1.814) 3.292 9.898 ( 3.178 -0.000 -3.081) 4.427 9.913 ( 6.003 -0.000 -0.424) 6.018 9.982 ( -1.521 0.000 0.460) 1.589 10.027 ( -3.379 -0.000 -2.717) 4.336 10.046 ( -1.048 -0.000 -0.908) 1.387 10.193 ( 3.752 0.000 0.487) 3.784 ======================= Grid point 47 (40/60) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 -0.000 -20.610) 20.610 0.540 ( 0.000 -0.000 -22.853) 22.853 0.751 ( 0.000 -0.000 -31.971) 31.971 1.708 ( -0.000 0.000 2.294) 2.294 1.826 ( -0.000 0.000 11.129) 11.129 1.911 ( 0.000 -0.000 -0.180) 0.180 1.941 ( 0.000 -0.000 -2.525) 2.525 1.942 ( -0.000 0.000 0.167) 0.167 2.003 ( 0.000 -0.000 -3.772) 3.772 2.035 ( -0.000 0.000 8.330) 8.330 2.046 ( -0.000 0.000 4.170) 4.170 2.135 ( -0.000 0.000 4.878) 4.878 2.358 ( 0.000 -0.000 -1.362) 1.362 2.383 ( 0.000 -0.000 -9.937) 9.937 2.437 ( -0.000 0.000 1.247) 1.247 2.496 ( -0.000 0.000 2.531) 2.531 2.512 ( -0.000 0.000 2.144) 2.144 2.565 ( 0.000 -0.000 -2.279) 2.279 2.813 ( -0.000 0.000 8.872) 8.872 2.862 ( 0.000 -0.000 -0.719) 0.719 3.170 ( -0.000 0.000 3.094) 3.094 3.202 ( 0.000 -0.000 -0.400) 0.400 3.417 ( 0.000 -0.000 -0.686) 0.686 3.593 ( -0.000 0.000 2.233) 2.233 3.629 ( 0.000 -0.000 -0.435) 0.435 3.696 ( -0.000 0.000 0.211) 0.211 4.079 ( -0.000 0.000 0.712) 0.712 4.182 ( 0.000 -0.000 -6.018) 6.018 4.245 ( -0.000 0.000 1.399) 1.399 4.771 ( -0.000 0.000 0.383) 0.383 4.913 ( 0.000 -0.000 -0.833) 0.833 5.583 ( -0.000 0.000 2.607) 2.607 5.799 ( -0.000 0.000 5.147) 5.147 6.445 ( 0.000 -0.000 -3.010) 3.010 6.597 ( -0.000 0.000 2.149) 2.149 6.662 ( 0.000 -0.000 -0.258) 0.258 8.031 ( 0.000 -0.000 -1.265) 1.265 8.065 ( -0.000 0.000 0.751) 0.751 8.147 ( 0.000 -0.000 -0.353) 0.353 8.488 ( -0.000 0.000 0.470) 0.470 8.926 ( -0.000 0.000 0.669) 0.669 9.099 ( 0.000 -0.000 -0.154) 0.154 9.144 ( -0.000 0.000 0.292) 0.292 9.192 ( 0.000 -0.000 -0.157) 0.157 9.206 ( -0.000 0.000 2.485) 2.485 9.287 ( -0.000 0.000 0.639) 0.639 9.428 ( -0.000 0.000 1.762) 1.762 9.838 ( -0.000 0.000 2.260) 2.260 9.849 ( 0.000 -0.000 -0.580) 0.580 9.933 ( -0.000 0.000 0.144) 0.144 9.945 ( -0.000 0.000 0.292) 0.292 10.040 ( 0.000 -0.000 -2.436) 2.436 10.122 ( -0.000 0.000 1.841) 1.841 10.386 ( -0.000 0.000 0.112) 0.112 ======================= Grid point 49 (41/60) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -1.345 3.462 0.000) 3.714 1.696 ( 3.278 -3.521 -0.000) 4.811 1.737 ( -4.499 0.059 0.000) 4.499 1.753 ( -1.187 3.417 0.000) 3.617 1.829 ( 0.660 2.668 0.000) 2.749 1.845 ( 0.056 -1.428 -0.000) 1.429 1.900 ( -6.954 0.760 0.000) 6.996 1.927 ( 2.533 0.932 -0.000) 2.699 1.957 ( 1.825 0.123 -0.000) 1.829 2.070 ( 7.379 4.274 -0.000) 8.528 2.087 ( -4.234 7.616 0.000) 8.714 2.258 ( 1.896 -4.390 -0.000) 4.782 2.286 ( 4.575 -2.428 -0.000) 5.179 2.379 ( 1.992 3.321 0.000) 3.873 2.468 ( -0.479 1.638 0.000) 1.707 2.522 ( -2.815 -9.261 -0.000) 9.679 2.666 ( -4.116 -5.004 -0.000) 6.479 2.713 ( -1.560 -2.006 -0.000) 2.541 2.763 ( -0.105 -4.300 -0.000) 4.301 2.863 ( -2.791 2.859 0.000) 3.996 2.866 ( 3.481 2.147 -0.000) 4.090 3.108 ( 3.037 -4.794 -0.000) 5.676 3.204 ( -13.338 1.637 0.000) 13.438 3.277 ( -7.129 5.771 0.000) 9.172 3.389 ( 6.172 2.688 -0.000) 6.732 3.419 ( -2.941 0.077 0.000) 2.942 3.492 ( 11.052 -0.860 -0.000) 11.085 3.584 ( 10.851 -0.855 -0.000) 10.885 4.562 ( 4.520 1.163 -0.000) 4.667 4.585 ( -2.545 -0.924 0.000) 2.707 5.636 ( -8.366 -0.809 0.000) 8.405 5.753 ( 0.950 2.604 0.000) 2.772 6.084 ( -0.477 0.674 0.000) 0.826 6.194 ( 7.319 2.159 -0.000) 7.631 6.203 ( -3.646 -4.912 -0.000) 6.117 6.361 ( 5.502 -1.918 -0.000) 5.827 7.985 ( -3.609 6.495 0.000) 7.431 8.090 ( 5.809 8.760 0.000) 10.511 8.334 ( -5.512 -10.652 -0.000) 11.994 8.454 ( 5.599 -9.384 -0.000) 10.928 8.928 ( -6.527 2.052 0.000) 6.842 8.955 ( -4.809 6.179 0.000) 7.830 9.105 ( 1.925 -1.737 -0.000) 2.593 9.191 ( 7.647 2.671 -0.000) 8.100 9.416 ( -4.103 -1.546 0.000) 4.385 9.451 ( -1.356 0.400 0.000) 1.413 9.614 ( -3.547 -2.093 0.000) 4.118 9.773 ( 4.587 -0.832 -0.000) 4.662 9.777 ( 6.698 -0.789 -0.000) 6.744 9.871 ( 0.810 2.229 0.000) 2.372 10.023 ( -0.413 -1.754 -0.000) 1.802 10.027 ( 0.168 2.330 0.000) 2.336 10.106 ( 3.206 0.245 -0.000) 3.215 10.135 ( -2.212 0.771 0.000) 2.342 ======================= Grid point 50 (42/60) ======================= q-point: (-0.38 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -3.684 -2.128 -19.166) 19.633 1.144 ( -5.307 -7.858 -16.766) 19.262 1.484 ( -3.931 11.455 1.923) 12.262 1.603 ( -5.311 13.598 2.641) 14.835 1.774 ( -15.461 -10.403 -18.609) 26.335 1.818 ( -1.555 -1.395 11.476) 11.664 1.882 ( 0.264 -1.680 11.103) 11.232 1.949 ( 0.969 -1.463 0.226) 1.770 1.964 ( -0.080 -1.492 0.198) 1.507 1.981 ( 1.160 -5.010 2.290) 5.629 2.058 ( -1.437 2.470 -4.021) 4.933 2.230 ( 0.043 -5.347 -1.682) 5.606 2.331 ( 4.517 1.485 -0.342) 4.768 2.364 ( 1.133 2.796 0.250) 3.027 2.382 ( -0.768 1.922 1.013) 2.305 2.460 ( -1.849 -0.370 4.157) 4.565 2.522 ( -2.410 3.715 2.231) 4.959 2.547 ( -1.868 -1.589 2.736) 3.674 2.612 ( 1.238 4.178 2.582) 5.065 2.825 ( -6.198 0.974 -0.050) 6.274 3.146 ( 6.001 -0.099 -0.451) 6.019 3.230 ( 6.550 1.451 0.189) 6.711 3.279 ( 2.484 -4.624 -0.060) 5.249 3.476 ( 8.767 -3.362 0.799) 9.423 3.579 ( 1.127 2.712 1.133) 3.148 3.635 ( 3.663 3.312 -0.595) 4.974 4.047 ( 6.555 2.329 1.048) 7.035 4.069 ( 1.091 0.334 0.237) 1.166 4.465 ( 1.352 -10.458 -4.268) 11.376 4.849 ( 5.349 2.118 0.301) 5.761 4.945 ( -11.946 -2.522 -0.256) 12.212 5.386 ( -7.363 13.221 2.887) 15.406 5.877 ( -2.401 -11.904 3.665) 12.684 6.477 ( 0.377 4.745 -2.312) 5.292 6.508 ( 3.924 -0.474 1.477) 4.219 6.608 ( 3.224 1.780 -1.172) 3.864 8.085 ( 1.252 -0.763 -0.375) 1.513 8.092 ( -1.512 0.125 0.318) 1.550 8.182 ( -0.853 -8.028 -0.648) 8.099 8.559 ( -2.619 -4.092 0.171) 4.862 8.803 ( 4.898 5.113 1.129) 7.170 8.938 ( 1.176 9.981 1.189) 10.120 9.128 ( -1.887 -0.462 -0.287) 1.964 9.164 ( -2.269 1.766 0.281) 2.889 9.219 ( -0.315 -2.281 -0.136) 2.307 9.383 ( -1.356 1.400 1.124) 2.250 9.501 ( -0.885 -11.666 1.302) 11.772 9.835 ( -2.329 -1.140 1.622) 3.059 9.851 ( -1.237 1.214 0.626) 1.843 9.913 ( -0.647 1.929 -0.231) 2.047 9.951 ( -2.140 2.498 0.370) 3.310 10.051 ( 2.470 1.790 -2.892) 4.204 10.121 ( 1.051 -4.558 0.692) 4.729 10.340 ( 2.331 1.681 0.150) 2.878 ======================= Grid point 53 (43/60) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -5.227 11.134 0.000) 12.300 1.452 ( -6.873 4.402 0.000) 8.162 1.508 ( -0.050 -2.499 -0.000) 2.499 1.536 ( -9.633 10.127 0.000) 13.977 1.609 ( -1.821 -0.366 0.000) 1.858 1.821 ( -7.435 -7.235 0.000) 10.374 1.960 ( 0.419 0.957 0.000) 1.045 1.967 ( 0.248 0.194 -0.000) 0.315 1.987 ( 3.563 -6.267 -0.000) 7.209 2.076 ( 0.940 5.450 0.000) 5.531 2.190 ( -0.952 0.845 0.000) 1.273 2.227 ( -3.549 10.094 0.000) 10.700 2.344 ( -3.577 1.784 0.000) 3.997 2.399 ( 2.454 -4.984 -0.000) 5.556 2.428 ( -1.393 -0.203 0.000) 1.408 2.503 ( -4.878 1.313 0.000) 5.052 2.533 ( -8.404 -8.137 0.000) 11.698 2.550 ( -5.428 -3.098 0.000) 6.250 2.701 ( -3.658 -7.088 -0.000) 7.976 2.900 ( 9.673 3.187 -0.000) 10.185 2.929 ( 0.027 -1.290 -0.000) 1.290 2.971 ( 5.456 4.509 -0.000) 7.078 3.309 ( 11.846 -2.765 -0.000) 12.165 3.402 ( 5.645 -1.453 -0.000) 5.829 3.459 ( 0.260 5.504 0.000) 5.510 3.500 ( 3.793 -2.478 -0.000) 4.531 3.894 ( 6.824 -1.721 -0.000) 7.038 3.962 ( 7.260 1.733 -0.000) 7.463 4.644 ( 1.942 -6.597 -0.000) 6.877 4.650 ( 3.682 6.381 0.000) 7.368 5.270 ( -10.787 -5.133 0.000) 11.946 5.359 ( -10.573 8.115 0.000) 13.328 6.098 ( -2.596 -9.458 -0.000) 9.808 6.363 ( 0.790 7.726 0.000) 7.766 6.408 ( 5.646 -1.485 -0.000) 5.838 6.506 ( 5.790 1.782 -0.000) 6.058 8.055 ( 3.552 -3.406 -0.000) 4.921 8.099 ( 0.293 4.161 0.000) 4.172 8.414 ( -1.193 -12.500 -0.000) 12.557 8.603 ( -1.474 7.978 0.000) 8.113 8.678 ( -1.900 -2.486 -0.000) 3.129 8.743 ( 2.698 5.366 0.000) 6.006 9.191 ( -2.935 1.170 0.000) 3.160 9.195 ( -2.996 -0.135 0.000) 2.999 9.279 ( -0.110 -3.418 -0.000) 3.420 9.351 ( -0.246 3.374 0.000) 3.383 9.655 ( 1.157 -6.600 -0.000) 6.700 9.809 ( 0.158 3.223 0.000) 3.226 9.895 ( -1.618 -1.364 0.000) 2.117 9.911 ( -1.592 1.297 0.000) 2.054 9.931 ( -1.239 3.297 0.000) 3.522 10.023 ( 0.218 1.490 0.000) 1.506 10.173 ( 2.528 -4.545 -0.000) 5.201 10.231 ( 3.786 2.773 -0.000) 4.693 ======================= Grid point 54 (44/60) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 18.797 0.000) 18.797 0.817 ( 0.000 21.068 0.000) 21.068 1.316 ( 0.000 32.384 0.000) 32.384 1.519 ( -0.000 -7.255 -0.000) 7.255 1.582 ( -0.000 -5.372 -0.000) 5.372 1.806 ( -0.000 -11.140 -0.000) 11.140 1.829 ( -0.000 -6.068 -0.000) 6.068 1.971 ( -0.000 -0.684 -0.000) 0.684 1.975 ( 0.000 0.402 0.000) 0.402 2.155 ( 0.000 0.716 0.000) 0.716 2.191 ( 0.000 4.277 0.000) 4.277 2.221 ( -0.000 -4.552 -0.000) 4.552 2.306 ( 0.000 4.363 0.000) 4.363 2.366 ( -0.000 -3.881 -0.000) 3.881 2.404 ( 0.000 1.625 0.000) 1.625 2.435 ( -0.000 -0.822 -0.000) 0.822 2.552 ( -0.000 -13.806 -0.000) 13.806 2.553 ( -0.000 -4.758 -0.000) 4.758 2.639 ( 0.000 5.008 0.000) 5.008 2.800 ( -0.000 -2.253 -0.000) 2.253 3.096 ( 0.000 0.634 0.000) 0.634 3.301 ( 0.000 6.338 0.000) 6.338 3.347 ( -0.000 -2.819 -0.000) 2.819 3.604 ( -0.000 -5.506 -0.000) 5.506 3.607 ( 0.000 0.194 0.000) 0.194 3.627 ( 0.000 0.054 0.000) 0.054 4.062 ( -0.000 -1.012 -0.000) 1.012 4.121 ( -0.000 -0.738 -0.000) 0.738 4.621 ( 0.000 16.099 0.000) 16.099 4.848 ( 0.000 2.924 0.000) 2.924 4.868 ( -0.000 -1.891 -0.000) 1.891 5.148 ( -0.000 -16.363 -0.000) 16.363 6.203 ( 0.000 10.171 0.000) 10.171 6.247 ( -0.000 -9.715 -0.000) 9.715 6.553 ( -0.000 -1.927 -0.000) 1.927 6.630 ( 0.000 0.283 0.000) 0.283 8.082 ( 0.000 0.591 0.000) 0.591 8.088 ( -0.000 -1.804 -0.000) 1.804 8.347 ( 0.000 14.629 0.000) 14.629 8.643 ( 0.000 6.189 0.000) 6.189 8.732 ( -0.000 -16.860 -0.000) 16.860 8.789 ( -0.000 -6.487 -0.000) 6.487 9.119 ( 0.000 1.112 0.000) 1.112 9.143 ( -0.000 -1.069 -0.000) 1.069 9.261 ( 0.000 3.385 0.000) 3.385 9.363 ( -0.000 -4.048 -0.000) 4.048 9.737 ( 0.000 7.098 0.000) 7.098 9.829 ( -0.000 -5.810 -0.000) 5.810 9.851 ( 0.000 1.444 0.000) 1.444 9.868 ( -0.000 -3.166 -0.000) 3.166 9.923 ( -0.000 -4.176 -0.000) 4.176 9.977 ( 0.000 4.201 0.000) 4.201 10.244 ( 0.000 3.965 0.000) 3.965 10.310 ( -0.000 -4.055 -0.000) 4.055 ======================= Grid point 60 (45/60) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -10.051 -0.000 -14.607) 17.731 1.284 ( -12.121 -0.000 -14.323) 18.763 1.692 ( -3.109 -0.000 -1.412) 3.414 1.750 ( 4.027 0.000 2.420) 4.698 1.856 ( -0.962 -0.000 -0.406) 1.044 1.875 ( -1.301 0.000 7.265) 7.381 1.876 ( -2.584 0.000 6.779) 7.255 1.947 ( -0.980 0.000 0.337) 1.036 1.975 ( -0.988 -0.000 -2.353) 2.551 2.059 ( -13.023 -0.000 -10.796) 16.916 2.121 ( -4.779 -0.000 -2.335) 5.319 2.222 ( -5.214 -0.000 -3.084) 6.058 2.252 ( 5.595 0.000 1.944) 5.923 2.334 ( 2.096 0.000 1.400) 2.520 2.437 ( -3.740 0.000 4.440) 5.805 2.475 ( -2.047 0.000 2.407) 3.159 2.554 ( -4.003 0.000 5.759) 7.014 2.633 ( -3.053 -0.000 -1.343) 3.335 2.652 ( 1.767 0.000 0.202) 1.779 2.935 ( -1.623 -0.000 -1.063) 1.940 2.982 ( 5.474 0.000 2.745) 6.123 3.104 ( 9.891 -0.000 0.355) 9.897 3.170 ( 13.448 0.000 1.254) 13.507 3.242 ( -3.261 -0.000 -0.495) 3.298 3.504 ( 7.044 -0.000 -2.808) 7.583 3.595 ( 3.713 0.000 1.206) 3.904 3.899 ( 8.297 0.000 1.125) 8.373 4.019 ( 5.559 0.000 0.741) 5.608 4.395 ( -2.766 -0.000 -4.394) 5.192 4.764 ( 4.332 0.000 0.798) 4.405 5.188 ( -12.419 0.000 -0.569) 12.432 5.750 ( -8.420 0.000 1.146) 8.497 5.753 ( -3.145 0.000 2.604) 4.083 6.383 ( 6.914 0.000 0.903) 6.973 6.504 ( 1.514 -0.000 -1.873) 2.408 6.524 ( 6.643 -0.000 -1.524) 6.815 8.036 ( 0.458 -0.000 -0.719) 0.853 8.075 ( 1.902 0.000 0.215) 1.914 8.206 ( -5.681 0.000 0.477) 5.701 8.633 ( -6.724 0.000 0.120) 6.725 8.690 ( 9.060 0.000 0.540) 9.076 8.942 ( 4.134 0.000 0.555) 4.171 9.184 ( -3.735 -0.000 -0.509) 3.769 9.197 ( 0.742 0.000 0.062) 0.745 9.355 ( -3.378 0.000 0.474) 3.411 9.378 ( -5.338 0.000 0.305) 5.346 9.416 ( 0.388 0.000 0.021) 0.388 9.885 ( -2.285 0.000 1.520) 2.744 9.931 ( -2.544 -0.000 -0.636) 2.623 9.937 ( -1.228 0.000 0.858) 1.498 9.992 ( 2.664 -0.000 -4.288) 5.048 10.026 ( -1.070 0.000 0.014) 1.070 10.027 ( 3.411 -0.000 -0.034) 3.411 10.281 ( 4.323 -0.000 0.205) 4.328 ======================= Grid point 62 (46/60) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 13.665 -0.000 -0.000) 13.665 1.646 ( -1.126 0.000 0.000) 1.126 1.656 ( -1.180 0.000 0.000) 1.180 1.707 ( 9.688 -0.000 -0.000) 9.688 1.806 ( 8.266 -0.000 -0.000) 8.266 1.819 ( 0.396 -0.000 -0.000) 0.396 1.926 ( -0.759 0.000 0.000) 0.759 1.968 ( 5.806 -0.000 -0.000) 5.806 2.024 ( -1.772 0.000 0.000) 1.772 2.066 ( -5.108 0.000 0.000) 5.108 2.184 ( 3.184 -0.000 -0.000) 3.184 2.195 ( -9.247 0.000 0.000) 9.247 2.313 ( -1.758 0.000 0.000) 1.758 2.369 ( 0.526 -0.000 -0.000) 0.526 2.475 ( -8.790 0.000 0.000) 8.790 2.574 ( -1.098 0.000 0.000) 1.098 2.643 ( -2.033 0.000 0.000) 2.033 2.713 ( -4.694 0.000 0.000) 4.694 2.744 ( 4.744 -0.000 -0.000) 4.744 2.857 ( -3.419 0.000 0.000) 3.419 2.936 ( 2.672 -0.000 -0.000) 2.672 2.975 ( 3.278 -0.000 -0.000) 3.278 3.181 ( 14.587 -0.000 -0.000) 14.587 3.302 ( 10.054 -0.000 -0.000) 10.054 3.337 ( 3.528 -0.000 -0.000) 3.528 3.452 ( -3.624 0.000 0.000) 3.624 3.500 ( -12.513 0.000 0.000) 12.513 3.614 ( -13.316 0.000 0.000) 13.316 4.453 ( 6.024 -0.000 -0.000) 6.024 4.653 ( -3.654 0.000 0.000) 3.654 5.639 ( 9.233 -0.000 -0.000) 9.233 5.779 ( -4.862 0.000 0.000) 4.862 6.139 ( -0.501 0.000 0.000) 0.501 6.156 ( -4.562 0.000 0.000) 4.562 6.158 ( 9.189 -0.000 -0.000) 9.189 6.286 ( -7.009 0.000 0.000) 7.009 8.125 ( 6.089 -0.000 -0.000) 6.089 8.160 ( 4.579 -0.000 -0.000) 4.579 8.257 ( -5.175 0.000 0.000) 5.175 8.299 ( -8.939 0.000 0.000) 8.939 8.944 ( 7.033 -0.000 -0.000) 7.033 9.020 ( 9.376 -0.000 -0.000) 9.376 9.078 ( -5.314 0.000 0.000) 5.314 9.202 ( -7.613 0.000 0.000) 7.613 9.381 ( 5.798 -0.000 -0.000) 5.798 9.466 ( -1.042 0.000 0.000) 1.042 9.611 ( 7.021 -0.000 -0.000) 7.021 9.709 ( 0.344 -0.000 -0.000) 0.344 9.728 ( -7.585 0.000 0.000) 7.585 9.911 ( -2.600 0.000 0.000) 2.600 10.015 ( -0.329 0.000 0.000) 0.329 10.028 ( 3.724 -0.000 -0.000) 3.724 10.036 ( 1.297 -0.000 -0.000) 1.297 10.178 ( -1.056 0.000 0.000) 1.056 ======================= Grid point 63 (47/60) ======================= q-point: (-0.43 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -5.729 1.435 0.000) 5.906 1.591 ( -2.905 3.263 0.000) 4.368 1.666 ( -6.181 4.817 0.000) 7.836 1.729 ( -6.096 2.058 0.000) 6.434 1.780 ( 4.354 -5.368 -0.000) 6.912 1.820 ( -4.172 -0.590 0.000) 4.214 1.933 ( -3.900 3.475 0.000) 5.224 1.963 ( 0.604 0.433 -0.000) 0.743 2.003 ( -2.810 2.362 0.000) 3.671 2.026 ( 9.000 2.958 -0.000) 9.473 2.186 ( 3.354 3.447 -0.000) 4.810 2.286 ( 0.375 -2.308 -0.000) 2.338 2.344 ( -2.077 0.865 0.000) 2.250 2.375 ( 1.547 0.024 -0.000) 1.547 2.487 ( 3.648 -0.628 -0.000) 3.702 2.492 ( -3.864 -7.860 -0.000) 8.758 2.571 ( -4.634 -4.932 0.000) 6.768 2.698 ( -1.450 -4.131 -0.000) 4.378 2.769 ( -9.041 4.356 0.000) 10.035 2.830 ( -2.461 3.516 0.000) 4.292 2.842 ( 2.811 0.434 -0.000) 2.844 3.021 ( 3.002 -1.882 -0.000) 3.543 3.088 ( -1.687 -3.701 -0.000) 4.068 3.278 ( 2.955 2.735 -0.000) 4.027 3.398 ( 2.747 -0.671 -0.000) 2.828 3.485 ( 3.463 1.848 -0.000) 3.925 3.714 ( 9.100 0.050 -0.000) 9.101 3.817 ( 10.511 1.533 -0.000) 10.622 4.541 ( -1.665 -3.503 -0.000) 3.879 4.648 ( 3.794 2.244 -0.000) 4.408 5.441 ( -10.223 -1.194 0.000) 10.293 5.690 ( -6.001 7.376 0.000) 9.509 6.021 ( -4.977 -6.998 -0.000) 8.587 6.246 ( 6.142 -1.769 -0.000) 6.392 6.364 ( 8.107 2.447 -0.000) 8.468 6.453 ( 3.366 1.230 -0.000) 3.584 7.959 ( 1.098 2.606 0.000) 2.828 8.189 ( 2.481 7.706 0.000) 8.095 8.241 ( -3.215 -11.126 -0.000) 11.581 8.566 ( 5.077 -6.280 -0.000) 8.076 8.780 ( -7.239 0.865 0.000) 7.291 8.852 ( -2.449 6.466 0.000) 6.914 9.171 ( 2.939 -1.260 -0.000) 3.198 9.268 ( -2.294 1.685 0.000) 2.846 9.369 ( -5.467 2.845 0.000) 6.163 9.370 ( 1.842 0.094 -0.000) 1.844 9.558 ( -2.240 -5.005 -0.000) 5.483 9.862 ( 1.238 3.060 0.000) 3.301 9.867 ( 3.016 -0.617 -0.000) 3.078 9.937 ( 4.057 1.572 -0.000) 4.351 10.012 ( -0.102 -2.723 -0.000) 2.725 10.019 ( -0.909 2.809 0.000) 2.953 10.084 ( -2.075 -0.983 0.000) 2.296 10.180 ( 3.959 0.834 -0.000) 4.046 ======================= Grid point 65 (48/60) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.000 -3.788 -18.797) 19.175 1.106 ( -0.000 -7.205 -18.789) 20.123 1.465 ( 0.000 12.052 8.052) 14.494 1.509 ( 0.000 14.524 0.702) 14.540 1.582 ( -0.000 -13.060 -23.693) 27.054 1.805 ( -0.000 -1.603 13.560) 13.655 1.877 ( -0.000 -3.119 10.530) 10.983 1.952 ( -0.000 -1.224 -0.836) 1.482 1.960 ( -0.000 -0.577 -0.281) 0.642 2.022 ( -0.000 -6.751 3.478) 7.594 2.045 ( 0.000 2.555 -4.308) 5.009 2.228 ( -0.000 -6.602 -1.435) 6.756 2.336 ( 0.000 3.843 2.082) 4.371 2.392 ( 0.000 1.091 1.589) 1.927 2.418 ( 0.000 3.063 -1.567) 3.440 2.431 ( 0.000 4.454 0.362) 4.469 2.499 ( 0.000 3.325 7.095) 7.836 2.522 ( -0.000 -5.324 0.965) 5.411 2.660 ( 0.000 12.994 4.470) 13.741 2.720 ( -0.000 -4.121 -1.098) 4.265 3.217 ( 0.000 -0.193 -2.100) 2.109 3.252 ( -0.000 -10.296 -0.693) 10.320 3.360 ( 0.000 5.609 1.583) 5.828 3.575 ( -0.000 -2.702 0.663) 2.782 3.578 ( 0.000 3.679 2.529) 4.465 3.678 ( 0.000 2.908 -1.115) 3.114 4.073 ( -0.000 -0.872 0.146) 0.884 4.125 ( 0.000 4.437 0.506) 4.466 4.505 ( -0.000 -13.754 -4.317) 14.415 4.783 ( -0.000 -2.194 0.437) 2.238 4.922 ( 0.000 1.150 -0.730) 1.362 5.293 ( 0.000 15.526 4.240) 16.095 5.851 ( -0.000 -12.753 4.408) 13.493 6.481 ( 0.000 4.631 -2.586) 5.304 6.550 ( -0.000 -0.129 1.686) 1.690 6.642 ( 0.000 2.055 -0.933) 2.257 8.049 ( -0.000 -0.567 0.694) 0.896 8.132 ( 0.000 1.996 -0.244) 2.011 8.164 ( -0.000 -10.032 -1.373) 10.125 8.533 ( -0.000 -5.466 0.171) 5.468 8.864 ( 0.000 4.287 0.734) 4.350 8.933 ( 0.000 14.149 2.169) 14.314 9.109 ( -0.000 -0.506 -0.176) 0.535 9.148 ( -0.000 -0.361 0.232) 0.430 9.214 ( -0.000 -2.346 -0.253) 2.360 9.366 ( 0.000 1.006 1.703) 1.978 9.491 ( -0.000 -13.092 1.661) 13.197 9.807 ( -0.000 -2.528 2.334) 3.441 9.839 ( 0.000 1.388 0.166) 1.398 9.907 ( 0.000 2.421 0.009) 2.421 9.922 ( 0.000 1.728 0.037) 1.728 10.080 ( 0.000 2.186 -2.452) 3.285 10.130 ( -0.000 -4.671 0.981) 4.773 10.364 ( 0.000 1.968 0.075) 1.969 ======================= Grid point 68 (49/60) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -9.405 13.970 0.000) 16.841 1.279 ( -7.836 16.227 0.000) 18.020 1.426 ( -1.966 -1.042 0.000) 2.225 1.529 ( 0.036 0.208 0.000) 0.211 1.637 ( 4.711 -4.288 -0.000) 6.370 1.665 ( -6.229 -10.103 -0.000) 11.869 1.919 ( -5.882 16.045 0.000) 17.090 1.965 ( 0.175 0.260 0.000) 0.314 1.974 ( 0.149 -0.103 -0.000) 0.181 2.078 ( 2.887 -4.756 -0.000) 5.563 2.206 ( -0.676 5.869 0.000) 5.908 2.249 ( -4.983 -4.575 0.000) 6.764 2.279 ( 5.213 2.774 -0.000) 5.905 2.366 ( -6.033 -11.359 -0.000) 12.862 2.386 ( -2.091 2.550 0.000) 3.298 2.435 ( 0.505 -6.332 -0.000) 6.352 2.436 ( -1.648 -1.188 0.000) 2.032 2.475 ( -2.282 2.047 0.000) 3.066 2.674 ( -0.003 -8.850 -0.000) 8.850 2.807 ( -6.272 3.423 0.000) 7.145 3.094 ( 8.013 6.025 -0.000) 10.025 3.187 ( 9.107 -2.360 -0.000) 9.408 3.449 ( -1.066 7.108 0.000) 7.187 3.467 ( 0.957 -8.068 -0.000) 8.125 3.524 ( 8.103 -2.115 -0.000) 8.375 3.589 ( 3.883 2.335 -0.000) 4.531 4.012 ( 4.381 -0.091 -0.000) 4.382 4.070 ( 3.114 -0.248 -0.000) 3.124 4.704 ( 4.197 -8.767 -0.000) 9.720 4.750 ( 6.221 8.054 0.000) 10.177 5.040 ( -10.949 -7.656 0.000) 13.361 5.131 ( -10.969 9.722 0.000) 14.657 6.053 ( -1.559 -11.597 -0.000) 11.701 6.375 ( 0.434 8.573 0.000) 8.584 6.501 ( 3.107 -0.815 -0.000) 3.213 6.604 ( 3.266 0.959 -0.000) 3.404 8.078 ( -1.540 0.193 0.000) 1.552 8.097 ( 0.659 -0.077 -0.000) 0.663 8.414 ( 0.841 -14.384 -0.000) 14.409 8.611 ( 1.348 12.935 0.000) 13.005 8.660 ( -0.252 -6.411 -0.000) 6.416 8.767 ( -0.284 6.852 0.000) 6.858 9.142 ( -1.784 -0.640 0.000) 1.895 9.145 ( -0.955 0.629 0.000) 1.144 9.283 ( 0.107 -4.055 -0.000) 4.056 9.332 ( -1.213 2.843 0.000) 3.091 9.680 ( 0.846 -9.129 -0.000) 9.168 9.815 ( 0.447 1.511 0.000) 1.576 9.855 ( -1.477 -2.459 -0.000) 2.869 9.871 ( -1.941 2.073 0.000) 2.840 9.903 ( -1.343 2.283 0.000) 2.649 10.040 ( 1.157 3.258 0.000) 3.457 10.211 ( 1.061 -5.164 -0.000) 5.272 10.293 ( 2.009 3.144 0.000) 3.731 ======================= Grid point 77 (50/60) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.365 -0.000 -0.000) 0.365 1.652 ( 1.666 -0.000 -0.000) 1.666 1.744 ( -6.484 0.000 0.000) 6.484 1.807 ( 2.542 -0.000 -0.000) 2.542 1.808 ( -2.489 0.000 0.000) 2.489 1.860 ( 3.827 -0.000 -0.000) 3.827 1.905 ( -7.894 0.000 0.000) 7.894 1.935 ( 1.898 -0.000 -0.000) 1.898 1.955 ( 3.184 -0.000 -0.000) 3.184 2.139 ( 8.101 -0.000 -0.000) 8.101 2.180 ( 3.196 -0.000 -0.000) 3.196 2.229 ( -9.356 0.000 0.000) 9.356 2.264 ( 4.831 -0.000 -0.000) 4.831 2.352 ( -1.514 0.000 0.000) 1.514 2.435 ( 6.736 -0.000 -0.000) 6.736 2.522 ( -3.358 0.000 0.000) 3.358 2.577 ( -3.803 0.000 0.000) 3.803 2.667 ( -0.313 0.000 0.000) 0.313 2.740 ( -4.508 0.000 0.000) 4.508 2.856 ( 3.399 -0.000 -0.000) 3.399 2.947 ( -0.552 0.000 0.000) 0.552 3.036 ( 0.997 -0.000 -0.000) 0.997 3.220 ( -13.692 0.000 0.000) 13.692 3.362 ( -8.255 0.000 0.000) 8.255 3.388 ( -2.343 0.000 0.000) 2.343 3.421 ( 4.112 -0.000 -0.000) 4.112 3.490 ( 12.976 -0.000 -0.000) 12.976 3.569 ( 13.654 -0.000 -0.000) 13.654 4.573 ( 5.314 -0.000 -0.000) 5.314 4.575 ( -3.680 0.000 0.000) 3.680 5.629 ( -8.754 0.000 0.000) 8.754 5.780 ( 3.680 -0.000 -0.000) 3.680 6.116 ( -9.053 0.000 0.000) 9.053 6.127 ( 2.153 -0.000 -0.000) 2.153 6.219 ( 7.041 -0.000 -0.000) 7.041 6.335 ( 7.511 -0.000 -0.000) 7.511 8.140 ( -5.218 0.000 0.000) 5.218 8.141 ( -6.023 0.000 0.000) 6.023 8.255 ( 3.842 -0.000 -0.000) 3.842 8.284 ( 8.877 -0.000 -0.000) 8.877 8.947 ( -7.168 0.000 0.000) 7.168 9.032 ( -8.010 0.000 0.000) 8.010 9.072 ( 5.181 -0.000 -0.000) 5.181 9.222 ( 8.999 -0.000 -0.000) 8.999 9.396 ( -5.043 0.000 0.000) 5.043 9.455 ( 0.682 -0.000 -0.000) 0.682 9.592 ( -5.573 0.000 0.000) 5.573 9.765 ( 4.855 -0.000 -0.000) 4.855 9.771 ( 7.984 -0.000 -0.000) 7.984 9.893 ( 0.889 -0.000 -0.000) 0.889 10.004 ( -0.926 0.000 0.000) 0.926 10.053 ( 0.277 -0.000 -0.000) 0.277 10.107 ( 3.743 -0.000 -0.000) 3.743 10.143 ( -2.533 0.000 0.000) 2.533 ======================= Grid point 78 (51/60) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -1.167 -0.000 -22.012) 22.043 1.050 ( -9.373 -0.000 -17.805) 20.122 1.614 ( -2.723 0.000 -0.137) 2.726 1.671 ( -17.094 -0.000 -19.752) 26.121 1.775 ( -5.799 0.000 3.646) 6.850 1.786 ( -1.470 0.000 11.583) 11.676 1.872 ( -1.811 0.000 10.691) 10.844 1.880 ( 4.088 0.000 3.442) 5.344 1.932 ( -0.650 -0.000 -0.293) 0.713 1.960 ( -0.527 -0.000 -0.972) 1.106 2.101 ( -0.167 -0.000 -2.013) 2.020 2.144 ( -2.400 -0.000 -4.865) 5.424 2.353 ( 3.832 0.000 0.775) 3.910 2.385 ( 0.759 0.000 0.060) 0.761 2.410 ( 1.707 0.000 4.440) 4.757 2.422 ( -0.903 0.000 4.396) 4.488 2.503 ( -0.705 0.000 8.460) 8.490 2.616 ( -0.146 -0.000 -2.266) 2.270 2.639 ( -2.216 -0.000 -2.067) 3.030 2.896 ( -1.808 -0.000 -0.738) 1.953 3.083 ( 1.621 0.000 3.998) 4.314 3.192 ( 0.812 -0.000 -0.819) 1.153 3.320 ( 9.316 -0.000 0.099) 9.316 3.428 ( 9.431 0.000 2.052) 9.652 3.603 ( 2.048 -0.000 -0.274) 2.066 3.671 ( 3.432 -0.000 -0.410) 3.456 4.072 ( 0.334 0.000 0.670) 0.748 4.083 ( 8.981 0.000 1.456) 9.098 4.348 ( -1.716 -0.000 -5.238) 5.512 4.867 ( 4.862 -0.000 -0.076) 4.862 4.923 ( -12.020 0.000 -0.097) 12.020 5.591 ( -6.428 0.000 2.003) 6.733 5.687 ( -2.745 0.000 4.993) 5.698 6.502 ( 4.160 0.000 1.287) 4.354 6.520 ( 0.329 -0.000 -2.434) 2.456 6.632 ( 3.540 -0.000 -0.687) 3.606 8.053 ( 0.853 -0.000 -1.140) 1.424 8.095 ( -4.321 0.000 0.735) 4.383 8.127 ( 2.462 -0.000 -0.171) 2.468 8.519 ( -3.960 0.000 0.330) 3.973 8.847 ( 5.622 0.000 0.691) 5.664 9.042 ( 4.857 0.000 1.562) 5.102 9.124 ( -1.955 -0.000 -0.319) 1.981 9.198 ( -0.262 -0.000 -0.125) 0.290 9.260 ( -6.018 0.000 1.087) 6.115 9.297 ( -2.065 0.000 0.483) 2.120 9.397 ( -1.496 0.000 1.460) 2.091 9.819 ( -3.198 0.000 1.935) 3.738 9.879 ( -1.726 -0.000 -0.798) 1.902 9.926 ( 0.088 0.000 0.390) 0.400 9.978 ( -2.585 0.000 0.882) 2.732 10.069 ( 2.870 -0.000 -2.874) 4.062 10.070 ( 0.970 0.000 1.067) 1.442 10.355 ( 2.596 0.000 0.149) 2.600 ======================= Grid point 81 (52/60) ======================= q-point: (-0.49 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.641 -1.395 -0.000) 1.535 1.525 ( -6.801 4.590 0.000) 8.205 1.528 ( -3.233 6.195 0.000) 6.988 1.640 ( -3.041 3.773 0.000) 4.846 1.673 ( -8.559 -1.434 0.000) 8.678 1.782 ( -9.692 6.420 0.000) 11.625 1.866 ( 3.591 -6.603 -0.000) 7.516 1.959 ( -0.230 -0.721 -0.000) 0.756 1.988 ( -0.037 1.625 0.000) 1.626 2.158 ( -0.324 3.573 0.000) 3.587 2.218 ( 3.065 1.973 -0.000) 3.645 2.263 ( -3.164 -1.161 0.000) 3.370 2.324 ( -1.321 -2.455 -0.000) 2.788 2.358 ( -0.367 -2.297 -0.000) 2.326 2.373 ( -7.464 -7.698 0.000) 10.723 2.448 ( -5.494 -4.027 0.000) 6.812 2.553 ( -5.661 -7.953 -0.000) 9.762 2.563 ( -0.383 9.848 0.000) 9.856 2.589 ( -4.219 5.228 0.000) 6.718 2.879 ( 4.252 -1.534 -0.000) 4.520 3.002 ( 10.785 6.507 -0.000) 12.596 3.050 ( -0.757 0.206 0.000) 0.785 3.236 ( 12.437 -4.778 -0.000) 13.323 3.291 ( -0.279 -6.004 -0.000) 6.011 3.524 ( 7.081 2.459 -0.000) 7.496 3.541 ( 1.917 2.975 0.000) 3.539 3.882 ( 7.520 0.104 -0.000) 7.520 3.994 ( 6.082 1.512 -0.000) 6.267 4.516 ( -0.698 -6.253 -0.000) 6.292 4.731 ( 4.548 2.564 -0.000) 5.221 5.209 ( -12.049 -1.724 0.000) 12.172 5.533 ( -8.646 10.251 0.000) 13.411 5.917 ( -4.785 -9.998 -0.000) 11.084 6.383 ( 6.256 -1.086 -0.000) 6.350 6.482 ( 2.234 4.729 0.000) 5.230 6.533 ( 5.260 1.044 -0.000) 5.363 8.016 ( 3.855 -0.340 -0.000) 3.870 8.169 ( -3.715 3.071 0.000) 4.820 8.201 ( -0.885 -9.945 -0.000) 9.984 8.643 ( -5.571 -1.281 0.000) 5.716 8.676 ( 5.677 1.185 -0.000) 5.799 8.872 ( 3.165 6.451 0.000) 7.186 9.192 ( -3.606 -0.155 0.000) 3.609 9.211 ( 0.766 -0.759 -0.000) 1.078 9.251 ( -5.289 2.836 0.000) 6.001 9.399 ( -0.226 1.749 0.000) 1.764 9.516 ( -1.799 -8.206 -0.000) 8.401 9.862 ( -0.853 3.267 0.000) 3.376 9.874 ( -2.087 -0.850 0.000) 2.253 9.949 ( -1.798 1.611 0.000) 2.414 9.991 ( -1.812 2.768 0.000) 3.309 10.042 ( 2.202 0.369 -0.000) 2.232 10.085 ( 1.766 -4.352 -0.000) 4.696 10.268 ( 4.156 1.174 -0.000) 4.319 ======================= Grid point 83 (53/60) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 16.265 0.000) 16.265 1.190 ( 0.000 18.874 0.000) 18.874 1.411 ( -0.000 -4.315 -0.000) 4.315 1.526 ( -0.000 -0.948 -0.000) 0.948 1.596 ( -0.000 -10.732 -0.000) 10.732 1.709 ( -0.000 -2.948 -0.000) 2.948 1.865 ( 0.000 20.963 0.000) 20.963 1.971 ( -0.000 -0.639 -0.000) 0.639 1.971 ( 0.000 0.202 0.000) 0.202 2.109 ( -0.000 -7.046 -0.000) 7.046 2.177 ( -0.000 -6.123 -0.000) 6.123 2.194 ( 0.000 4.293 0.000) 4.293 2.300 ( -0.000 -12.388 -0.000) 12.388 2.359 ( 0.000 4.063 0.000) 4.063 2.363 ( 0.000 2.215 0.000) 2.215 2.422 ( 0.000 0.781 0.000) 0.781 2.439 ( -0.000 -6.950 -0.000) 6.950 2.439 ( 0.000 1.949 0.000) 1.949 2.676 ( -0.000 -9.232 -0.000) 9.232 2.729 ( 0.000 3.418 0.000) 3.418 3.189 ( 0.000 7.580 0.000) 7.580 3.291 ( -0.000 -2.958 -0.000) 2.958 3.430 ( 0.000 7.029 0.000) 7.029 3.469 ( -0.000 -9.126 -0.000) 9.126 3.615 ( -0.000 -1.493 -0.000) 1.493 3.632 ( 0.000 2.617 0.000) 2.617 4.061 ( 0.000 1.273 0.000) 1.273 4.100 ( -0.000 -1.465 -0.000) 1.465 4.825 ( -0.000 -2.669 -0.000) 2.669 4.842 ( -0.000 -16.236 -0.000) 16.236 4.898 ( 0.000 2.343 0.000) 2.343 4.931 ( 0.000 16.880 0.000) 16.880 6.036 ( -0.000 -12.475 -0.000) 12.475 6.380 ( 0.000 8.697 0.000) 8.697 6.534 ( -0.000 -0.463 -0.000) 0.463 6.638 ( 0.000 0.608 0.000) 0.608 8.059 ( -0.000 -1.287 -0.000) 1.287 8.101 ( 0.000 1.481 0.000) 1.481 8.427 ( -0.000 -15.536 -0.000) 15.536 8.630 ( 0.000 15.402 0.000) 15.402 8.658 ( -0.000 -7.356 -0.000) 7.356 8.757 ( 0.000 5.913 0.000) 5.913 9.124 ( -0.000 -0.912 -0.000) 0.912 9.139 ( 0.000 0.917 0.000) 0.917 9.284 ( -0.000 -4.263 -0.000) 4.263 9.317 ( 0.000 2.338 0.000) 2.338 9.686 ( -0.000 -9.694 -0.000) 9.694 9.825 ( -0.000 -1.025 -0.000) 1.025 9.842 ( -0.000 -4.204 -0.000) 4.204 9.844 ( 0.000 4.509 0.000) 4.509 9.886 ( 0.000 2.089 0.000) 2.089 10.055 ( 0.000 3.840 0.000) 3.840 10.221 ( -0.000 -5.394 -0.000) 5.394 10.314 ( 0.000 3.357 0.000) 3.357 ======================= Grid point 92 (54/60) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -7.778 0.000 0.000) 7.778 1.654 ( 0.167 -0.000 -0.000) 0.167 1.704 ( 2.778 -0.000 -0.000) 2.778 1.721 ( -5.515 0.000 0.000) 5.515 1.751 ( -5.527 0.000 0.000) 5.527 1.808 ( -3.976 0.000 0.000) 3.976 1.953 ( -1.478 0.000 0.000) 1.478 1.971 ( -1.011 0.000 0.000) 1.011 2.052 ( -5.278 0.000 0.000) 5.278 2.058 ( 9.579 -0.000 -0.000) 9.579 2.234 ( 1.043 -0.000 -0.000) 1.043 2.253 ( 3.260 -0.000 -0.000) 3.260 2.330 ( -0.414 0.000 0.000) 0.414 2.413 ( 5.427 -0.000 -0.000) 5.427 2.431 ( -5.454 0.000 0.000) 5.454 2.437 ( -6.272 0.000 0.000) 6.272 2.525 ( 1.972 -0.000 -0.000) 1.972 2.638 ( -5.619 0.000 0.000) 5.619 2.808 ( -8.878 0.000 0.000) 8.878 2.854 ( 13.661 -0.000 -0.000) 13.661 2.925 ( -1.050 0.000 0.000) 1.050 2.977 ( -2.322 0.000 0.000) 2.322 3.002 ( -3.502 0.000 0.000) 3.502 3.334 ( -3.253 0.000 0.000) 3.253 3.382 ( 7.355 -0.000 -0.000) 7.355 3.502 ( 3.592 -0.000 -0.000) 3.592 3.716 ( 8.972 -0.000 -0.000) 8.972 3.832 ( 11.067 -0.000 -0.000) 11.067 4.505 ( -3.036 0.000 0.000) 3.036 4.669 ( 3.957 -0.000 -0.000) 3.957 5.431 ( -10.295 0.000 0.000) 10.295 5.792 ( -1.971 0.000 0.000) 1.971 5.923 ( -9.250 0.000 0.000) 9.250 6.229 ( 6.685 -0.000 -0.000) 6.685 6.388 ( 8.382 -0.000 -0.000) 8.382 6.462 ( 4.539 -0.000 -0.000) 4.539 8.056 ( -2.112 0.000 0.000) 2.112 8.064 ( -1.688 0.000 0.000) 1.688 8.286 ( -1.538 0.000 0.000) 1.538 8.483 ( 9.945 -0.000 -0.000) 9.945 8.787 ( -7.882 0.000 0.000) 7.882 8.914 ( -2.327 0.000 0.000) 2.327 9.157 ( 2.996 -0.000 -0.000) 2.996 9.285 ( -5.174 0.000 0.000) 5.174 9.369 ( 4.818 -0.000 -0.000) 4.818 9.422 ( -3.164 0.000 0.000) 3.164 9.485 ( -5.007 0.000 0.000) 5.007 9.862 ( 3.027 -0.000 -0.000) 3.027 9.919 ( 5.157 -0.000 -0.000) 5.157 9.931 ( 2.215 -0.000 -0.000) 2.215 9.977 ( -0.954 0.000 0.000) 0.954 10.048 ( -0.760 0.000 0.000) 0.760 10.078 ( -3.280 0.000 0.000) 3.280 10.186 ( 4.112 -0.000 -0.000) 4.112 ======================= Grid point 94 (55/60) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 -0.000 -19.590) 19.590 1.036 ( 0.000 -0.000 -19.875) 19.875 1.452 ( 0.000 -0.000 -28.366) 28.366 1.609 ( -0.000 0.000 6.927) 6.927 1.675 ( -0.000 0.000 0.595) 0.595 1.765 ( -0.000 0.000 13.713) 13.713 1.847 ( -0.000 0.000 10.531) 10.531 1.922 ( 0.000 -0.000 -0.607) 0.607 1.940 ( -0.000 0.000 3.145) 3.145 1.958 ( -0.000 0.000 0.642) 0.642 2.103 ( 0.000 -0.000 -1.955) 1.955 2.115 ( 0.000 -0.000 -5.735) 5.735 2.356 ( -0.000 0.000 2.874) 2.874 2.393 ( -0.000 0.000 1.795) 1.795 2.455 ( 0.000 -0.000 -0.110) 0.110 2.462 ( -0.000 0.000 1.888) 1.888 2.491 ( -0.000 0.000 12.509) 12.509 2.599 ( 0.000 -0.000 -0.642) 0.642 2.617 ( 0.000 -0.000 -3.021) 3.021 2.874 ( 0.000 -0.000 -0.295) 0.295 3.083 ( -0.000 0.000 3.834) 3.834 3.218 ( 0.000 -0.000 -0.838) 0.838 3.433 ( 0.000 -0.000 -0.584) 0.584 3.534 ( -0.000 0.000 2.452) 2.452 3.612 ( -0.000 0.000 1.482) 1.482 3.712 ( 0.000 -0.000 -1.207) 1.207 4.063 ( -0.000 0.000 0.532) 0.532 4.212 ( -0.000 0.000 1.214) 1.214 4.328 ( 0.000 -0.000 -5.585) 5.585 4.760 ( -0.000 0.000 0.468) 0.468 4.933 ( 0.000 -0.000 -0.789) 0.789 5.515 ( -0.000 0.000 2.787) 2.787 5.656 ( -0.000 0.000 6.133) 6.133 6.520 ( 0.000 -0.000 -2.948) 2.948 6.549 ( -0.000 0.000 1.642) 1.642 6.669 ( 0.000 -0.000 -0.259) 0.259 8.043 ( -0.000 0.000 0.702) 0.702 8.066 ( 0.000 -0.000 -1.241) 1.241 8.156 ( 0.000 -0.000 -0.352) 0.352 8.476 ( -0.000 0.000 0.477) 0.477 8.908 ( -0.000 0.000 0.712) 0.712 9.104 ( 0.000 -0.000 -0.170) 0.170 9.136 ( -0.000 0.000 0.328) 0.328 9.144 ( -0.000 0.000 2.450) 2.450 9.196 ( 0.000 -0.000 -0.185) 0.185 9.273 ( -0.000 0.000 0.452) 0.452 9.378 ( -0.000 0.000 2.194) 2.194 9.781 ( -0.000 0.000 2.263) 2.263 9.863 ( 0.000 -0.000 -0.521) 0.521 9.929 ( -0.000 0.000 0.115) 0.115 9.939 ( -0.000 0.000 0.209) 0.209 10.078 ( -0.000 0.000 1.600) 1.600 10.101 ( 0.000 -0.000 -2.408) 2.408 10.383 ( -0.000 0.000 0.128) 0.128 ======================= Grid point 97 (56/60) ======================= q-point: ( 0.46 0.54 -0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -4.817 0.778 0.000) 4.880 1.412 ( -5.404 8.484 0.000) 10.059 1.507 ( -6.659 -5.241 0.000) 8.475 1.560 ( -1.066 -1.207 0.000) 1.611 1.575 ( 2.770 2.364 -0.000) 3.642 1.590 ( -7.544 12.074 0.000) 14.237 1.931 ( 3.015 -6.860 -0.000) 7.493 1.957 ( 0.003 -0.886 -0.000) 0.886 1.979 ( -0.780 -0.006 0.000) 0.781 2.103 ( -1.420 2.678 0.000) 3.031 2.143 ( -6.544 -3.723 0.000) 7.529 2.188 ( -6.274 -6.777 0.000) 9.235 2.303 ( -0.174 0.784 0.000) 0.804 2.322 ( -0.568 -5.324 -0.000) 5.354 2.347 ( -0.299 0.157 0.000) 0.337 2.399 ( 2.597 0.012 -0.000) 2.597 2.511 ( -0.109 -7.611 -0.000) 7.612 2.542 ( -1.164 11.713 0.000) 11.770 2.560 ( 0.366 8.450 0.000) 8.458 2.830 ( -6.292 -0.036 0.000) 6.292 3.150 ( 6.910 -2.712 -0.000) 7.423 3.223 ( 9.301 7.049 -0.000) 11.671 3.285 ( -0.525 -9.930 -0.000) 9.944 3.465 ( 8.698 -3.937 -0.000) 9.547 3.560 ( -0.115 4.269 0.000) 4.271 3.647 ( 4.321 3.179 -0.000) 5.364 4.034 ( 6.768 2.182 -0.000) 7.111 4.066 ( 1.174 -0.196 -0.000) 1.190 4.519 ( 1.376 -9.611 -0.000) 9.709 4.844 ( 6.087 2.722 -0.000) 6.668 4.949 ( -12.332 -2.803 0.000) 12.646 5.348 ( -8.459 12.882 0.000) 15.411 5.830 ( -3.242 -12.291 -0.000) 12.712 6.490 ( 3.733 -0.457 -0.000) 3.760 6.506 ( 0.607 5.076 0.000) 5.113 6.624 ( 2.998 1.230 -0.000) 3.240 8.082 ( -3.698 0.281 0.000) 3.708 8.095 ( 3.268 -0.553 -0.000) 3.314 8.190 ( -0.426 -8.543 -0.000) 8.554 8.557 ( -2.634 -4.284 -0.000) 5.029 8.789 ( 4.742 5.611 0.000) 7.346 8.923 ( 0.645 9.345 0.000) 9.367 9.132 ( -2.022 -0.413 0.000) 2.063 9.160 ( -2.237 1.643 0.000) 2.775 9.221 ( -0.206 -2.320 -0.000) 2.329 9.369 ( -2.010 1.082 0.000) 2.283 9.485 ( -1.171 -11.584 -0.000) 11.643 9.812 ( -2.990 -1.804 0.000) 3.492 9.844 ( -0.654 2.580 0.000) 2.661 9.916 ( -1.015 1.618 0.000) 1.910 9.947 ( -2.102 2.045 0.000) 2.932 10.089 ( 1.982 1.869 -0.000) 2.724 10.113 ( 0.715 -4.950 -0.000) 5.002 10.338 ( 2.397 1.638 -0.000) 2.903 ======================= Grid point 111 (57/60) ======================= q-point: (-0.39 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.856 -0.000 -0.000) 0.856 1.581 ( -5.041 0.000 0.000) 5.041 1.591 ( -6.670 0.000 0.000) 6.670 1.629 ( -11.219 0.000 0.000) 11.219 1.736 ( -0.906 0.000 0.000) 0.906 1.751 ( 3.442 -0.000 -0.000) 3.442 1.866 ( -6.177 0.000 0.000) 6.177 1.946 ( -0.676 0.000 0.000) 0.676 2.009 ( -1.231 0.000 0.000) 1.231 2.184 ( -3.728 0.000 0.000) 3.728 2.234 ( 4.737 -0.000 -0.000) 4.737 2.292 ( -6.167 0.000 0.000) 6.167 2.296 ( -6.752 0.000 0.000) 6.752 2.312 ( -4.369 0.000 0.000) 4.369 2.317 ( 3.293 -0.000 -0.000) 3.293 2.386 ( -3.850 0.000 0.000) 3.850 2.458 ( -5.723 0.000 0.000) 5.723 2.649 ( -3.410 0.000 0.000) 3.410 2.662 ( 4.615 -0.000 -0.000) 4.615 2.945 ( 3.989 -0.000 -0.000) 3.989 2.947 ( -1.548 0.000 0.000) 1.548 3.100 ( 9.787 -0.000 -0.000) 9.787 3.155 ( 13.868 -0.000 -0.000) 13.868 3.250 ( -4.316 0.000 0.000) 4.316 3.551 ( 7.769 -0.000 -0.000) 7.769 3.568 ( 2.622 -0.000 -0.000) 2.622 3.885 ( 7.908 -0.000 -0.000) 7.908 4.010 ( 5.616 -0.000 -0.000) 5.616 4.450 ( -2.168 0.000 0.000) 2.168 4.753 ( 4.656 -0.000 -0.000) 4.656 5.195 ( -12.458 0.000 0.000) 12.458 5.719 ( -4.642 0.000 0.000) 4.642 5.735 ( -8.745 0.000 0.000) 8.745 6.372 ( 6.518 -0.000 -0.000) 6.518 6.527 ( 1.949 -0.000 -0.000) 1.949 6.544 ( 6.205 -0.000 -0.000) 6.205 8.045 ( 0.720 -0.000 -0.000) 0.720 8.072 ( 2.133 -0.000 -0.000) 2.133 8.200 ( -5.751 0.000 0.000) 5.751 8.631 ( -6.827 0.000 0.000) 6.827 8.683 ( 8.952 -0.000 -0.000) 8.952 8.935 ( 3.415 -0.000 -0.000) 3.415 9.190 ( -3.836 0.000 0.000) 3.836 9.197 ( 0.844 -0.000 -0.000) 0.844 9.348 ( -3.425 0.000 0.000) 3.425 9.374 ( -5.740 0.000 0.000) 5.740 9.415 ( -0.351 0.000 0.000) 0.351 9.866 ( -2.366 0.000 0.000) 2.366 9.926 ( -1.054 0.000 0.000) 1.054 9.938 ( -2.153 0.000 0.000) 2.153 10.019 ( -2.048 0.000 0.000) 2.048 10.028 ( 2.758 -0.000 -0.000) 2.758 10.055 ( 1.814 -0.000 -0.000) 1.814 10.278 ( 4.385 -0.000 -0.000) 4.385 ======================= Grid point 113 (58/60) ======================= q-point: ( 0.40 0.60 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 11.698 0.000) 11.698 1.346 ( -0.000 -3.057 -0.000) 3.057 1.429 ( -0.000 -6.675 -0.000) 6.675 1.505 ( 0.000 14.563 0.000) 14.563 1.526 ( 0.000 0.228 0.000) 0.228 1.646 ( -0.000 -2.625 -0.000) 2.625 1.960 ( -0.000 -0.353 -0.000) 0.353 1.965 ( -0.000 -1.364 -0.000) 1.364 1.972 ( -0.000 -6.979 -0.000) 6.979 2.063 ( -0.000 -4.881 -0.000) 4.881 2.090 ( 0.000 4.775 0.000) 4.775 2.127 ( -0.000 -5.703 -0.000) 5.703 2.257 ( -0.000 -0.355 -0.000) 0.355 2.316 ( -0.000 -5.566 -0.000) 5.566 2.384 ( -0.000 -0.562 -0.000) 0.562 2.444 ( 0.000 2.899 0.000) 2.899 2.506 ( 0.000 6.813 0.000) 6.813 2.512 ( -0.000 -7.363 -0.000) 7.363 2.587 ( 0.000 17.480 0.000) 17.480 2.740 ( -0.000 -2.271 -0.000) 2.271 3.246 ( -0.000 -1.748 -0.000) 1.748 3.261 ( -0.000 -13.263 -0.000) 13.263 3.335 ( 0.000 7.618 0.000) 7.618 3.544 ( 0.000 4.757 0.000) 4.757 3.568 ( -0.000 -3.621 -0.000) 3.621 3.693 ( 0.000 3.287 0.000) 3.287 4.071 ( -0.000 -1.372 -0.000) 1.372 4.118 ( 0.000 4.803 0.000) 4.803 4.560 ( -0.000 -13.529 -0.000) 13.529 4.777 ( -0.000 -2.228 -0.000) 2.228 4.932 ( 0.000 1.224 0.000) 1.224 5.236 ( 0.000 15.835 0.000) 15.835 5.794 ( -0.000 -13.457 -0.000) 13.457 6.512 ( 0.000 5.051 0.000) 5.051 6.530 ( -0.000 -0.061 -0.000) 0.061 6.655 ( 0.000 1.239 0.000) 1.239 8.040 ( -0.000 -0.690 -0.000) 0.690 8.135 ( 0.000 2.072 0.000) 2.072 8.181 ( -0.000 -10.110 -0.000) 10.110 8.531 ( -0.000 -5.792 -0.000) 5.792 8.854 ( 0.000 4.289 0.000) 4.289 8.906 ( 0.000 14.217 0.000) 14.217 9.111 ( -0.000 -0.467 -0.000) 0.467 9.145 ( -0.000 -0.501 -0.000) 0.501 9.217 ( -0.000 -2.400 -0.000) 2.400 9.344 ( 0.000 0.642 0.000) 0.642 9.471 ( -0.000 -13.140 -0.000) 13.140 9.777 ( -0.000 -2.580 -0.000) 2.580 9.837 ( 0.000 2.090 0.000) 2.090 9.907 ( 0.000 2.281 0.000) 2.281 9.921 ( 0.000 1.516 0.000) 1.516 10.112 ( 0.000 2.128 0.000) 2.128 10.119 ( -0.000 -5.208 -0.000) 5.208 10.364 ( 0.000 1.879 0.000) 1.879 ======================= Grid point 128 (59/60) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -8.748 0.000 0.000) 8.748 1.449 ( -6.623 0.000 0.000) 6.623 1.495 ( -2.960 0.000 0.000) 2.960 1.522 ( 3.433 -0.000 -0.000) 3.433 1.648 ( -5.576 0.000 0.000) 5.576 1.734 ( -5.552 0.000 0.000) 5.552 1.838 ( 4.339 -0.000 -0.000) 4.339 1.937 ( -0.365 0.000 0.000) 0.365 1.974 ( -1.640 0.000 0.000) 1.640 2.088 ( -5.014 0.000 0.000) 5.014 2.129 ( -5.667 0.000 0.000) 5.667 2.152 ( -3.259 0.000 0.000) 3.259 2.265 ( -0.709 0.000 0.000) 0.709 2.296 ( -4.344 0.000 0.000) 4.344 2.343 ( 3.260 -0.000 -0.000) 3.260 2.398 ( 4.363 -0.000 -0.000) 4.363 2.432 ( 0.407 -0.000 -0.000) 0.407 2.652 ( 2.062 -0.000 -0.000) 2.062 2.664 ( -3.074 0.000 0.000) 3.074 2.906 ( -2.151 0.000 0.000) 2.151 3.029 ( 1.510 -0.000 -0.000) 1.510 3.204 ( 0.909 -0.000 -0.000) 0.909 3.318 ( 9.668 -0.000 -0.000) 9.668 3.400 ( 9.089 -0.000 -0.000) 9.089 3.601 ( 0.302 -0.000 -0.000) 0.302 3.681 ( 4.435 -0.000 -0.000) 4.435 4.064 ( 0.192 -0.000 -0.000) 0.192 4.065 ( 9.272 -0.000 -0.000) 9.272 4.414 ( -1.355 0.000 0.000) 1.355 4.868 ( 5.808 -0.000 -0.000) 5.808 4.924 ( -12.762 0.000 0.000) 12.762 5.565 ( -7.124 0.000 0.000) 7.124 5.621 ( -4.071 0.000 0.000) 4.071 6.485 ( 4.052 -0.000 -0.000) 4.052 6.552 ( 0.611 -0.000 -0.000) 0.611 6.640 ( 3.068 -0.000 -0.000) 3.068 8.068 ( 1.153 -0.000 -0.000) 1.153 8.086 ( -4.557 0.000 0.000) 4.557 8.129 ( 2.664 -0.000 -0.000) 2.664 8.515 ( -4.100 0.000 0.000) 4.100 8.839 ( 5.567 -0.000 -0.000) 5.567 9.022 ( 4.497 -0.000 -0.000) 4.497 9.128 ( -2.062 0.000 0.000) 2.062 9.200 ( -0.175 0.000 0.000) 0.175 9.247 ( -6.356 0.000 0.000) 6.356 9.292 ( -1.973 0.000 0.000) 1.973 9.377 ( -2.389 0.000 0.000) 2.389 9.795 ( -3.535 0.000 0.000) 3.535 9.889 ( -1.866 0.000 0.000) 1.866 9.921 ( 0.401 -0.000 -0.000) 0.401 9.968 ( -2.530 0.000 0.000) 2.530 10.058 ( 0.382 -0.000 -0.000) 0.382 10.106 ( 2.257 -0.000 -0.000) 2.257 10.354 ( 2.619 -0.000 -0.000) 2.619 ======================= Grid point 145 (60/60) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 -0.000 0.000) 0.000 1.365 ( -0.000 0.000 0.000) 0.000 1.463 ( -0.000 0.000 0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 -0.000 0.000) 0.000 1.671 ( -0.000 0.000 0.000) 0.000 1.894 ( -0.000 -0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 1.958 ( -0.000 0.000 0.000) 0.000 2.017 ( -0.000 -0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 -0.000 0.000) 0.000 2.261 ( -0.000 0.000 0.000) 0.000 2.377 ( -0.000 0.000 0.000) 0.000 2.438 ( -0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.604 ( -0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.230 ( -0.000 0.000 0.000) 0.000 3.440 ( -0.000 0.000 0.000) 0.000 3.502 ( -0.000 0.000 0.000) 0.000 3.590 ( -0.000 0.000 0.000) 0.000 3.728 ( -0.000 0.000 0.000) 0.000 4.057 ( -0.000 0.000 0.000) 0.000 4.197 ( -0.000 0.000 0.000) 0.000 4.398 ( -0.000 0.000 0.000) 0.000 4.754 ( -0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 0.000) 0.000 5.479 ( -0.000 0.000 0.000) 0.000 5.575 ( -0.000 0.000 0.000) 0.000 6.530 ( -0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.672 ( -0.000 0.000 0.000) 0.000 8.034 ( -0.000 0.000 0.000) 0.000 8.082 ( -0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.470 ( -0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 9.107 ( -0.000 -0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.132 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.269 ( -0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 9.928 ( -0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 10.059 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.381 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/14580 10.0 199.014 245.289 146.508 0.000 -0.000 0.000 3/14580 20.0 47.813 43.951 33.414 0.000 -0.000 0.000 3/14580 30.0 25.246 22.273 17.065 0.000 -0.000 0.000 3/14580 40.0 17.449 15.164 11.399 0.000 -0.000 0.000 3/14580 50.0 13.563 11.625 8.550 0.000 -0.000 0.000 3/14580 60.0 11.199 9.499 6.841 0.000 -0.000 0.000 3/14580 70.0 9.585 8.079 5.702 0.000 -0.000 0.000 3/14580 80.0 8.403 7.062 4.890 0.000 -0.000 0.000 3/14580 90.0 7.494 6.296 4.283 0.000 -0.000 0.000 3/14580 100.0 6.772 5.695 3.810 0.000 -0.000 0.000 3/14580 110.0 6.182 5.210 3.433 0.000 -0.000 0.000 3/14580 120.0 5.690 4.807 3.125 0.000 -0.000 0.000 3/14580 130.0 5.274 4.467 2.869 0.000 -0.000 0.000 3/14580 140.0 4.915 4.174 2.651 0.000 -0.000 0.000 3/14580 150.0 4.604 3.919 2.465 0.000 -0.000 0.000 3/14580 160.0 4.330 3.695 2.304 0.000 -0.000 0.000 3/14580 170.0 4.088 3.496 2.163 0.000 -0.000 0.000 3/14580 180.0 3.871 3.317 2.039 0.000 -0.000 0.000 3/14580 190.0 3.677 3.156 1.928 0.000 -0.000 0.000 3/14580 200.0 3.502 3.010 1.829 0.000 -0.000 0.000 3/14580 210.0 3.342 2.877 1.739 0.000 -0.000 0.000 3/14580 220.0 3.196 2.756 1.658 0.000 -0.000 0.000 3/14580 230.0 3.063 2.644 1.585 0.000 -0.000 0.000 3/14580 240.0 2.941 2.541 1.517 0.000 -0.000 0.000 3/14580 250.0 2.827 2.446 1.456 0.000 -0.000 0.000 3/14580 260.0 2.723 2.357 1.399 0.000 -0.000 0.000 3/14580 270.0 2.625 2.275 1.346 0.000 -0.000 0.000 3/14580 280.0 2.535 2.198 1.297 0.000 -0.000 0.000 3/14580 290.0 2.450 2.126 1.252 0.000 -0.000 0.000 3/14580 300.0 2.371 2.058 1.210 0.000 -0.000 0.000 3/14580 310.0 2.297 1.995 1.171 0.000 -0.000 0.000 3/14580 320.0 2.227 1.936 1.134 0.000 -0.000 0.000 3/14580 330.0 2.162 1.880 1.099 0.000 -0.000 0.000 3/14580 340.0 2.100 1.827 1.066 0.000 -0.000 0.000 3/14580 350.0 2.042 1.777 1.036 0.000 -0.000 0.000 3/14580 360.0 1.986 1.729 1.007 0.000 -0.000 0.000 3/14580 370.0 1.934 1.684 0.979 0.000 -0.000 0.000 3/14580 380.0 1.884 1.641 0.953 0.000 -0.000 0.000 3/14580 390.0 1.837 1.601 0.929 0.000 -0.000 0.000 3/14580 400.0 1.792 1.562 0.906 0.000 -0.000 0.000 3/14580 410.0 1.750 1.525 0.883 0.000 -0.000 0.000 3/14580 420.0 1.709 1.490 0.862 0.000 -0.000 0.000 3/14580 430.0 1.670 1.456 0.842 0.000 -0.000 0.000 3/14580 440.0 1.633 1.424 0.823 0.000 -0.000 0.000 3/14580 450.0 1.597 1.394 0.805 0.000 -0.000 0.000 3/14580 460.0 1.563 1.364 0.787 0.000 -0.000 0.000 3/14580 470.0 1.531 1.336 0.770 0.000 -0.000 0.000 3/14580 480.0 1.499 1.309 0.754 0.000 -0.000 0.000 3/14580 490.0 1.469 1.283 0.739 0.000 -0.000 0.000 3/14580 500.0 1.440 1.258 0.724 0.000 -0.000 0.000 3/14580 510.0 1.413 1.234 0.710 0.000 -0.000 0.000 3/14580 520.0 1.386 1.210 0.696 0.000 -0.000 0.000 3/14580 530.0 1.360 1.188 0.683 0.000 -0.000 0.000 3/14580 540.0 1.335 1.167 0.670 0.000 -0.000 0.000 3/14580 550.0 1.312 1.146 0.658 0.000 -0.000 0.000 3/14580 560.0 1.288 1.126 0.646 0.000 -0.000 0.000 3/14580 570.0 1.266 1.106 0.635 0.000 -0.000 0.000 3/14580 580.0 1.245 1.088 0.624 0.000 -0.000 0.000 3/14580 590.0 1.224 1.070 0.613 0.000 -0.000 0.000 3/14580 600.0 1.204 1.052 0.603 0.000 -0.000 0.000 3/14580 610.0 1.184 1.035 0.593 0.000 -0.000 0.000 3/14580 620.0 1.166 1.019 0.584 0.000 -0.000 0.000 3/14580 630.0 1.147 1.003 0.574 0.000 -0.000 0.000 3/14580 640.0 1.130 0.988 0.565 0.000 -0.000 0.000 3/14580 650.0 1.112 0.973 0.557 0.000 -0.000 0.000 3/14580 660.0 1.096 0.958 0.548 0.000 -0.000 0.000 3/14580 670.0 1.080 0.944 0.540 0.000 -0.000 0.000 3/14580 680.0 1.064 0.930 0.532 0.000 -0.000 0.000 3/14580 690.0 1.049 0.917 0.524 0.000 -0.000 0.000 3/14580 700.0 1.034 0.904 0.517 0.000 -0.000 0.000 3/14580 710.0 1.020 0.892 0.510 0.000 -0.000 0.000 3/14580 720.0 1.006 0.879 0.503 0.000 -0.000 0.000 3/14580 730.0 0.992 0.868 0.496 0.000 -0.000 0.000 3/14580 740.0 0.979 0.856 0.489 0.000 -0.000 0.000 3/14580 750.0 0.966 0.845 0.482 0.000 -0.000 0.000 3/14580 760.0 0.953 0.834 0.476 0.000 -0.000 0.000 3/14580 770.0 0.941 0.823 0.470 0.000 -0.000 0.000 3/14580 780.0 0.929 0.813 0.464 0.000 -0.000 0.000 3/14580 790.0 0.917 0.802 0.458 0.000 -0.000 0.000 3/14580 800.0 0.906 0.793 0.452 0.000 -0.000 0.000 3/14580 810.0 0.895 0.783 0.447 0.000 -0.000 0.000 3/14580 820.0 0.884 0.773 0.441 0.000 -0.000 0.000 3/14580 830.0 0.874 0.764 0.436 0.000 -0.000 0.000 3/14580 840.0 0.863 0.755 0.431 0.000 -0.000 0.000 3/14580 850.0 0.853 0.746 0.426 0.000 -0.000 0.000 3/14580 860.0 0.843 0.738 0.421 0.000 -0.000 0.000 3/14580 870.0 0.834 0.729 0.416 0.000 -0.000 0.000 3/14580 880.0 0.824 0.721 0.411 0.000 -0.000 0.000 3/14580 890.0 0.815 0.713 0.407 0.000 -0.000 0.000 3/14580 900.0 0.806 0.705 0.402 0.000 -0.000 0.000 3/14580 910.0 0.797 0.698 0.398 0.000 -0.000 0.000 3/14580 920.0 0.789 0.690 0.393 0.000 -0.000 0.000 3/14580 930.0 0.780 0.683 0.389 0.000 -0.000 0.000 3/14580 940.0 0.772 0.676 0.385 0.000 -0.000 0.000 3/14580 950.0 0.764 0.669 0.381 0.000 -0.000 0.000 3/14580 960.0 0.756 0.662 0.377 0.000 -0.000 0.000 3/14580 970.0 0.749 0.655 0.373 0.000 -0.000 0.000 3/14580 980.0 0.741 0.648 0.369 0.000 -0.000 0.000 3/14580 990.0 0.734 0.642 0.366 0.000 -0.000 0.000 3/14580 1000.0 0.726 0.636 0.362 0.000 -0.000 0.000 3/14580 Thermal conductivity related properties were written into "kappa-m1390.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:44:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|