----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:53:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602667510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.849450950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670409490000000 Atomic positions (fractional): *1 Pr 0.30101970694448 0.75000000000000 0.75000000000000 140.908 2 Pr 0.19898029305552 0.25000000000000 0.75000000000000 140.908 3 Pr 0.80101970694448 0.75000000000000 0.25000000000000 140.908 4 Pr 0.69898029305552 0.25000000000000 0.25000000000000 140.908 *5 Bi 0.25000000000000 0.00000000000000 0.29463473268350 208.980 6 Bi 0.25000000000000 0.50000000000000 0.20536526731650 208.980 7 Bi 0.75000000000000 0.50000000000000 0.79463473268350 208.980 8 Bi 0.75000000000000 0.00000000000000 0.70536526731650 208.980 *9 O 0.51311833619020 0.61709737069548 0.04933895889598 15.999 10 O 0.51311833619020 0.88290262930452 0.45066104110402 15.999 *11 O 0.38704741280759 0.12896033725670 0.06709313982218 15.999 12 O 0.38704741280759 0.37103966274330 0.43290686017782 15.999 13 O 0.11295258719241 0.62896033725670 0.43290686017782 15.999 14 O 0.11295258719241 0.87103966274330 0.06709313982218 15.999 15 O 0.98688166380980 0.11709737069548 0.45066104110402 15.999 16 O 0.98688166380980 0.38290262930452 0.04933895889598 15.999 17 O 0.01311833619020 0.61709737069548 0.95066104110402 15.999 18 O 0.01311833619020 0.88290262930452 0.54933895889598 15.999 19 O 0.88704741280759 0.12896033725670 0.93290686017782 15.999 20 O 0.88704741280759 0.37103966274330 0.56709313982218 15.999 21 O 0.61295258719241 0.62896033725670 0.56709313982218 15.999 22 O 0.61295258719241 0.87103966274330 0.93290686017782 15.999 23 O 0.48688166380980 0.11709737069548 0.54933895889598 15.999 24 O 0.48688166380980 0.38290262930452 0.95066104110402 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.602667510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.849450950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670409490000000 Atomic positions (fractional): *1 Pr 0.30101970694448 0.75000000000000 0.75000000000000 140.908 > 1 2 Pr 0.19898029305552 0.25000000000000 0.75000000000000 140.908 > 2 3 Pr 0.80101970694448 0.75000000000000 0.25000000000000 140.908 > 3 4 Pr 0.69898029305552 0.25000000000000 0.25000000000000 140.908 > 4 *5 Bi 0.25000000000000 0.00000000000000 0.29463473268350 208.980 > 5 6 Bi 0.25000000000000 0.50000000000000 0.20536526731650 208.980 > 6 7 Bi 0.75000000000000 0.50000000000000 0.79463473268350 208.980 > 7 8 Bi 0.75000000000000 0.00000000000000 0.70536526731650 208.980 > 8 *9 O 0.51311833619020 0.61709737069548 0.04933895889598 15.999 > 9 10 O 0.51311833619020 0.88290262930452 0.45066104110402 15.999 > 10 *11 O 0.38704741280759 0.12896033725670 0.06709313982218 15.999 > 11 12 O 0.38704741280759 0.37103966274330 0.43290686017782 15.999 > 12 13 O 0.11295258719241 0.62896033725670 0.43290686017782 15.999 > 13 14 O 0.11295258719241 0.87103966274330 0.06709313982218 15.999 > 14 15 O 0.98688166380980 0.11709737069548 0.45066104110402 15.999 > 15 16 O 0.98688166380980 0.38290262930452 0.04933895889598 15.999 > 16 17 O 0.01311833619020 0.61709737069548 0.95066104110402 15.999 > 17 18 O 0.01311833619020 0.88290262930452 0.54933895889598 15.999 > 18 19 O 0.88704741280759 0.12896033725670 0.93290686017782 15.999 > 19 20 O 0.88704741280759 0.37103966274330 0.56709313982218 15.999 > 20 21 O 0.61295258719241 0.62896033725670 0.56709313982218 15.999 > 21 22 O 0.61295258719241 0.87103966274330 0.93290686017782 15.999 > 22 23 O 0.48688166380980 0.11709737069548 0.54933895889598 15.999 > 23 24 O 0.48688166380980 0.38290262930452 0.95066104110402 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.205335020000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.849450950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.340818980000000 Atomic positions (fractional): *1 Pr 0.15050985347224 0.75000000000000 0.37500000000000 140.908 > 1 2 Pr 0.65050985347224 0.75000000000000 0.37500000000000 140.908 > 1 3 Pr 0.15050985347224 0.75000000000000 0.87500000000000 140.908 > 1 4 Pr 0.65050985347224 0.75000000000000 0.87500000000000 140.908 > 1 5 Pr 0.09949014652776 0.25000000000000 0.37500000000000 140.908 > 2 6 Pr 0.59949014652776 0.25000000000000 0.37500000000000 140.908 > 2 7 Pr 0.09949014652776 0.25000000000000 0.87500000000000 140.908 > 2 8 Pr 0.59949014652776 0.25000000000000 0.87500000000000 140.908 > 2 9 Pr 0.40050985347224 0.75000000000000 0.12500000000000 140.908 > 3 10 Pr 0.90050985347224 0.75000000000000 0.12500000000000 140.908 > 3 11 Pr 0.40050985347224 0.75000000000000 0.62500000000000 140.908 > 3 12 Pr 0.90050985347224 0.75000000000000 0.62500000000000 140.908 > 3 13 Pr 0.34949014652776 0.25000000000000 0.12500000000000 140.908 > 4 14 Pr 0.84949014652776 0.25000000000000 0.12500000000000 140.908 > 4 15 Pr 0.34949014652776 0.25000000000000 0.62500000000000 140.908 > 4 16 Pr 0.84949014652776 0.25000000000000 0.62500000000000 140.908 > 4 *17 Bi 0.12500000000000 0.00000000000000 0.14731736634175 208.980 > 5 18 Bi 0.62500000000000 0.00000000000000 0.14731736634175 208.980 > 5 19 Bi 0.12500000000000 0.00000000000000 0.64731736634175 208.980 > 5 20 Bi 0.62500000000000 0.00000000000000 0.64731736634175 208.980 > 5 21 Bi 0.12500000000000 0.50000000000000 0.10268263365825 208.980 > 6 22 Bi 0.62500000000000 0.50000000000000 0.10268263365825 208.980 > 6 23 Bi 0.12500000000000 0.50000000000000 0.60268263365825 208.980 > 6 24 Bi 0.62500000000000 0.50000000000000 0.60268263365825 208.980 > 6 25 Bi 0.37500000000000 0.50000000000000 0.39731736634175 208.980 > 7 26 Bi 0.87500000000000 0.50000000000000 0.39731736634175 208.980 > 7 27 Bi 0.37500000000000 0.50000000000000 0.89731736634175 208.980 > 7 28 Bi 0.87500000000000 0.50000000000000 0.89731736634175 208.980 > 7 29 Bi 0.37500000000000 0.00000000000000 0.35268263365825 208.980 > 8 30 Bi 0.87500000000000 0.00000000000000 0.35268263365825 208.980 > 8 31 Bi 0.37500000000000 0.00000000000000 0.85268263365825 208.980 > 8 32 Bi 0.87500000000000 0.00000000000000 0.85268263365825 208.980 > 8 *33 O 0.25655916809510 0.61709737069548 0.02466947944799 15.999 > 9 34 O 0.75655916809510 0.61709737069548 0.02466947944799 15.999 > 9 35 O 0.25655916809510 0.61709737069548 0.52466947944799 15.999 > 9 36 O 0.75655916809510 0.61709737069548 0.52466947944799 15.999 > 9 37 O 0.25655916809510 0.88290262930452 0.22533052055201 15.999 > 10 38 O 0.75655916809510 0.88290262930452 0.22533052055201 15.999 > 10 39 O 0.25655916809510 0.88290262930452 0.72533052055201 15.999 > 10 40 O 0.75655916809510 0.88290262930452 0.72533052055201 15.999 > 10 *41 O 0.19352370640379 0.12896033725670 0.03354656991109 15.999 > 11 42 O 0.69352370640379 0.12896033725670 0.03354656991109 15.999 > 11 43 O 0.19352370640379 0.12896033725670 0.53354656991109 15.999 > 11 44 O 0.69352370640379 0.12896033725670 0.53354656991109 15.999 > 11 45 O 0.19352370640379 0.37103966274330 0.21645343008891 15.999 > 12 46 O 0.69352370640379 0.37103966274330 0.21645343008891 15.999 > 12 47 O 0.19352370640379 0.37103966274330 0.71645343008891 15.999 > 12 48 O 0.69352370640379 0.37103966274330 0.71645343008891 15.999 > 12 49 O 0.05647629359621 0.62896033725670 0.21645343008891 15.999 > 13 50 O 0.55647629359621 0.62896033725670 0.21645343008891 15.999 > 13 51 O 0.05647629359621 0.62896033725670 0.71645343008891 15.999 > 13 52 O 0.55647629359621 0.62896033725670 0.71645343008891 15.999 > 13 53 O 0.05647629359621 0.87103966274330 0.03354656991109 15.999 > 14 54 O 0.55647629359621 0.87103966274330 0.03354656991109 15.999 > 14 55 O 0.05647629359621 0.87103966274330 0.53354656991109 15.999 > 14 56 O 0.55647629359621 0.87103966274330 0.53354656991109 15.999 > 14 57 O 0.49344083190490 0.11709737069548 0.22533052055201 15.999 > 15 58 O 0.99344083190490 0.11709737069548 0.22533052055201 15.999 > 15 59 O 0.49344083190490 0.11709737069548 0.72533052055201 15.999 > 15 60 O 0.99344083190490 0.11709737069548 0.72533052055201 15.999 > 15 61 O 0.49344083190490 0.38290262930452 0.02466947944799 15.999 > 16 62 O 0.99344083190490 0.38290262930452 0.02466947944799 15.999 > 16 63 O 0.49344083190490 0.38290262930452 0.52466947944799 15.999 > 16 64 O 0.99344083190490 0.38290262930452 0.52466947944799 15.999 > 16 65 O 0.00655916809510 0.61709737069548 0.47533052055201 15.999 > 17 66 O 0.50655916809510 0.61709737069548 0.47533052055201 15.999 > 17 67 O 0.00655916809510 0.61709737069548 0.97533052055201 15.999 > 17 68 O 0.50655916809510 0.61709737069548 0.97533052055201 15.999 > 17 69 O 0.00655916809510 0.88290262930452 0.27466947944799 15.999 > 18 70 O 0.50655916809510 0.88290262930452 0.27466947944799 15.999 > 18 71 O 0.00655916809510 0.88290262930452 0.77466947944799 15.999 > 18 72 O 0.50655916809510 0.88290262930452 0.77466947944799 15.999 > 18 73 O 0.44352370640379 0.12896033725670 0.46645343008891 15.999 > 19 74 O 0.94352370640379 0.12896033725670 0.46645343008891 15.999 > 19 75 O 0.44352370640379 0.12896033725670 0.96645343008891 15.999 > 19 76 O 0.94352370640379 0.12896033725670 0.96645343008891 15.999 > 19 77 O 0.44352370640379 0.37103966274330 0.28354656991109 15.999 > 20 78 O 0.94352370640379 0.37103966274330 0.28354656991109 15.999 > 20 79 O 0.44352370640379 0.37103966274330 0.78354656991109 15.999 > 20 80 O 0.94352370640379 0.37103966274330 0.78354656991109 15.999 > 20 81 O 0.30647629359621 0.62896033725670 0.28354656991109 15.999 > 21 82 O 0.80647629359621 0.62896033725670 0.28354656991109 15.999 > 21 83 O 0.30647629359621 0.62896033725670 0.78354656991109 15.999 > 21 84 O 0.80647629359621 0.62896033725670 0.78354656991109 15.999 > 21 85 O 0.30647629359621 0.87103966274330 0.46645343008891 15.999 > 22 86 O 0.80647629359621 0.87103966274330 0.46645343008891 15.999 > 22 87 O 0.30647629359621 0.87103966274330 0.96645343008891 15.999 > 22 88 O 0.80647629359621 0.87103966274330 0.96645343008891 15.999 > 22 89 O 0.24344083190490 0.11709737069548 0.27466947944799 15.999 > 23 90 O 0.74344083190490 0.11709737069548 0.27466947944799 15.999 > 23 91 O 0.24344083190490 0.11709737069548 0.77466947944799 15.999 > 23 92 O 0.74344083190490 0.11709737069548 0.77466947944799 15.999 > 23 93 O 0.24344083190490 0.38290262930452 0.47533052055201 15.999 > 24 94 O 0.74344083190490 0.38290262930452 0.47533052055201 15.999 > 24 95 O 0.24344083190490 0.38290262930452 0.97533052055201 15.999 > 24 96 O 0.74344083190490 0.38290262930452 0.97533052055201 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5436779 0.0000000 0.0000000 0.0000000 7.4265200 0.0000000 0.0000000 0.0000000 6.7926416 -------------------------- Born effective charges -------------------------- 1 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 0.1479356 0.0000000 0.2629331 3.8232435 2 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 -0.1479356 0.0000000 -0.2629331 3.8232435 3 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 -0.1479356 0.0000000 -0.2629331 3.8232435 4 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 0.1479356 0.0000000 0.2629331 3.8232435 5 Bi 5.2822413 -0.2202601 0.0000000 0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 6 Bi 5.2822413 0.2202601 0.0000000 -0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 7 Bi 5.2822413 0.2202601 0.0000000 -0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 8 Bi 5.2822413 -0.2202601 0.0000000 0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 9 O -2.6896132 -0.3216123 0.3270145 -0.2867764 -2.2582711 0.1068648 0.1996217 0.0496854 -1.9728839 10 O -2.6896132 0.3216123 -0.3270145 0.2867764 -2.2582711 0.1068648 -0.1996217 0.0496854 -1.9728839 11 O -1.9399105 -0.2908401 -0.3752419 -0.4998606 -2.3896561 0.4993122 -0.2237969 0.6378609 -2.2857173 12 O -1.9399105 0.2908401 0.3752419 0.4998606 -2.3896561 0.4993122 0.2237969 0.6378609 -2.2857173 13 O -1.9399105 0.2908401 -0.3752419 0.4998606 -2.3896561 -0.4993122 -0.2237969 -0.6378609 -2.2857173 14 O -1.9399105 -0.2908401 0.3752419 -0.4998606 -2.3896561 -0.4993122 0.2237969 -0.6378609 -2.2857173 15 O -2.6896132 0.3216123 0.3270145 0.2867764 -2.2582711 -0.1068648 0.1996217 -0.0496854 -1.9728839 16 O -2.6896132 -0.3216123 -0.3270145 -0.2867764 -2.2582711 -0.1068648 -0.1996217 -0.0496854 -1.9728839 17 O -2.6896132 -0.3216123 -0.3270145 -0.2867764 -2.2582711 -0.1068648 -0.1996217 -0.0496854 -1.9728839 18 O -2.6896132 0.3216123 0.3270145 0.2867764 -2.2582711 -0.1068648 0.1996217 -0.0496854 -1.9728839 19 O -1.9399105 -0.2908401 0.3752419 -0.4998606 -2.3896561 -0.4993122 0.2237969 -0.6378609 -2.2857173 20 O -1.9399105 0.2908401 -0.3752419 0.4998606 -2.3896561 -0.4993122 -0.2237969 -0.6378609 -2.2857173 21 O -1.9399105 0.2908401 0.3752419 0.4998606 -2.3896561 0.4993122 0.2237969 0.6378609 -2.2857173 22 O -1.9399105 -0.2908401 -0.3752419 -0.4998606 -2.3896561 0.4993122 -0.2237969 0.6378609 -2.2857173 23 O -2.6896132 0.3216123 -0.3270145 0.2867764 -2.2582711 0.1068648 -0.1996217 0.0496854 -1.9728839 24 O -2.6896132 -0.3216123 0.3270145 -0.2867764 -2.2582711 0.1068648 0.1996217 0.0496854 -1.9728839 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1362), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.535 Solver_block: 200 / 400 - Time: 1.530 Solver_block: 300 / 400 - Time: 1.528 Solver_block: 400 / 400 - Time: 1.526 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.151 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1362), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (288, 282), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:53:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:53:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602667510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.849450950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670409490000000 Atomic positions (fractional): 1 Pr 0.30101970694448 0.75000000000000 0.75000000000000 140.908 2 Pr 0.19898029305552 0.25000000000000 0.75000000000000 140.908 3 Pr 0.80101970694448 0.75000000000000 0.25000000000000 140.908 4 Pr 0.69898029305552 0.25000000000000 0.25000000000000 140.908 5 Bi 0.25000000000000 0.00000000000000 0.29463473268350 208.980 6 Bi 0.25000000000000 0.50000000000000 0.20536526731650 208.980 7 Bi 0.75000000000000 0.50000000000000 0.79463473268350 208.980 8 Bi 0.75000000000000 0.00000000000000 0.70536526731650 208.980 9 O 0.51311833619020 0.61709737069548 0.04933895889598 15.999 10 O 0.51311833619020 0.88290262930452 0.45066104110402 15.999 11 O 0.38704741280759 0.12896033725670 0.06709313982218 15.999 12 O 0.38704741280759 0.37103966274330 0.43290686017782 15.999 13 O 0.11295258719241 0.62896033725670 0.43290686017782 15.999 14 O 0.11295258719241 0.87103966274330 0.06709313982218 15.999 15 O 0.98688166380980 0.11709737069548 0.45066104110402 15.999 16 O 0.98688166380980 0.38290262930452 0.04933895889598 15.999 17 O 0.01311833619020 0.61709737069548 0.95066104110402 15.999 18 O 0.01311833619020 0.88290262930452 0.54933895889598 15.999 19 O 0.88704741280759 0.12896033725670 0.93290686017782 15.999 20 O 0.88704741280759 0.37103966274330 0.56709313982218 15.999 21 O 0.61295258719241 0.62896033725670 0.56709313982218 15.999 22 O 0.61295258719241 0.87103966274330 0.93290686017782 15.999 23 O 0.48688166380980 0.11709737069548 0.54933895889598 15.999 24 O 0.48688166380980 0.38290262930452 0.95066104110402 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.205335020000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.849450950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.340818980000000 Atomic positions (fractional): 1 Pr 0.15050985347224 0.75000000000000 0.37500000000000 140.908 > 1 2 Pr 0.65050985347224 0.75000000000000 0.37500000000000 140.908 > 1 3 Pr 0.15050985347224 0.75000000000000 0.87500000000000 140.908 > 1 4 Pr 0.65050985347224 0.75000000000000 0.87500000000000 140.908 > 1 5 Pr 0.09949014652776 0.25000000000000 0.37500000000000 140.908 > 5 6 Pr 0.59949014652776 0.25000000000000 0.37500000000000 140.908 > 5 7 Pr 0.09949014652776 0.25000000000000 0.87500000000000 140.908 > 5 8 Pr 0.59949014652776 0.25000000000000 0.87500000000000 140.908 > 5 9 Pr 0.40050985347224 0.75000000000000 0.12500000000000 140.908 > 9 10 Pr 0.90050985347224 0.75000000000000 0.12500000000000 140.908 > 9 11 Pr 0.40050985347224 0.75000000000000 0.62500000000000 140.908 > 9 12 Pr 0.90050985347224 0.75000000000000 0.62500000000000 140.908 > 9 13 Pr 0.34949014652776 0.25000000000000 0.12500000000000 140.908 > 13 14 Pr 0.84949014652776 0.25000000000000 0.12500000000000 140.908 > 13 15 Pr 0.34949014652776 0.25000000000000 0.62500000000000 140.908 > 13 16 Pr 0.84949014652776 0.25000000000000 0.62500000000000 140.908 > 13 17 Bi 0.12500000000000 0.00000000000000 0.14731736634175 208.980 > 17 18 Bi 0.62500000000000 0.00000000000000 0.14731736634175 208.980 > 17 19 Bi 0.12500000000000 0.00000000000000 0.64731736634175 208.980 > 17 20 Bi 0.62500000000000 0.00000000000000 0.64731736634175 208.980 > 17 21 Bi 0.12500000000000 0.50000000000000 0.10268263365825 208.980 > 21 22 Bi 0.62500000000000 0.50000000000000 0.10268263365825 208.980 > 21 23 Bi 0.12500000000000 0.50000000000000 0.60268263365825 208.980 > 21 24 Bi 0.62500000000000 0.50000000000000 0.60268263365825 208.980 > 21 25 Bi 0.37500000000000 0.50000000000000 0.39731736634175 208.980 > 25 26 Bi 0.87500000000000 0.50000000000000 0.39731736634175 208.980 > 25 27 Bi 0.37500000000000 0.50000000000000 0.89731736634175 208.980 > 25 28 Bi 0.87500000000000 0.50000000000000 0.89731736634175 208.980 > 25 29 Bi 0.37500000000000 0.00000000000000 0.35268263365825 208.980 > 29 30 Bi 0.87500000000000 0.00000000000000 0.35268263365825 208.980 > 29 31 Bi 0.37500000000000 0.00000000000000 0.85268263365825 208.980 > 29 32 Bi 0.87500000000000 0.00000000000000 0.85268263365825 208.980 > 29 33 O 0.25655916809510 0.61709737069548 0.02466947944799 15.999 > 33 34 O 0.75655916809510 0.61709737069548 0.02466947944799 15.999 > 33 35 O 0.25655916809510 0.61709737069548 0.52466947944799 15.999 > 33 36 O 0.75655916809510 0.61709737069548 0.52466947944799 15.999 > 33 37 O 0.25655916809510 0.88290262930452 0.22533052055201 15.999 > 37 38 O 0.75655916809510 0.88290262930452 0.22533052055201 15.999 > 37 39 O 0.25655916809510 0.88290262930452 0.72533052055201 15.999 > 37 40 O 0.75655916809510 0.88290262930452 0.72533052055201 15.999 > 37 41 O 0.19352370640379 0.12896033725670 0.03354656991109 15.999 > 41 42 O 0.69352370640379 0.12896033725670 0.03354656991109 15.999 > 41 43 O 0.19352370640379 0.12896033725670 0.53354656991109 15.999 > 41 44 O 0.69352370640379 0.12896033725670 0.53354656991109 15.999 > 41 45 O 0.19352370640379 0.37103966274330 0.21645343008891 15.999 > 45 46 O 0.69352370640379 0.37103966274330 0.21645343008891 15.999 > 45 47 O 0.19352370640379 0.37103966274330 0.71645343008891 15.999 > 45 48 O 0.69352370640379 0.37103966274330 0.71645343008891 15.999 > 45 49 O 0.05647629359621 0.62896033725670 0.21645343008891 15.999 > 49 50 O 0.55647629359621 0.62896033725670 0.21645343008891 15.999 > 49 51 O 0.05647629359621 0.62896033725670 0.71645343008891 15.999 > 49 52 O 0.55647629359621 0.62896033725670 0.71645343008891 15.999 > 49 53 O 0.05647629359621 0.87103966274330 0.03354656991109 15.999 > 53 54 O 0.55647629359621 0.87103966274330 0.03354656991109 15.999 > 53 55 O 0.05647629359621 0.87103966274330 0.53354656991109 15.999 > 53 56 O 0.55647629359621 0.87103966274330 0.53354656991109 15.999 > 53 57 O 0.49344083190490 0.11709737069548 0.22533052055201 15.999 > 57 58 O 0.99344083190490 0.11709737069548 0.22533052055201 15.999 > 57 59 O 0.49344083190490 0.11709737069548 0.72533052055201 15.999 > 57 60 O 0.99344083190490 0.11709737069548 0.72533052055201 15.999 > 57 61 O 0.49344083190490 0.38290262930452 0.02466947944799 15.999 > 61 62 O 0.99344083190490 0.38290262930452 0.02466947944799 15.999 > 61 63 O 0.49344083190490 0.38290262930452 0.52466947944799 15.999 > 61 64 O 0.99344083190490 0.38290262930452 0.52466947944799 15.999 > 61 65 O 0.00655916809510 0.61709737069548 0.47533052055201 15.999 > 65 66 O 0.50655916809510 0.61709737069548 0.47533052055201 15.999 > 65 67 O 0.00655916809510 0.61709737069548 0.97533052055201 15.999 > 65 68 O 0.50655916809510 0.61709737069548 0.97533052055201 15.999 > 65 69 O 0.00655916809510 0.88290262930452 0.27466947944799 15.999 > 69 70 O 0.50655916809510 0.88290262930452 0.27466947944799 15.999 > 69 71 O 0.00655916809510 0.88290262930452 0.77466947944799 15.999 > 69 72 O 0.50655916809510 0.88290262930452 0.77466947944799 15.999 > 69 73 O 0.44352370640379 0.12896033725670 0.46645343008891 15.999 > 73 74 O 0.94352370640379 0.12896033725670 0.46645343008891 15.999 > 73 75 O 0.44352370640379 0.12896033725670 0.96645343008891 15.999 > 73 76 O 0.94352370640379 0.12896033725670 0.96645343008891 15.999 > 73 77 O 0.44352370640379 0.37103966274330 0.28354656991109 15.999 > 77 78 O 0.94352370640379 0.37103966274330 0.28354656991109 15.999 > 77 79 O 0.44352370640379 0.37103966274330 0.78354656991109 15.999 > 77 80 O 0.94352370640379 0.37103966274330 0.78354656991109 15.999 > 77 81 O 0.30647629359621 0.62896033725670 0.28354656991109 15.999 > 81 82 O 0.80647629359621 0.62896033725670 0.28354656991109 15.999 > 81 83 O 0.30647629359621 0.62896033725670 0.78354656991109 15.999 > 81 84 O 0.80647629359621 0.62896033725670 0.78354656991109 15.999 > 81 85 O 0.30647629359621 0.87103966274330 0.46645343008891 15.999 > 85 86 O 0.80647629359621 0.87103966274330 0.46645343008891 15.999 > 85 87 O 0.30647629359621 0.87103966274330 0.96645343008891 15.999 > 85 88 O 0.80647629359621 0.87103966274330 0.96645343008891 15.999 > 85 89 O 0.24344083190490 0.11709737069548 0.27466947944799 15.999 > 89 90 O 0.74344083190490 0.11709737069548 0.27466947944799 15.999 > 89 91 O 0.24344083190490 0.11709737069548 0.77466947944799 15.999 > 89 92 O 0.74344083190490 0.11709737069548 0.77466947944799 15.999 > 89 93 O 0.24344083190490 0.38290262930452 0.47533052055201 15.999 > 93 94 O 0.74344083190490 0.38290262930452 0.47533052055201 15.999 > 93 95 O 0.24344083190490 0.38290262930452 0.97533052055201 15.999 > 93 96 O 0.74344083190490 0.38290262930452 0.97533052055201 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5436779 0.0000000 0.0000000 0.0000000 7.4265200 0.0000000 0.0000000 0.0000000 6.7926416 -------------------------- Born effective charges -------------------------- 1 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 0.1479356 0.0000000 0.2629331 3.8232435 2 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 -0.1479356 0.0000000 -0.2629331 3.8232435 3 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 -0.1479356 0.0000000 -0.2629331 3.8232435 4 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 0.1479356 0.0000000 0.2629331 3.8232435 5 Bi 5.2822413 -0.2202601 0.0000000 0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 6 Bi 5.2822413 0.2202601 0.0000000 -0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 7 Bi 5.2822413 0.2202601 0.0000000 -0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 8 Bi 5.2822413 -0.2202601 0.0000000 0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 9 O -2.6896132 -0.3216123 0.3270145 -0.2867764 -2.2582711 0.1068648 0.1996217 0.0496854 -1.9728839 10 O -2.6896132 0.3216123 -0.3270145 0.2867764 -2.2582711 0.1068648 -0.1996217 0.0496854 -1.9728839 11 O -1.9399105 -0.2908401 -0.3752419 -0.4998606 -2.3896561 0.4993122 -0.2237969 0.6378609 -2.2857173 12 O -1.9399105 0.2908401 0.3752419 0.4998606 -2.3896561 0.4993122 0.2237969 0.6378609 -2.2857173 13 O -1.9399105 0.2908401 -0.3752419 0.4998606 -2.3896561 -0.4993122 -0.2237969 -0.6378609 -2.2857173 14 O -1.9399105 -0.2908401 0.3752419 -0.4998606 -2.3896561 -0.4993122 0.2237969 -0.6378609 -2.2857173 15 O -2.6896132 0.3216123 0.3270145 0.2867764 -2.2582711 -0.1068648 0.1996217 -0.0496854 -1.9728839 16 O -2.6896132 -0.3216123 -0.3270145 -0.2867764 -2.2582711 -0.1068648 -0.1996217 -0.0496854 -1.9728839 17 O -2.6896132 -0.3216123 -0.3270145 -0.2867764 -2.2582711 -0.1068648 -0.1996217 -0.0496854 -1.9728839 18 O -2.6896132 0.3216123 0.3270145 0.2867764 -2.2582711 -0.1068648 0.1996217 -0.0496854 -1.9728839 19 O -1.9399105 -0.2908401 0.3752419 -0.4998606 -2.3896561 -0.4993122 0.2237969 -0.6378609 -2.2857173 20 O -1.9399105 0.2908401 -0.3752419 0.4998606 -2.3896561 -0.4993122 -0.2237969 -0.6378609 -2.2857173 21 O -1.9399105 0.2908401 0.3752419 0.4998606 -2.3896561 0.4993122 0.2237969 0.6378609 -2.2857173 22 O -1.9399105 -0.2908401 -0.3752419 -0.4998606 -2.3896561 0.4993122 -0.2237969 0.6378609 -2.2857173 23 O -2.6896132 0.3216123 -0.3270145 0.2867764 -2.2582711 0.1068648 -0.1996217 0.0496854 -1.9728839 24 O -2.6896132 -0.3216123 0.3270145 -0.2867764 -2.2582711 0.1068648 0.1996217 0.0496854 -1.9728839 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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: 0.00000019 (xxx) 0.00000019 (xxx) 0.00000019 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:54:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:54:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602667510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.849450950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670409490000000 Atomic positions (fractional): 1 Pr 0.30101970694448 0.75000000000000 0.75000000000000 140.908 2 Pr 0.19898029305552 0.25000000000000 0.75000000000000 140.908 3 Pr 0.80101970694448 0.75000000000000 0.25000000000000 140.908 4 Pr 0.69898029305552 0.25000000000000 0.25000000000000 140.908 5 Bi 0.25000000000000 0.00000000000000 0.29463473268350 208.980 6 Bi 0.25000000000000 0.50000000000000 0.20536526731650 208.980 7 Bi 0.75000000000000 0.50000000000000 0.79463473268350 208.980 8 Bi 0.75000000000000 0.00000000000000 0.70536526731650 208.980 9 O 0.51311833619020 0.61709737069548 0.04933895889598 15.999 10 O 0.51311833619020 0.88290262930452 0.45066104110402 15.999 11 O 0.38704741280759 0.12896033725670 0.06709313982218 15.999 12 O 0.38704741280759 0.37103966274330 0.43290686017782 15.999 13 O 0.11295258719241 0.62896033725670 0.43290686017782 15.999 14 O 0.11295258719241 0.87103966274330 0.06709313982218 15.999 15 O 0.98688166380980 0.11709737069548 0.45066104110402 15.999 16 O 0.98688166380980 0.38290262930452 0.04933895889598 15.999 17 O 0.01311833619020 0.61709737069548 0.95066104110402 15.999 18 O 0.01311833619020 0.88290262930452 0.54933895889598 15.999 19 O 0.88704741280759 0.12896033725670 0.93290686017782 15.999 20 O 0.88704741280759 0.37103966274330 0.56709313982218 15.999 21 O 0.61295258719241 0.62896033725670 0.56709313982218 15.999 22 O 0.61295258719241 0.87103966274330 0.93290686017782 15.999 23 O 0.48688166380980 0.11709737069548 0.54933895889598 15.999 24 O 0.48688166380980 0.38290262930452 0.95066104110402 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.205335020000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.849450950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.340818980000000 Atomic positions (fractional): 1 Pr 0.15050985347224 0.75000000000000 0.37500000000000 140.908 > 1 2 Pr 0.65050985347224 0.75000000000000 0.37500000000000 140.908 > 1 3 Pr 0.15050985347224 0.75000000000000 0.87500000000000 140.908 > 1 4 Pr 0.65050985347224 0.75000000000000 0.87500000000000 140.908 > 1 5 Pr 0.09949014652776 0.25000000000000 0.37500000000000 140.908 > 5 6 Pr 0.59949014652776 0.25000000000000 0.37500000000000 140.908 > 5 7 Pr 0.09949014652776 0.25000000000000 0.87500000000000 140.908 > 5 8 Pr 0.59949014652776 0.25000000000000 0.87500000000000 140.908 > 5 9 Pr 0.40050985347224 0.75000000000000 0.12500000000000 140.908 > 9 10 Pr 0.90050985347224 0.75000000000000 0.12500000000000 140.908 > 9 11 Pr 0.40050985347224 0.75000000000000 0.62500000000000 140.908 > 9 12 Pr 0.90050985347224 0.75000000000000 0.62500000000000 140.908 > 9 13 Pr 0.34949014652776 0.25000000000000 0.12500000000000 140.908 > 13 14 Pr 0.84949014652776 0.25000000000000 0.12500000000000 140.908 > 13 15 Pr 0.34949014652776 0.25000000000000 0.62500000000000 140.908 > 13 16 Pr 0.84949014652776 0.25000000000000 0.62500000000000 140.908 > 13 17 Bi 0.12500000000000 0.00000000000000 0.14731736634175 208.980 > 17 18 Bi 0.62500000000000 0.00000000000000 0.14731736634175 208.980 > 17 19 Bi 0.12500000000000 0.00000000000000 0.64731736634175 208.980 > 17 20 Bi 0.62500000000000 0.00000000000000 0.64731736634175 208.980 > 17 21 Bi 0.12500000000000 0.50000000000000 0.10268263365825 208.980 > 21 22 Bi 0.62500000000000 0.50000000000000 0.10268263365825 208.980 > 21 23 Bi 0.12500000000000 0.50000000000000 0.60268263365825 208.980 > 21 24 Bi 0.62500000000000 0.50000000000000 0.60268263365825 208.980 > 21 25 Bi 0.37500000000000 0.50000000000000 0.39731736634175 208.980 > 25 26 Bi 0.87500000000000 0.50000000000000 0.39731736634175 208.980 > 25 27 Bi 0.37500000000000 0.50000000000000 0.89731736634175 208.980 > 25 28 Bi 0.87500000000000 0.50000000000000 0.89731736634175 208.980 > 25 29 Bi 0.37500000000000 0.00000000000000 0.35268263365825 208.980 > 29 30 Bi 0.87500000000000 0.00000000000000 0.35268263365825 208.980 > 29 31 Bi 0.37500000000000 0.00000000000000 0.85268263365825 208.980 > 29 32 Bi 0.87500000000000 0.00000000000000 0.85268263365825 208.980 > 29 33 O 0.25655916809510 0.61709737069548 0.02466947944799 15.999 > 33 34 O 0.75655916809510 0.61709737069548 0.02466947944799 15.999 > 33 35 O 0.25655916809510 0.61709737069548 0.52466947944799 15.999 > 33 36 O 0.75655916809510 0.61709737069548 0.52466947944799 15.999 > 33 37 O 0.25655916809510 0.88290262930452 0.22533052055201 15.999 > 37 38 O 0.75655916809510 0.88290262930452 0.22533052055201 15.999 > 37 39 O 0.25655916809510 0.88290262930452 0.72533052055201 15.999 > 37 40 O 0.75655916809510 0.88290262930452 0.72533052055201 15.999 > 37 41 O 0.19352370640379 0.12896033725670 0.03354656991109 15.999 > 41 42 O 0.69352370640379 0.12896033725670 0.03354656991109 15.999 > 41 43 O 0.19352370640379 0.12896033725670 0.53354656991109 15.999 > 41 44 O 0.69352370640379 0.12896033725670 0.53354656991109 15.999 > 41 45 O 0.19352370640379 0.37103966274330 0.21645343008891 15.999 > 45 46 O 0.69352370640379 0.37103966274330 0.21645343008891 15.999 > 45 47 O 0.19352370640379 0.37103966274330 0.71645343008891 15.999 > 45 48 O 0.69352370640379 0.37103966274330 0.71645343008891 15.999 > 45 49 O 0.05647629359621 0.62896033725670 0.21645343008891 15.999 > 49 50 O 0.55647629359621 0.62896033725670 0.21645343008891 15.999 > 49 51 O 0.05647629359621 0.62896033725670 0.71645343008891 15.999 > 49 52 O 0.55647629359621 0.62896033725670 0.71645343008891 15.999 > 49 53 O 0.05647629359621 0.87103966274330 0.03354656991109 15.999 > 53 54 O 0.55647629359621 0.87103966274330 0.03354656991109 15.999 > 53 55 O 0.05647629359621 0.87103966274330 0.53354656991109 15.999 > 53 56 O 0.55647629359621 0.87103966274330 0.53354656991109 15.999 > 53 57 O 0.49344083190490 0.11709737069548 0.22533052055201 15.999 > 57 58 O 0.99344083190490 0.11709737069548 0.22533052055201 15.999 > 57 59 O 0.49344083190490 0.11709737069548 0.72533052055201 15.999 > 57 60 O 0.99344083190490 0.11709737069548 0.72533052055201 15.999 > 57 61 O 0.49344083190490 0.38290262930452 0.02466947944799 15.999 > 61 62 O 0.99344083190490 0.38290262930452 0.02466947944799 15.999 > 61 63 O 0.49344083190490 0.38290262930452 0.52466947944799 15.999 > 61 64 O 0.99344083190490 0.38290262930452 0.52466947944799 15.999 > 61 65 O 0.00655916809510 0.61709737069548 0.47533052055201 15.999 > 65 66 O 0.50655916809510 0.61709737069548 0.47533052055201 15.999 > 65 67 O 0.00655916809510 0.61709737069548 0.97533052055201 15.999 > 65 68 O 0.50655916809510 0.61709737069548 0.97533052055201 15.999 > 65 69 O 0.00655916809510 0.88290262930452 0.27466947944799 15.999 > 69 70 O 0.50655916809510 0.88290262930452 0.27466947944799 15.999 > 69 71 O 0.00655916809510 0.88290262930452 0.77466947944799 15.999 > 69 72 O 0.50655916809510 0.88290262930452 0.77466947944799 15.999 > 69 73 O 0.44352370640379 0.12896033725670 0.46645343008891 15.999 > 73 74 O 0.94352370640379 0.12896033725670 0.46645343008891 15.999 > 73 75 O 0.44352370640379 0.12896033725670 0.96645343008891 15.999 > 73 76 O 0.94352370640379 0.12896033725670 0.96645343008891 15.999 > 73 77 O 0.44352370640379 0.37103966274330 0.28354656991109 15.999 > 77 78 O 0.94352370640379 0.37103966274330 0.28354656991109 15.999 > 77 79 O 0.44352370640379 0.37103966274330 0.78354656991109 15.999 > 77 80 O 0.94352370640379 0.37103966274330 0.78354656991109 15.999 > 77 81 O 0.30647629359621 0.62896033725670 0.28354656991109 15.999 > 81 82 O 0.80647629359621 0.62896033725670 0.28354656991109 15.999 > 81 83 O 0.30647629359621 0.62896033725670 0.78354656991109 15.999 > 81 84 O 0.80647629359621 0.62896033725670 0.78354656991109 15.999 > 81 85 O 0.30647629359621 0.87103966274330 0.46645343008891 15.999 > 85 86 O 0.80647629359621 0.87103966274330 0.46645343008891 15.999 > 85 87 O 0.30647629359621 0.87103966274330 0.96645343008891 15.999 > 85 88 O 0.80647629359621 0.87103966274330 0.96645343008891 15.999 > 85 89 O 0.24344083190490 0.11709737069548 0.27466947944799 15.999 > 89 90 O 0.74344083190490 0.11709737069548 0.27466947944799 15.999 > 89 91 O 0.24344083190490 0.11709737069548 0.77466947944799 15.999 > 89 92 O 0.74344083190490 0.11709737069548 0.77466947944799 15.999 > 89 93 O 0.24344083190490 0.38290262930452 0.47533052055201 15.999 > 93 94 O 0.74344083190490 0.38290262930452 0.47533052055201 15.999 > 93 95 O 0.24344083190490 0.38290262930452 0.97533052055201 15.999 > 93 96 O 0.74344083190490 0.38290262930452 0.97533052055201 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5436779 0.0000000 0.0000000 0.0000000 7.4265200 0.0000000 0.0000000 0.0000000 6.7926416 -------------------------- Born effective charges -------------------------- 1 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 0.1479356 0.0000000 0.2629331 3.8232435 2 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 -0.1479356 0.0000000 -0.2629331 3.8232435 3 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 -0.1479356 0.0000000 -0.2629331 3.8232435 4 Pr 3.9768059 0.0000000 0.0000000 0.0000000 4.7695514 0.1479356 0.0000000 0.2629331 3.8232435 5 Bi 5.2822413 -0.2202601 0.0000000 0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 6 Bi 5.2822413 0.2202601 0.0000000 -0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 7 Bi 5.2822413 0.2202601 0.0000000 -0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 8 Bi 5.2822413 -0.2202601 0.0000000 0.2884034 4.5263030 0.0000000 0.0000000 0.0000000 4.6939590 9 O -2.6896132 -0.3216123 0.3270145 -0.2867764 -2.2582711 0.1068648 0.1996217 0.0496854 -1.9728839 10 O -2.6896132 0.3216123 -0.3270145 0.2867764 -2.2582711 0.1068648 -0.1996217 0.0496854 -1.9728839 11 O -1.9399105 -0.2908401 -0.3752419 -0.4998606 -2.3896561 0.4993122 -0.2237969 0.6378609 -2.2857173 12 O -1.9399105 0.2908401 0.3752419 0.4998606 -2.3896561 0.4993122 0.2237969 0.6378609 -2.2857173 13 O -1.9399105 0.2908401 -0.3752419 0.4998606 -2.3896561 -0.4993122 -0.2237969 -0.6378609 -2.2857173 14 O -1.9399105 -0.2908401 0.3752419 -0.4998606 -2.3896561 -0.4993122 0.2237969 -0.6378609 -2.2857173 15 O -2.6896132 0.3216123 0.3270145 0.2867764 -2.2582711 -0.1068648 0.1996217 -0.0496854 -1.9728839 16 O -2.6896132 -0.3216123 -0.3270145 -0.2867764 -2.2582711 -0.1068648 -0.1996217 -0.0496854 -1.9728839 17 O -2.6896132 -0.3216123 -0.3270145 -0.2867764 -2.2582711 -0.1068648 -0.1996217 -0.0496854 -1.9728839 18 O -2.6896132 0.3216123 0.3270145 0.2867764 -2.2582711 -0.1068648 0.1996217 -0.0496854 -1.9728839 19 O -1.9399105 -0.2908401 0.3752419 -0.4998606 -2.3896561 -0.4993122 0.2237969 -0.6378609 -2.2857173 20 O -1.9399105 0.2908401 -0.3752419 0.4998606 -2.3896561 -0.4993122 -0.2237969 -0.6378609 -2.2857173 21 O -1.9399105 0.2908401 0.3752419 0.4998606 -2.3896561 0.4993122 0.2237969 0.6378609 -2.2857173 22 O -1.9399105 -0.2908401 -0.3752419 -0.4998606 -2.3896561 0.4993122 -0.2237969 0.6378609 -2.2857173 23 O -2.6896132 0.3216123 -0.3270145 0.2867764 -2.2582711 0.1068648 -0.1996217 0.0496854 -1.9728839 24 O -2.6896132 -0.3216123 0.3270145 -0.2867764 -2.2582711 0.1068648 0.1996217 0.0496854 -1.9728839 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (xxx) 0.00000019 (xxx) 0.00000019 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 305, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 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 1.499 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.361 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.913 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 12.085 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 12.252 ( 0.000 0.000 0.000) 0.000 12.299 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.860 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 0.000) 0.000 15.124 ( 0.000 0.000 0.000) 0.000 15.528 ( 0.000 0.000 0.000) 0.000 16.002 ( 0.000 0.000 0.000) 0.000 16.258 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 16.426 ( 0.000 0.000 0.000) 0.000 16.560 ( 0.000 0.000 0.000) 0.000 16.610 ( 0.000 0.000 0.000) 0.000 16.950 ( 0.000 0.000 0.000) 0.000 17.170 ( 0.000 0.000 0.000) 0.000 17.625 ( 0.000 0.000 0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.670 ( 0.000 0.000 0.000) 0.000 17.947 ( 0.000 0.000 0.000) 0.000 18.564 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 22.764 0.000 0.000) 22.764 0.470 ( 23.665 0.000 0.000) 23.665 0.961 ( 46.581 0.000 0.000) 46.581 1.846 ( 29.666 0.000 0.000) 29.666 2.252 ( -8.590 0.000 0.000) 8.590 2.289 ( 8.599 0.000 0.000) 8.599 2.448 ( -4.036 0.000 0.000) 4.036 2.917 ( 4.955 0.000 0.000) 4.955 2.956 ( -1.867 0.000 0.000) 1.867 3.070 ( 7.578 0.000 0.000) 7.578 3.310 ( -12.274 0.000 0.000) 12.274 3.448 ( -3.726 0.000 0.000) 3.726 3.532 ( -11.679 0.000 0.000) 11.679 3.699 ( 1.767 0.000 0.000) 1.767 3.730 ( 2.958 0.000 0.000) 2.958 4.060 ( -5.022 0.000 0.000) 5.022 4.162 ( -5.858 0.000 0.000) 5.858 4.190 ( -1.834 0.000 0.000) 1.834 4.451 ( 12.411 0.000 0.000) 12.411 4.547 ( -3.348 0.000 0.000) 3.348 4.563 ( 7.431 0.000 0.000) 7.431 4.657 ( 15.770 0.000 0.000) 15.770 4.803 ( -4.221 0.000 0.000) 4.221 4.936 ( -0.780 0.000 0.000) 0.780 5.468 ( 1.979 0.000 0.000) 1.979 5.501 ( 0.290 0.000 0.000) 0.290 5.740 ( -4.740 0.000 0.000) 4.740 5.901 ( -2.506 0.000 0.000) 2.506 6.456 ( 6.232 0.000 0.000) 6.232 6.789 ( -2.684 0.000 0.000) 2.684 6.996 ( 1.571 0.000 0.000) 1.571 7.291 ( 13.990 0.000 0.000) 13.990 7.406 ( -5.809 0.000 0.000) 5.809 7.891 ( 4.531 0.000 0.000) 4.531 7.953 ( 6.971 0.000 0.000) 6.971 8.019 ( 16.405 0.000 0.000) 16.405 8.344 ( 12.262 0.000 0.000) 12.262 8.592 ( 1.603 0.000 0.000) 1.603 8.607 ( 0.765 0.000 0.000) 0.765 9.172 ( 9.320 0.000 0.000) 9.320 9.413 ( -1.498 0.000 0.000) 1.498 9.543 ( 3.544 0.000 0.000) 3.544 9.798 ( -3.853 0.000 0.000) 3.853 9.945 ( 3.629 0.000 0.000) 3.629 10.077 ( -3.206 0.000 0.000) 3.206 10.419 ( -4.835 0.000 0.000) 4.835 10.883 ( -3.071 0.000 0.000) 3.071 11.072 ( 5.795 0.000 0.000) 5.795 12.090 ( 0.551 0.000 0.000) 0.551 12.111 ( -2.557 0.000 0.000) 2.557 12.176 ( -5.667 0.000 0.000) 5.667 12.288 ( -1.297 0.000 0.000) 1.297 12.355 ( 1.439 0.000 0.000) 1.439 12.711 ( 4.800 0.000 0.000) 4.800 13.338 ( -12.758 0.000 0.000) 12.758 13.931 ( 7.053 0.000 0.000) 7.053 14.099 ( -7.653 0.000 0.000) 7.653 15.502 ( -2.721 0.000 0.000) 2.721 16.070 ( 6.407 0.000 0.000) 6.407 16.267 ( 0.846 0.000 0.000) 0.846 16.313 ( -1.410 0.000 0.000) 1.410 16.406 ( -1.930 0.000 0.000) 1.930 16.560 ( -0.062 0.000 0.000) 0.062 16.615 ( 0.770 0.000 0.000) 0.770 16.654 ( 4.178 0.000 0.000) 4.178 17.023 ( 6.903 0.000 0.000) 6.903 17.205 ( 3.475 0.000 0.000) 3.475 17.603 ( -2.595 0.000 0.000) 2.595 17.616 ( -1.150 0.000 0.000) 1.150 17.649 ( -1.912 0.000 0.000) 1.912 17.927 ( -1.949 0.000 0.000) 1.949 18.499 ( -6.368 0.000 0.000) 6.368 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 20.494 0.000 0.000) 20.494 0.934 ( 22.943 0.000 0.000) 22.943 1.797 ( 36.105 0.000 0.000) 36.105 2.074 ( -8.534 0.000 0.000) 8.534 2.363 ( -3.728 0.000 0.000) 3.728 2.482 ( 31.218 0.000 0.000) 31.218 2.507 ( 12.051 0.000 0.000) 12.051 2.905 ( -3.110 0.000 0.000) 3.110 2.986 ( 1.075 0.000 0.000) 1.075 3.030 ( -14.439 0.000 0.000) 14.439 3.233 ( 8.125 0.000 0.000) 8.125 3.276 ( -12.002 0.000 0.000) 12.002 3.314 ( -9.367 0.000 0.000) 9.367 3.773 ( 5.238 0.000 0.000) 5.238 3.815 ( 5.313 0.000 0.000) 5.313 3.997 ( -1.366 0.000 0.000) 1.366 4.080 ( -1.918 0.000 0.000) 1.918 4.128 ( -4.641 0.000 0.000) 4.641 4.483 ( -2.011 0.000 0.000) 2.011 4.678 ( 10.066 0.000 0.000) 10.066 4.702 ( -5.642 0.000 0.000) 5.642 4.738 ( 9.206 0.000 0.000) 9.206 4.895 ( -3.888 0.000 0.000) 3.888 4.985 ( 16.157 0.000 0.000) 16.157 5.515 ( 1.830 0.000 0.000) 1.830 5.522 ( 1.880 0.000 0.000) 1.880 5.590 ( -9.808 0.000 0.000) 9.808 5.836 ( -3.788 0.000 0.000) 3.788 6.605 ( 8.025 0.000 0.000) 8.025 6.768 ( 0.853 0.000 0.000) 0.853 7.016 ( 0.148 0.000 0.000) 0.148 7.252 ( -9.104 0.000 0.000) 9.104 7.665 ( 22.669 0.000 0.000) 22.669 8.051 ( 10.805 0.000 0.000) 10.805 8.150 ( 12.929 0.000 0.000) 12.929 8.373 ( 17.674 0.000 0.000) 17.674 8.624 ( 0.785 0.000 0.000) 0.785 8.643 ( 3.633 0.000 0.000) 3.633 8.658 ( 18.291 0.000 0.000) 18.291 9.362 ( -3.852 0.000 0.000) 3.852 9.411 ( 14.053 0.000 0.000) 14.053 9.566 ( -2.540 0.000 0.000) 2.540 9.674 ( -8.821 0.000 0.000) 8.821 9.984 ( -6.154 0.000 0.000) 6.154 10.156 ( 18.931 0.000 0.000) 18.931 10.272 ( -10.044 0.000 0.000) 10.044 10.787 ( -6.643 0.000 0.000) 6.643 11.245 ( 11.570 0.000 0.000) 11.570 12.042 ( -4.164 0.000 0.000) 4.164 12.054 ( -6.344 0.000 0.000) 6.344 12.109 ( 1.446 0.000 0.000) 1.446 12.232 ( -4.855 0.000 0.000) 4.855 12.353 ( -1.906 0.000 0.000) 1.906 12.848 ( 8.826 0.000 0.000) 8.826 13.010 ( -19.020 0.000 0.000) 19.020 13.908 ( -10.780 0.000 0.000) 10.780 14.132 ( 12.950 0.000 0.000) 12.950 15.418 ( -5.765 0.000 0.000) 5.765 16.229 ( 8.899 0.000 0.000) 8.899 16.279 ( -1.817 0.000 0.000) 1.817 16.293 ( 1.813 0.000 0.000) 1.813 16.355 ( -3.060 0.000 0.000) 3.060 16.553 ( -0.780 0.000 0.000) 0.780 16.633 ( 0.878 0.000 0.000) 0.878 16.766 ( 6.974 0.000 0.000) 6.974 17.194 ( 9.420 0.000 0.000) 9.420 17.307 ( 6.848 0.000 0.000) 6.848 17.544 ( -2.894 0.000 0.000) 2.894 17.558 ( -4.717 0.000 0.000) 4.717 17.614 ( -1.556 0.000 0.000) 1.556 17.871 ( -3.749 0.000 0.000) 3.749 18.330 ( -10.212 0.000 0.000) 10.212 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 16.043 0.000 0.000) 16.043 1.364 ( 19.462 0.000 0.000) 19.462 1.943 ( -3.712 0.000 0.000) 3.712 2.329 ( 0.816 0.000 0.000) 0.816 2.345 ( 19.196 0.000 0.000) 19.196 2.631 ( -6.344 0.000 0.000) 6.344 2.806 ( -5.668 0.000 0.000) 5.668 2.818 ( -3.436 0.000 0.000) 3.436 2.836 ( -3.825 0.000 0.000) 3.825 2.949 ( -4.407 0.000 0.000) 4.407 3.164 ( -1.572 0.000 0.000) 1.572 3.341 ( 25.846 0.000 0.000) 25.846 3.371 ( 5.289 0.000 0.000) 5.289 3.860 ( 1.973 0.000 0.000) 1.973 3.924 ( 5.183 0.000 0.000) 5.183 4.001 ( 1.392 0.000 0.000) 1.392 4.007 ( -7.115 0.000 0.000) 7.115 4.108 ( 5.341 0.000 0.000) 5.341 4.502 ( 4.681 0.000 0.000) 4.681 4.581 ( -6.709 0.000 0.000) 6.709 4.754 ( -10.884 0.000 0.000) 10.884 4.843 ( 6.539 0.000 0.000) 6.539 4.897 ( 6.095 0.000 0.000) 6.095 5.274 ( 12.592 0.000 0.000) 12.592 5.316 ( -15.589 0.000 0.000) 15.589 5.571 ( 1.532 0.000 0.000) 1.532 5.571 ( 2.909 0.000 0.000) 2.909 5.759 ( -3.765 0.000 0.000) 3.765 6.755 ( 6.805 0.000 0.000) 6.805 6.811 ( 2.934 0.000 0.000) 2.934 7.000 ( -1.728 0.000 0.000) 1.728 7.073 ( -8.279 0.000 0.000) 8.279 8.148 ( 24.987 0.000 0.000) 24.987 8.279 ( 11.349 0.000 0.000) 11.349 8.452 ( 16.776 0.000 0.000) 16.776 8.629 ( -0.538 0.000 0.000) 0.538 8.705 ( 16.075 0.000 0.000) 16.075 8.737 ( 5.722 0.000 0.000) 5.722 9.028 ( 18.207 0.000 0.000) 18.207 9.251 ( -7.522 0.000 0.000) 7.522 9.445 ( -14.202 0.000 0.000) 14.202 9.464 ( -6.408 0.000 0.000) 6.408 9.711 ( 16.082 0.000 0.000) 16.082 9.834 ( -8.986 0.000 0.000) 8.986 10.018 ( -15.550 0.000 0.000) 15.550 10.615 ( -10.793 0.000 0.000) 10.793 10.648 ( 28.496 0.000 0.000) 28.496 11.516 ( 15.117 0.000 0.000) 15.117 11.939 ( -4.849 0.000 0.000) 4.849 11.957 ( -4.061 0.000 0.000) 4.061 12.069 ( -12.406 0.000 0.000) 12.406 12.152 ( 2.927 0.000 0.000) 2.927 12.272 ( -6.476 0.000 0.000) 6.476 12.639 ( -16.933 0.000 0.000) 16.933 13.049 ( 11.075 0.000 0.000) 11.075 13.694 ( -10.566 0.000 0.000) 10.566 14.427 ( 16.235 0.000 0.000) 16.235 15.269 ( -9.345 0.000 0.000) 9.345 16.246 ( -1.391 0.000 0.000) 1.391 16.293 ( -2.939 0.000 0.000) 2.939 16.339 ( 2.836 0.000 0.000) 2.836 16.400 ( 7.993 0.000 0.000) 7.993 16.526 ( -1.975 0.000 0.000) 1.975 16.642 ( -0.192 0.000 0.000) 0.192 16.923 ( 8.633 0.000 0.000) 8.633 17.369 ( 8.114 0.000 0.000) 8.114 17.439 ( -7.132 0.000 0.000) 7.132 17.476 ( 9.871 0.000 0.000) 9.871 17.503 ( -1.092 0.000 0.000) 1.092 17.579 ( -2.049 0.000 0.000) 2.049 17.780 ( -5.310 0.000 0.000) 5.310 18.113 ( -11.268 0.000 0.000) 11.268 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 9.178 0.000 0.000) 9.178 1.602 ( 1.885 0.000 0.000) 1.885 2.017 ( 13.186 0.000 0.000) 13.186 2.352 ( -17.598 0.000 0.000) 17.598 2.404 ( 6.709 0.000 0.000) 6.709 2.565 ( -3.912 0.000 0.000) 3.912 2.642 ( 1.628 0.000 0.000) 1.628 2.750 ( -4.976 0.000 0.000) 4.976 2.786 ( 0.055 0.000 0.000) 0.055 2.844 ( -5.165 0.000 0.000) 5.165 3.283 ( 9.417 0.000 0.000) 9.417 3.413 ( -2.094 0.000 0.000) 2.094 3.857 ( -0.895 0.000 0.000) 0.895 3.881 ( -4.304 0.000 0.000) 4.304 3.931 ( 27.703 0.000 0.000) 27.703 4.004 ( 2.604 0.000 0.000) 2.604 4.031 ( 2.252 0.000 0.000) 2.252 4.263 ( 8.879 0.000 0.000) 8.879 4.434 ( -8.107 0.000 0.000) 8.107 4.443 ( -20.683 0.000 0.000) 20.683 4.680 ( 12.953 0.000 0.000) 12.953 4.941 ( 3.337 0.000 0.000) 3.337 4.968 ( 0.903 0.000 0.000) 0.903 4.986 ( -16.935 0.000 0.000) 16.935 5.474 ( 7.451 0.000 0.000) 7.451 5.569 ( -2.196 0.000 0.000) 2.196 5.630 ( 2.919 0.000 0.000) 2.919 5.690 ( -3.233 0.000 0.000) 3.233 6.870 ( 2.990 0.000 0.000) 2.990 6.870 ( 4.890 0.000 0.000) 4.890 6.942 ( -4.791 0.000 0.000) 4.791 6.951 ( -3.242 0.000 0.000) 3.242 8.476 ( 8.039 0.000 0.000) 8.039 8.591 ( -3.627 0.000 0.000) 3.627 8.617 ( 21.195 0.000 0.000) 21.195 8.782 ( 15.726 0.000 0.000) 15.726 8.840 ( 2.046 0.000 0.000) 2.046 8.975 ( 8.205 0.000 0.000) 8.205 9.058 ( -11.938 0.000 0.000) 11.938 9.136 ( -14.900 0.000 0.000) 14.900 9.359 ( 15.021 0.000 0.000) 15.021 9.404 ( 4.570 0.000 0.000) 4.570 9.626 ( -11.960 0.000 0.000) 11.960 9.673 ( -18.174 0.000 0.000) 18.174 10.042 ( 16.875 0.000 0.000) 16.875 10.360 ( -14.761 0.000 0.000) 14.761 11.218 ( 27.900 0.000 0.000) 27.900 11.722 ( -22.184 0.000 0.000) 22.184 11.809 ( 12.157 0.000 0.000) 12.157 11.873 ( -1.654 0.000 0.000) 1.654 11.904 ( 0.612 0.000 0.000) 0.612 12.095 ( -11.156 0.000 0.000) 11.156 12.231 ( 5.315 0.000 0.000) 5.315 12.375 ( -9.731 0.000 0.000) 9.731 13.273 ( 11.198 0.000 0.000) 11.198 13.487 ( -10.449 0.000 0.000) 10.449 14.753 ( 16.053 0.000 0.000) 16.053 15.046 ( -13.182 0.000 0.000) 13.182 16.230 ( -0.085 0.000 0.000) 0.085 16.246 ( -1.659 0.000 0.000) 1.659 16.403 ( 3.478 0.000 0.000) 3.478 16.470 ( -3.001 0.000 0.000) 3.001 16.539 ( 5.295 0.000 0.000) 5.295 16.617 ( -2.506 0.000 0.000) 2.506 17.102 ( 9.214 0.000 0.000) 9.214 17.281 ( -8.678 0.000 0.000) 8.678 17.503 ( 1.014 0.000 0.000) 1.014 17.522 ( 7.424 0.000 0.000) 7.424 17.536 ( -2.114 0.000 0.000) 2.114 17.662 ( -6.577 0.000 0.000) 6.577 17.680 ( 10.491 0.000 0.000) 10.491 17.892 ( -10.906 0.000 0.000) 10.906 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 19.112 0.000) 19.112 0.485 ( 0.000 26.253 0.000) 26.253 0.978 ( 0.000 46.576 0.000) 46.576 1.394 ( 0.000 -5.669 0.000) 5.669 1.889 ( 0.000 -23.116 0.000) 23.116 2.462 ( 0.000 9.808 0.000) 9.808 2.750 ( 0.000 17.189 0.000) 17.189 2.831 ( 0.000 -2.697 0.000) 2.697 3.022 ( 0.000 4.882 0.000) 4.882 3.334 ( 0.000 -0.760 0.000) 0.760 3.374 ( 0.000 5.326 0.000) 5.326 3.424 ( 0.000 -4.959 0.000) 4.959 3.434 ( 0.000 -2.098 0.000) 2.098 3.694 ( 0.000 0.381 0.000) 0.381 3.713 ( 0.000 0.939 0.000) 0.939 3.742 ( 0.000 -30.438 0.000) 30.438 4.162 ( 0.000 -7.141 0.000) 7.141 4.234 ( 0.000 -6.234 0.000) 6.234 4.259 ( 0.000 -1.824 0.000) 1.824 4.282 ( 0.000 -8.057 0.000) 8.057 4.631 ( 0.000 8.379 0.000) 8.379 4.662 ( 0.000 7.871 0.000) 7.871 4.785 ( 0.000 8.904 0.000) 8.904 4.936 ( 0.000 -0.491 0.000) 0.491 4.956 ( 0.000 1.893 0.000) 1.893 5.603 ( 0.000 14.651 0.000) 14.651 5.686 ( 0.000 -19.546 0.000) 19.546 6.376 ( 0.000 -7.692 0.000) 7.692 6.612 ( 0.000 17.645 0.000) 17.645 6.862 ( 0.000 3.010 0.000) 3.010 6.971 ( 0.000 -0.568 0.000) 0.568 7.178 ( 0.000 3.443 0.000) 3.443 7.401 ( 0.000 -6.891 0.000) 6.891 7.658 ( 0.000 -10.813 0.000) 10.813 7.995 ( 0.000 6.583 0.000) 6.583 8.179 ( 0.000 -0.831 0.000) 0.831 8.574 ( 0.000 -0.230 0.000) 0.230 8.592 ( 0.000 -0.606 0.000) 0.606 8.967 ( 0.000 0.995 0.000) 0.995 9.059 ( 0.000 -1.444 0.000) 1.444 9.380 ( 0.000 1.880 0.000) 1.880 9.464 ( 0.000 3.840 0.000) 3.840 9.490 ( 0.000 -1.039 0.000) 1.039 9.783 ( 0.000 -4.901 0.000) 4.901 10.158 ( 0.000 4.591 0.000) 4.591 10.432 ( 0.000 -3.404 0.000) 3.404 10.764 ( 0.000 2.864 0.000) 2.864 10.993 ( 0.000 -2.821 0.000) 2.821 11.010 ( 0.000 10.018 0.000) 10.018 11.963 ( 0.000 -19.143 0.000) 19.143 12.090 ( 0.000 0.529 0.000) 0.529 12.132 ( 0.000 -0.521 0.000) 0.521 12.345 ( 0.000 2.410 0.000) 2.410 12.443 ( 0.000 4.359 0.000) 4.359 13.563 ( 0.000 9.219 0.000) 9.219 14.129 ( 0.000 -5.439 0.000) 5.439 15.104 ( 0.000 0.160 0.000) 0.160 15.122 ( 0.000 -0.281 0.000) 0.281 15.559 ( 0.000 3.313 0.000) 3.313 15.924 ( 0.000 -7.110 0.000) 7.110 16.266 ( 0.000 0.832 0.000) 0.832 16.323 ( 0.000 -0.571 0.000) 0.571 16.492 ( 0.000 5.935 0.000) 5.935 16.591 ( 0.000 3.130 0.000) 3.130 16.924 ( 0.000 -2.509 0.000) 2.509 17.104 ( 0.000 -6.450 0.000) 6.450 17.646 ( 0.000 1.579 0.000) 1.579 17.646 ( 0.000 2.024 0.000) 2.024 17.688 ( 0.000 1.446 0.000) 1.446 17.867 ( 0.000 -5.896 0.000) 5.896 18.187 ( 0.000 7.427 0.000) 7.427 18.534 ( 0.000 -3.174 0.000) 3.174 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.11 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 15.979 19.368 0.000) 25.108 0.739 ( 21.543 15.333 0.000) 26.442 1.262 ( 27.847 29.258 0.000) 40.391 1.678 ( 22.370 -10.072 0.000) 24.533 1.956 ( 6.141 -22.640 0.000) 23.458 2.421 ( -0.987 13.716 0.000) 13.752 2.715 ( -2.806 15.231 0.000) 15.487 2.880 ( 3.235 -4.903 0.000) 5.874 2.998 ( -2.256 4.239 0.000) 4.802 3.239 ( 3.746 12.694 0.000) 13.235 3.281 ( -9.805 -2.626 0.000) 10.151 3.445 ( -4.198 -0.526 0.000) 4.231 3.492 ( -3.173 -3.654 0.000) 4.839 3.679 ( -0.387 -1.456 0.000) 1.506 3.735 ( 3.079 -0.866 0.000) 3.198 3.763 ( 0.438 -23.226 0.000) 23.230 4.135 ( -2.317 -7.165 0.000) 7.530 4.141 ( -3.295 -0.616 0.000) 3.352 4.353 ( 8.635 -11.594 0.000) 14.457 4.500 ( 12.129 -6.212 0.000) 13.627 4.620 ( -2.650 7.519 0.000) 7.973 4.738 ( 9.026 7.754 0.000) 11.899 4.870 ( 0.410 5.517 0.000) 5.532 4.936 ( 0.068 -0.201 0.000) 0.212 5.094 ( 12.255 -9.514 0.000) 15.514 5.598 ( -0.466 11.834 0.000) 11.843 5.684 ( -0.468 -18.590 0.000) 18.596 6.116 ( -17.146 7.123 0.000) 18.567 6.647 ( 3.418 15.803 0.000) 16.168 6.816 ( -2.787 3.439 0.000) 4.426 7.010 ( 2.015 -0.033 0.000) 2.015 7.318 ( 13.949 3.343 0.000) 14.344 7.352 ( -4.811 -5.820 0.000) 7.551 7.775 ( 10.173 -10.576 0.000) 14.675 8.103 ( 8.058 8.621 0.000) 11.800 8.213 ( -0.541 12.260 0.000) 12.272 8.393 ( 3.980 9.784 0.000) 10.562 8.588 ( 1.457 -0.380 0.000) 1.506 8.601 ( 0.805 -0.576 0.000) 0.990 9.104 ( 4.141 -6.805 0.000) 7.966 9.446 ( -1.833 3.501 0.000) 3.952 9.581 ( 8.445 3.708 0.000) 9.223 9.748 ( -3.670 -4.756 0.000) 6.008 9.891 ( 9.908 -5.363 0.000) 11.266 10.124 ( -3.444 4.406 0.000) 5.592 10.387 ( -4.602 -3.198 0.000) 5.604 10.980 ( -3.073 10.042 0.000) 10.502 11.068 ( 8.045 -0.232 0.000) 8.048 11.711 ( 50.863 -48.411 0.000) 70.219 11.934 ( -2.960 -18.674 0.000) 18.908 12.093 ( 0.443 0.072 0.000) 0.448 12.110 ( -2.024 -0.322 0.000) 2.050 12.318 ( -2.606 2.536 0.000) 3.636 12.439 ( -0.702 3.132 0.000) 3.210 13.438 ( -11.865 10.016 0.000) 15.527 14.044 ( -8.089 -5.909 0.000) 10.017 14.567 ( -15.327 30.368 0.000) 34.017 15.539 ( -2.099 4.012 0.000) 4.528 15.678 ( 18.402 -30.494 0.000) 35.616 15.970 ( 4.003 -8.705 0.000) 9.581 16.286 ( 1.882 1.038 0.000) 2.149 16.364 ( 4.105 -1.119 0.000) 4.255 16.491 ( 0.103 7.144 0.000) 7.145 16.591 ( -0.037 3.139 0.000) 3.139 16.993 ( 6.614 -2.845 0.000) 7.200 17.137 ( 3.198 -6.549 0.000) 7.288 17.527 ( -23.088 20.921 0.000) 31.157 17.623 ( -4.858 3.103 0.000) 5.764 17.638 ( -0.899 2.073 0.000) 2.259 17.671 ( -1.642 1.754 0.000) 2.403 17.982 ( -4.982 8.385 0.000) 9.753 18.465 ( -6.651 -3.682 0.000) 7.602 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.22 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 18.107 13.296 0.000) 22.465 1.123 ( 18.752 15.608 0.000) 24.398 1.833 ( 19.515 -2.502 0.000) 19.675 2.009 ( 13.357 2.940 0.000) 13.677 2.090 ( 6.334 -19.399 0.000) 20.407 2.585 ( 16.611 10.407 0.000) 19.602 2.680 ( -0.042 9.020 0.000) 9.021 2.914 ( 1.210 -7.859 0.000) 7.951 2.937 ( -4.400 1.412 0.000) 4.621 3.060 ( -10.552 4.483 0.000) 11.465 3.306 ( -9.083 -0.733 0.000) 9.112 3.310 ( -1.990 6.456 0.000) 6.756 3.441 ( 3.815 16.188 0.000) 16.631 3.685 ( 1.834 -5.131 0.000) 5.449 3.768 ( 0.951 -19.369 0.000) 19.393 3.817 ( 3.735 -3.565 0.000) 5.163 4.073 ( -3.975 -7.893 0.000) 8.838 4.143 ( 3.390 6.866 0.000) 7.658 4.496 ( 4.910 -13.128 0.000) 14.016 4.569 ( -1.375 8.739 0.000) 8.847 4.718 ( 8.976 -4.778 0.000) 10.168 4.869 ( 0.690 9.550 0.000) 9.575 4.881 ( 0.029 2.711 0.000) 2.711 5.009 ( 11.175 0.942 0.000) 11.214 5.267 ( 5.060 -9.707 0.000) 10.947 5.588 ( -0.535 5.690 0.000) 5.715 5.661 ( -1.800 -16.195 0.000) 16.294 5.811 ( -13.849 7.612 0.000) 15.803 6.735 ( 5.071 11.530 0.000) 12.596 6.792 ( 0.623 3.367 0.000) 3.424 7.035 ( 0.452 0.619 0.000) 0.766 7.224 ( -7.638 -3.187 0.000) 8.276 7.689 ( 22.322 2.676 0.000) 22.482 8.031 ( 15.387 -6.633 0.000) 16.756 8.193 ( 6.848 10.009 0.000) 12.128 8.434 ( 15.268 4.489 0.000) 15.914 8.619 ( 0.971 -0.443 0.000) 1.068 8.636 ( 3.328 -0.736 0.000) 3.408 8.668 ( 17.933 1.402 0.000) 17.988 9.213 ( 5.895 -14.130 0.000) 15.310 9.386 ( -4.411 2.585 0.000) 5.112 9.631 ( -8.245 -4.104 0.000) 9.210 9.736 ( 6.326 11.107 0.000) 12.782 10.022 ( -6.809 3.668 0.000) 7.734 10.131 ( 17.601 -2.746 0.000) 17.814 10.246 ( -9.670 -2.643 0.000) 10.024 10.885 ( -6.537 10.192 0.000) 12.108 11.299 ( 14.871 6.014 0.000) 16.041 11.847 ( -5.705 -18.019 0.000) 18.900 12.042 ( -3.509 -0.485 0.000) 3.543 12.103 ( 1.232 -0.669 0.000) 1.402 12.240 ( -5.442 2.130 0.000) 5.844 12.401 ( -3.402 1.019 0.000) 3.551 12.428 ( 24.628 -32.687 0.000) 40.926 13.137 ( -17.259 12.371 0.000) 21.235 13.842 ( -11.429 -7.016 0.000) 13.411 14.472 ( 3.518 26.658 0.000) 26.889 15.471 ( -4.881 5.585 0.000) 7.418 15.894 ( 5.699 -28.469 0.000) 29.034 16.048 ( 2.980 -12.538 0.000) 12.887 16.333 ( 2.625 1.867 0.000) 3.221 16.476 ( 6.528 -3.410 0.000) 7.365 16.507 ( 1.655 9.317 0.000) 9.463 16.587 ( -0.460 3.479 0.000) 3.510 17.158 ( 9.168 -3.450 0.000) 9.795 17.205 ( -9.058 22.131 0.000) 23.913 17.225 ( 5.445 -7.096 0.000) 8.944 17.546 ( -3.626 0.018 0.000) 3.626 17.602 ( -2.712 3.303 0.000) 4.273 17.636 ( -1.624 1.907 0.000) 2.504 17.901 ( -4.241 3.838 0.000) 5.720 18.293 ( -10.138 -3.998 0.000) 10.898 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.33 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 14.941 10.209 0.000) 18.096 1.486 ( 16.850 11.208 0.000) 20.237 1.929 ( 0.799 -2.099 0.000) 2.246 2.192 ( 4.417 -12.901 0.000) 13.636 2.361 ( 14.666 2.309 0.000) 14.847 2.655 ( -6.893 2.398 0.000) 7.298 2.674 ( -7.020 -7.433 0.000) 10.224 2.812 ( -4.106 -0.039 0.000) 4.106 2.920 ( -6.337 6.345 0.000) 8.968 3.077 ( 3.621 6.593 0.000) 7.522 3.176 ( -0.101 0.874 0.000) 0.880 3.280 ( 7.426 2.169 0.000) 7.736 3.614 ( 13.016 17.130 0.000) 21.514 3.755 ( 4.671 -8.603 0.000) 9.790 3.812 ( 3.401 -13.445 0.000) 13.869 3.860 ( 0.575 -3.218 0.000) 3.268 3.979 ( -5.069 -7.268 0.000) 8.860 4.249 ( 6.260 9.607 0.000) 11.466 4.537 ( -0.630 -6.198 0.000) 6.230 4.595 ( 4.472 9.513 0.000) 10.512 4.744 ( -7.576 -1.963 0.000) 7.826 4.902 ( 2.310 6.515 0.000) 6.912 4.913 ( 4.825 2.462 0.000) 5.417 5.246 ( 11.093 -2.801 0.000) 11.441 5.282 ( -5.338 -3.269 0.000) 6.259 5.546 ( -4.438 0.273 0.000) 4.446 5.610 ( -3.893 0.596 0.000) 3.938 5.617 ( -2.470 -13.691 0.000) 13.912 6.830 ( 2.742 2.789 0.000) 3.911 6.836 ( 4.819 7.307 0.000) 8.754 7.027 ( -1.179 1.501 0.000) 1.908 7.072 ( -7.019 -0.230 0.000) 7.023 8.162 ( 24.414 1.692 0.000) 24.472 8.328 ( 11.701 3.610 0.000) 12.246 8.413 ( 16.394 -1.773 0.000) 16.490 8.630 ( -0.099 0.222 0.000) 0.243 8.721 ( 5.085 -1.705 0.000) 5.363 8.726 ( 13.840 0.968 0.000) 13.874 9.031 ( 17.705 0.239 0.000) 17.707 9.263 ( -8.174 1.337 0.000) 8.283 9.288 ( 1.501 -12.383 0.000) 12.474 9.416 ( -13.447 -2.788 0.000) 13.733 9.856 ( -9.946 2.161 0.000) 10.178 9.896 ( 11.200 13.735 0.000) 17.723 10.000 ( -15.061 -1.782 0.000) 15.166 10.567 ( 24.665 -8.028 0.000) 25.938 10.717 ( -10.496 10.592 0.000) 14.911 11.629 ( 17.409 11.283 0.000) 20.746 11.705 ( -9.029 -19.056 0.000) 21.087 11.969 ( -3.384 1.124 0.000) 3.566 12.101 ( -8.114 2.879 0.000) 8.610 12.146 ( 3.411 -0.403 0.000) 3.435 12.302 ( -6.394 -0.350 0.000) 6.404 12.795 ( -16.538 14.937 0.000) 22.285 12.828 ( 17.125 -20.325 0.000) 26.578 13.613 ( -11.429 -8.473 0.000) 14.228 14.636 ( 11.708 19.484 0.000) 22.731 15.342 ( -8.204 7.591 0.000) 11.177 15.967 ( 2.442 -23.061 0.000) 23.190 16.073 ( -0.349 -15.043 0.000) 15.047 16.387 ( 2.885 3.053 0.000) 4.200 16.540 ( 0.038 5.463 0.000) 5.463 16.586 ( 1.656 7.025 0.000) 7.217 16.594 ( 4.805 -3.224 0.000) 5.786 17.120 ( -0.293 14.333 0.000) 14.336 17.309 ( 3.356 -6.011 0.000) 6.884 17.340 ( 6.483 -4.757 0.000) 8.041 17.490 ( -1.772 -1.430 0.000) 2.277 17.569 ( 1.318 4.598 0.000) 4.783 17.605 ( -1.412 2.178 0.000) 2.596 17.805 ( -5.431 2.756 0.000) 6.090 18.082 ( -10.790 -3.322 0.000) 11.290 ======================= Grid point 13 (10/75) ======================= q-point: ( 0.44 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 8.833 8.769 0.000) 12.446 1.687 ( 1.194 8.427 0.000) 8.511 2.051 ( 13.107 2.435 0.000) 13.332 2.271 ( 0.348 -9.142 0.000) 9.149 2.431 ( -9.524 4.077 0.000) 10.360 2.498 ( -8.849 -6.038 0.000) 10.713 2.569 ( 7.562 -3.979 0.000) 8.545 2.712 ( -7.333 -3.261 0.000) 8.025 2.877 ( 3.228 7.869 0.000) 8.505 2.985 ( -6.801 10.838 0.000) 12.795 3.289 ( 8.240 -0.093 0.000) 8.240 3.400 ( -0.749 -1.015 0.000) 1.262 3.816 ( 2.063 -5.993 0.000) 6.338 3.837 ( 1.488 -9.542 0.000) 9.658 3.854 ( 0.802 -2.857 0.000) 2.967 3.897 ( -2.021 -9.728 0.000) 9.936 4.048 ( 21.647 9.462 0.000) 23.625 4.354 ( 1.814 5.385 0.000) 5.682 4.486 ( -3.906 2.647 0.000) 4.718 4.493 ( -13.609 4.681 0.000) 14.392 4.772 ( 11.508 9.045 0.000) 14.637 4.941 ( 0.379 1.826 0.000) 1.865 4.976 ( 1.256 1.379 0.000) 1.866 5.064 ( -12.822 6.385 0.000) 14.323 5.430 ( 7.268 -4.619 0.000) 8.611 5.516 ( -0.314 -6.249 0.000) 6.257 5.557 ( -2.299 -6.028 0.000) 6.451 5.570 ( -2.136 -11.614 0.000) 11.809 6.888 ( 2.934 2.397 0.000) 3.789 6.920 ( 3.173 4.259 0.000) 5.312 6.962 ( -3.658 1.907 0.000) 4.125 6.990 ( -2.571 2.729 0.000) 3.749 8.505 ( 7.237 3.283 0.000) 7.947 8.603 ( -2.878 1.526 0.000) 3.258 8.625 ( 20.262 0.770 0.000) 20.276 8.760 ( 16.890 -1.918 0.000) 16.998 8.814 ( 2.484 -2.874 0.000) 3.799 8.936 ( 5.558 -4.596 0.000) 7.212 9.057 ( -12.732 -0.106 0.000) 12.733 9.113 ( -15.758 -2.044 0.000) 15.889 9.355 ( 14.959 -0.438 0.000) 14.966 9.363 ( 9.716 -2.864 0.000) 10.129 9.630 ( -12.731 0.391 0.000) 12.737 9.665 ( -17.899 -0.734 0.000) 17.914 10.170 ( 15.421 12.354 0.000) 19.760 10.470 ( -14.175 11.280 0.000) 18.116 11.054 ( 23.397 -14.536 0.000) 27.545 11.458 ( -16.573 -19.317 0.000) 25.452 11.924 ( -0.645 3.012 0.000) 3.080 11.947 ( 13.551 9.065 0.000) 16.304 11.961 ( -4.790 4.339 0.000) 6.463 12.156 ( -8.356 1.542 0.000) 8.498 12.259 ( 8.601 4.606 0.000) 9.757 12.491 ( -14.062 13.408 0.000) 19.430 13.133 ( 13.837 -13.891 0.000) 19.607 13.385 ( -11.821 -10.513 0.000) 15.820 14.894 ( 13.461 14.083 0.000) 19.482 15.146 ( -11.526 10.272 0.000) 15.439 16.009 ( 1.993 -19.025 0.000) 19.129 16.048 ( -1.828 -16.450 0.000) 16.552 16.447 ( 3.078 3.625 0.000) 4.755 16.505 ( -2.665 3.613 0.000) 4.490 16.636 ( 2.183 5.446 0.000) 5.867 16.651 ( 0.920 0.759 0.000) 1.193 17.169 ( 4.586 6.557 0.000) 8.001 17.272 ( -4.967 -0.271 0.000) 4.974 17.451 ( 3.430 -4.266 0.000) 5.474 17.474 ( -0.156 -2.797 0.000) 2.801 17.600 ( 2.023 3.400 0.000) 3.957 17.683 ( 8.639 0.138 0.000) 8.640 17.690 ( -5.864 2.688 0.000) 6.451 17.873 ( -10.190 -2.062 0.000) 10.396 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 18.817 0.000) 18.817 0.967 ( 0.000 25.955 0.000) 25.955 1.035 ( 0.000 -16.535 0.000) 16.535 1.439 ( 0.000 -25.211 0.000) 25.211 2.002 ( 0.000 47.731 0.000) 47.731 2.666 ( 0.000 11.750 0.000) 11.750 2.692 ( 0.000 -17.724 0.000) 17.724 2.992 ( 0.000 -30.650 0.000) 30.650 3.028 ( 0.000 12.097 0.000) 12.097 3.123 ( 0.000 3.630 0.000) 3.630 3.320 ( 0.000 -4.417 0.000) 4.417 3.358 ( 0.000 -5.649 0.000) 5.649 3.473 ( 0.000 3.696 0.000) 3.696 3.478 ( 0.000 1.210 0.000) 1.210 3.713 ( 0.000 1.329 0.000) 1.329 3.725 ( 0.000 0.152 0.000) 0.152 4.045 ( 0.000 -3.298 0.000) 3.298 4.089 ( 0.000 -7.176 0.000) 7.176 4.184 ( 0.000 -2.031 0.000) 2.031 4.203 ( 0.000 -3.255 0.000) 3.255 4.762 ( 0.000 5.593 0.000) 5.593 4.813 ( 0.000 2.542 0.000) 2.542 4.918 ( 0.000 5.136 0.000) 5.136 4.971 ( 0.000 -0.744 0.000) 0.744 4.988 ( 0.000 11.228 0.000) 11.228 5.309 ( 0.000 -20.330 0.000) 20.330 5.904 ( 0.000 16.477 0.000) 16.477 6.181 ( 0.000 -13.174 0.000) 13.174 6.918 ( 0.000 2.650 0.000) 2.650 6.939 ( 0.000 16.953 0.000) 16.953 6.954 ( 0.000 -1.300 0.000) 1.300 7.217 ( 0.000 -12.859 0.000) 12.859 7.281 ( 0.000 7.776 0.000) 7.776 7.455 ( 0.000 -10.706 0.000) 10.706 8.094 ( 0.000 4.197 0.000) 4.197 8.152 ( 0.000 -2.218 0.000) 2.218 8.572 ( 0.000 0.143 0.000) 0.143 8.580 ( 0.000 -0.638 0.000) 0.638 8.993 ( 0.000 1.692 0.000) 1.692 9.027 ( 0.000 -1.911 0.000) 1.911 9.421 ( 0.000 2.400 0.000) 2.400 9.462 ( 0.000 -1.936 0.000) 1.936 9.558 ( 0.000 6.073 0.000) 6.073 9.676 ( 0.000 -6.380 0.000) 6.380 10.255 ( 0.000 5.517 0.000) 5.517 10.353 ( 0.000 -4.960 0.000) 4.960 10.835 ( 0.000 4.598 0.000) 4.598 10.923 ( 0.000 -4.571 0.000) 4.571 11.259 ( 0.000 16.500 0.000) 16.500 11.598 ( 0.000 -19.715 0.000) 19.715 12.103 ( 0.000 0.843 0.000) 0.843 12.119 ( 0.000 -0.839 0.000) 0.839 12.403 ( 0.000 3.551 0.000) 3.551 12.458 ( 0.000 -1.860 0.000) 1.860 13.772 ( 0.000 12.306 0.000) 12.306 13.984 ( 0.000 -10.094 0.000) 10.094 15.108 ( 0.000 0.324 0.000) 0.324 15.115 ( 0.000 -0.398 0.000) 0.398 15.648 ( 0.000 6.151 0.000) 6.151 15.780 ( 0.000 -7.913 0.000) 7.913 16.286 ( 0.000 1.216 0.000) 1.216 16.308 ( 0.000 -1.055 0.000) 1.055 16.603 ( 0.000 5.213 0.000) 5.213 16.646 ( 0.000 1.306 0.000) 1.306 16.890 ( 0.000 0.392 0.000) 0.392 16.969 ( 0.000 -7.134 0.000) 7.134 17.686 ( 0.000 1.866 0.000) 1.866 17.690 ( 0.000 3.248 0.000) 3.248 17.704 ( 0.000 -0.017 0.000) 0.017 17.765 ( 0.000 -4.889 0.000) 4.889 18.327 ( 0.000 7.393 0.000) 7.393 18.450 ( 0.000 -5.792 0.000) 5.792 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.11 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 21.851 14.948 0.000) 26.474 1.080 ( 10.554 23.628 0.000) 25.878 1.292 ( 19.836 -15.337 0.000) 25.073 1.523 ( 7.834 -24.021 0.000) 25.266 2.082 ( 8.750 39.052 0.000) 40.020 2.637 ( 1.420 -7.854 0.000) 7.981 2.735 ( 2.230 4.114 0.000) 4.679 2.939 ( -6.906 9.088 0.000) 11.414 3.049 ( -6.882 -1.712 0.000) 7.092 3.090 ( 7.521 -26.829 0.000) 27.864 3.280 ( -1.905 4.805 0.000) 5.168 3.400 ( -1.439 -5.321 0.000) 5.512 3.508 ( 6.223 9.821 0.000) 11.627 3.607 ( 6.362 0.191 0.000) 6.365 3.661 ( -2.525 0.041 0.000) 2.526 3.690 ( -2.406 -2.855 0.000) 3.734 4.005 ( -3.842 -3.287 0.000) 5.056 4.107 ( 2.273 -12.304 0.000) 12.512 4.195 ( 4.170 6.479 0.000) 7.705 4.349 ( 9.644 -9.221 0.000) 13.343 4.782 ( 1.303 7.607 0.000) 7.717 4.865 ( 5.023 0.010 0.000) 5.023 4.971 ( 3.510 4.718 0.000) 5.881 4.987 ( 0.364 12.280 0.000) 12.285 5.029 ( 6.029 -1.800 0.000) 6.292 5.314 ( 0.494 -20.244 0.000) 20.250 5.845 ( -5.366 13.643 0.000) 14.660 6.064 ( -10.177 -9.150 0.000) 13.685 6.901 ( -1.106 4.960 0.000) 5.082 6.944 ( 0.460 15.364 0.000) 15.371 6.979 ( 1.560 -3.187 0.000) 3.548 7.193 ( -2.386 -11.310 0.000) 11.559 7.417 ( 13.162 7.280 0.000) 15.041 7.580 ( 11.754 -10.112 0.000) 15.505 8.214 ( 10.855 4.236 0.000) 11.652 8.266 ( 9.939 -1.349 0.000) 10.030 8.583 ( 1.153 0.006 0.000) 1.153 8.589 ( 0.921 -0.580 0.000) 1.088 8.692 ( -10.656 15.987 0.000) 19.213 8.938 ( -4.129 -11.035 0.000) 11.782 9.533 ( -2.564 5.659 0.000) 6.213 9.644 ( -3.243 -6.092 0.000) 6.901 9.666 ( 14.861 5.382 0.000) 15.806 9.776 ( 16.500 -6.420 0.000) 17.705 10.217 ( -3.841 5.317 0.000) 6.559 10.312 ( -4.223 -4.764 0.000) 6.366 11.079 ( 15.583 2.222 0.000) 15.741 11.198 ( 31.531 -13.004 0.000) 34.107 11.231 ( -2.922 16.613 0.000) 16.868 11.571 ( -2.753 -19.757 0.000) 19.948 12.097 ( -0.492 0.308 0.000) 0.581 12.104 ( -1.433 -0.361 0.000) 1.478 12.378 ( -2.515 3.730 0.000) 4.499 12.440 ( -2.004 -2.358 0.000) 3.095 13.662 ( -10.361 13.077 0.000) 16.684 13.887 ( -9.104 -10.755 0.000) 14.091 14.973 ( -4.659 16.986 0.000) 17.613 15.272 ( 7.278 -17.023 0.000) 18.514 15.645 ( -0.534 7.251 0.000) 7.271 15.799 ( 1.505 -9.210 0.000) 9.332 16.312 ( 2.445 1.596 0.000) 2.920 16.341 ( 3.180 -1.449 0.000) 3.494 16.615 ( 1.150 5.292 0.000) 5.416 16.650 ( 0.299 1.842 0.000) 1.866 16.948 ( 5.588 -0.723 0.000) 5.635 17.005 ( 3.631 -6.425 0.000) 7.380 17.636 ( -5.460 2.332 0.000) 5.937 17.672 ( -8.379 -0.922 0.000) 8.430 17.677 ( -0.870 1.743 0.000) 1.948 17.692 ( -1.169 0.236 0.000) 1.192 18.195 ( -9.716 11.224 0.000) 14.845 18.364 ( -7.754 -7.255 0.000) 10.619 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.22 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 14.145 19.503 0.000) 24.092 1.391 ( 16.803 13.255 0.000) 21.402 1.635 ( 13.387 -13.424 0.000) 18.958 1.714 ( 10.539 -20.914 0.000) 23.419 2.307 ( 11.043 21.980 0.000) 24.598 2.668 ( -2.505 -14.626 0.000) 14.839 2.813 ( -5.095 6.001 0.000) 7.872 2.872 ( 14.742 16.289 0.000) 21.970 2.907 ( -6.639 -3.992 0.000) 7.747 3.188 ( -7.176 7.332 0.000) 10.259 3.244 ( 7.750 -20.176 0.000) 21.613 3.281 ( -8.658 -2.591 0.000) 9.038 3.592 ( -0.018 8.718 0.000) 8.718 3.635 ( 0.722 0.532 0.000) 0.896 3.709 ( 3.058 -6.508 0.000) 7.191 3.745 ( 9.140 6.885 0.000) 11.443 3.908 ( -5.168 -0.589 0.000) 5.201 4.191 ( 6.065 -18.820 0.000) 19.773 4.316 ( 6.987 11.203 0.000) 13.204 4.529 ( 7.581 -11.071 0.000) 13.418 4.807 ( 1.428 11.532 0.000) 11.620 4.941 ( 1.338 -1.723 0.000) 2.182 5.034 ( 2.529 7.919 0.000) 8.313 5.053 ( 6.830 8.609 0.000) 10.989 5.151 ( 4.889 -5.050 0.000) 7.028 5.326 ( 0.587 -18.468 0.000) 18.477 5.716 ( -7.156 7.413 0.000) 10.303 5.831 ( -12.565 -4.017 0.000) 13.191 6.893 ( 0.474 6.664 0.000) 6.681 6.955 ( 0.643 11.227 0.000) 11.245 7.002 ( 0.803 -4.351 0.000) 4.424 7.128 ( -3.906 -7.313 0.000) 8.291 7.766 ( 21.013 5.597 0.000) 21.745 7.890 ( 18.743 -7.620 0.000) 20.233 8.400 ( 5.830 9.303 0.000) 10.979 8.484 ( 11.777 -0.139 0.000) 11.777 8.613 ( 1.569 -0.002 0.000) 1.569 8.621 ( 2.493 -0.743 0.000) 2.601 8.738 ( 12.972 7.491 0.000) 14.979 8.949 ( 5.168 -13.965 0.000) 14.891 9.453 ( -5.723 4.450 0.000) 7.250 9.543 ( -7.123 -5.113 0.000) 8.768 9.921 ( 10.716 8.710 0.000) 13.809 10.054 ( 14.419 -5.670 0.000) 15.493 10.101 ( -7.895 4.567 0.000) 9.121 10.183 ( -8.880 -4.102 0.000) 9.781 11.141 ( -6.195 16.935 0.000) 18.033 11.479 ( 22.676 14.026 0.000) 26.663 11.487 ( -5.859 -19.932 0.000) 20.776 11.829 ( 26.089 -23.413 0.000) 35.054 12.084 ( 1.208 -0.270 0.000) 1.238 12.097 ( 1.711 -1.556 0.000) 2.313 12.300 ( -5.415 4.011 0.000) 6.738 12.373 ( -4.844 -3.376 0.000) 5.904 13.402 ( -14.792 15.047 0.000) 21.100 13.660 ( -12.924 -12.346 0.000) 17.874 14.949 ( 2.258 24.611 0.000) 24.715 15.399 ( 5.781 -25.060 0.000) 25.718 15.615 ( -2.716 9.687 0.000) 10.061 15.818 ( -0.026 -12.042 0.000) 12.042 16.375 ( 3.754 2.651 0.000) 4.596 16.425 ( 5.047 -2.647 0.000) 5.699 16.639 ( 0.707 4.568 0.000) 4.623 16.657 ( 0.679 2.722 0.000) 2.806 17.093 ( 8.417 -2.611 0.000) 8.812 17.105 ( 6.140 -4.422 0.000) 7.566 17.465 ( -8.964 7.211 0.000) 11.504 17.535 ( -5.729 -1.575 0.000) 5.942 17.651 ( -1.616 1.797 0.000) 2.417 17.663 ( -1.594 0.587 0.000) 1.699 18.025 ( -7.463 8.879 0.000) 11.599 18.184 ( -9.649 -7.630 0.000) 12.301 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.33 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 12.360 15.788 0.000) 20.051 1.695 ( 13.805 10.128 0.000) 17.121 1.849 ( 9.261 -6.543 0.000) 11.340 1.911 ( 8.916 -16.631 0.000) 18.870 2.444 ( 3.031 6.391 0.000) 7.074 2.564 ( -6.903 -5.809 0.000) 9.022 2.716 ( -6.771 4.026 0.000) 7.878 2.786 ( -5.911 -2.962 0.000) 6.612 3.044 ( -5.660 6.904 0.000) 8.928 3.155 ( -1.403 -4.108 0.000) 4.341 3.185 ( 11.720 8.205 0.000) 14.307 3.354 ( 1.691 -3.208 0.000) 3.626 3.598 ( 3.525 -0.010 0.000) 3.525 3.681 ( 3.128 1.535 0.000) 3.485 3.769 ( 2.559 -6.145 0.000) 6.657 3.772 ( -4.431 -12.152 0.000) 12.935 3.992 ( 12.332 19.277 0.000) 22.885 4.328 ( 7.126 -15.814 0.000) 17.346 4.435 ( 4.262 10.625 0.000) 11.448 4.617 ( 0.363 -8.102 0.000) 8.110 4.849 ( 3.369 12.468 0.000) 12.915 4.970 ( 2.352 1.155 0.000) 2.620 5.058 ( -0.213 9.140 0.000) 9.143 5.196 ( 6.839 -0.567 0.000) 6.862 5.201 ( 0.020 -5.888 0.000) 5.888 5.334 ( 0.256 -14.526 0.000) 14.528 5.565 ( -9.113 1.407 0.000) 9.221 5.594 ( -9.581 -1.668 0.000) 9.725 6.917 ( 1.737 5.902 0.000) 6.153 6.969 ( 0.840 6.255 0.000) 6.311 7.012 ( 0.191 -3.481 0.000) 3.486 7.051 ( -3.593 -2.541 0.000) 4.401 8.212 ( 23.049 3.628 0.000) 23.333 8.290 ( 20.653 -4.586 0.000) 21.156 8.522 ( 6.953 10.014 0.000) 12.191 8.644 ( 1.299 1.424 0.000) 1.927 8.681 ( 3.357 -2.383 0.000) 4.117 8.687 ( 8.386 -6.138 0.000) 10.392 9.042 ( 15.651 1.281 0.000) 15.704 9.104 ( 9.610 -6.492 0.000) 11.598 9.300 ( -9.812 2.614 0.000) 10.154 9.356 ( -11.770 -3.354 0.000) 12.238 9.904 ( -11.864 2.920 0.000) 12.218 9.958 ( -13.731 -2.737 0.000) 14.001 10.149 ( 13.286 13.342 0.000) 18.828 10.381 ( 18.342 -11.623 0.000) 21.714 10.981 ( -10.015 17.376 0.000) 20.056 11.334 ( -9.758 -20.282 0.000) 22.507 11.875 ( 13.789 12.711 0.000) 18.754 11.984 ( -0.567 -0.435 0.000) 0.715 12.166 ( 9.694 4.906 0.000) 10.865 12.171 ( -7.144 4.459 0.000) 8.422 12.254 ( -6.742 -4.122 0.000) 7.902 12.424 ( 22.118 -20.997 0.000) 30.497 13.104 ( -15.012 17.153 0.000) 22.795 13.399 ( -13.235 -14.278 0.000) 19.468 15.051 ( 7.496 24.232 0.000) 25.365 15.510 ( 5.557 -25.345 0.000) 25.947 15.533 ( -5.566 12.618 0.000) 13.791 15.791 ( -2.602 -15.034 0.000) 15.257 16.453 ( 3.974 4.022 0.000) 5.654 16.529 ( 5.082 -3.928 0.000) 6.423 16.631 ( -1.301 4.601 0.000) 4.782 16.675 ( 0.542 1.035 0.000) 1.168 17.228 ( 5.561 -1.439 0.000) 5.744 17.258 ( 7.567 -3.832 0.000) 8.482 17.337 ( -3.836 8.554 0.000) 9.375 17.445 ( -3.147 -3.731 0.000) 4.881 17.628 ( -0.083 1.796 0.000) 1.798 17.636 ( -0.756 0.827 0.000) 1.120 17.884 ( -6.906 5.681 0.000) 8.942 17.995 ( -9.274 -5.789 0.000) 10.933 ======================= Grid point 22 (15/75) ======================= q-point: ( 0.44 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 7.562 13.246 0.000) 15.253 1.872 ( 2.320 10.533 0.000) 10.786 2.034 ( 8.322 -5.609 0.000) 10.036 2.058 ( 5.162 -13.184 0.000) 14.158 2.442 ( -2.954 0.935 0.000) 3.098 2.497 ( 3.972 -3.892 0.000) 5.561 2.529 ( -10.082 5.905 0.000) 11.685 2.633 ( -8.841 -5.142 0.000) 10.228 3.047 ( 5.317 10.214 0.000) 11.515 3.186 ( -7.052 10.756 0.000) 12.862 3.226 ( 6.905 -7.679 0.000) 10.327 3.355 ( -3.924 -5.807 0.000) 7.009 3.698 ( 4.186 -2.521 0.000) 4.887 3.729 ( 0.962 0.216 0.000) 0.986 3.753 ( 2.480 -6.227 0.000) 6.703 3.793 ( -0.476 -4.644 0.000) 4.669 4.259 ( 13.661 12.173 0.000) 18.298 4.449 ( 4.689 -7.081 0.000) 8.493 4.460 ( -3.261 6.002 0.000) 6.831 4.536 ( -6.343 -1.180 0.000) 6.452 4.958 ( 6.468 9.545 0.000) 11.530 5.029 ( 3.793 2.954 0.000) 4.807 5.034 ( -1.978 7.719 0.000) 7.968 5.145 ( -5.792 -0.725 0.000) 5.837 5.322 ( 6.142 -5.809 0.000) 8.454 5.341 ( 0.807 -10.063 0.000) 10.095 5.394 ( -5.651 -2.711 0.000) 6.268 5.449 ( -6.612 -5.731 0.000) 8.750 6.953 ( 1.802 4.034 0.000) 4.418 6.986 ( -0.134 2.256 0.000) 2.260 6.996 ( -1.097 1.098 0.000) 1.552 7.008 ( -0.620 -1.233 0.000) 1.380 8.592 ( 7.160 5.331 0.000) 8.926 8.639 ( 16.237 0.259 0.000) 16.239 8.653 ( -0.723 3.916 0.000) 3.982 8.733 ( 16.972 0.074 0.000) 16.972 8.739 ( 1.773 -4.886 0.000) 5.198 8.814 ( 6.081 -7.528 0.000) 9.677 9.059 ( -14.547 0.481 0.000) 14.555 9.077 ( -16.061 -1.541 0.000) 16.135 9.336 ( 14.238 -0.135 0.000) 14.239 9.344 ( 14.998 -0.704 0.000) 15.014 9.639 ( -14.530 0.570 0.000) 14.541 9.651 ( -16.562 -0.699 0.000) 16.577 10.444 ( 15.746 16.452 0.000) 22.773 10.743 ( -13.854 17.503 0.000) 22.322 10.756 ( 18.666 -16.995 0.000) 25.244 11.092 ( -14.724 -19.827 0.000) 24.696 11.980 ( 1.302 3.239 0.000) 3.490 12.025 ( 4.476 -0.658 0.000) 4.524 12.043 ( -5.109 4.653 0.000) 6.910 12.125 ( -5.882 -3.784 0.000) 6.994 12.471 ( 17.521 17.213 0.000) 24.561 12.802 ( -15.759 18.366 0.000) 24.200 12.817 ( 17.533 -19.069 0.000) 25.904 13.129 ( -14.276 -16.467 0.000) 21.794 15.222 ( 9.189 20.433 0.000) 22.404 15.396 ( -8.070 16.185 0.000) 18.086 15.620 ( 5.415 -22.099 0.000) 22.753 15.719 ( -4.496 -18.296 0.000) 18.840 16.529 ( 3.557 5.018 0.000) 6.151 16.591 ( -2.652 5.164 0.000) 5.805 16.617 ( 3.613 -3.968 0.000) 5.367 16.667 ( -1.425 -2.048 0.000) 2.495 17.296 ( 1.154 3.030 0.000) 3.242 17.301 ( -0.271 6.835 0.000) 6.840 17.370 ( 3.384 -4.466 0.000) 5.603 17.406 ( -1.153 -4.585 0.000) 4.728 17.652 ( 2.997 2.156 0.000) 3.692 17.679 ( 5.297 -0.752 0.000) 5.350 17.751 ( -6.340 3.720 0.000) 7.350 17.820 ( -8.317 -3.522 0.000) 9.032 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 0.000 22.346) 22.346 0.518 ( 0.000 0.000 25.903) 25.903 0.922 ( 0.000 0.000 45.205) 45.205 1.624 ( 0.000 0.000 12.113) 12.113 2.291 ( 0.000 0.000 8.632) 8.632 2.340 ( 0.000 0.000 -1.316) 1.316 2.355 ( 0.000 0.000 -10.556) 10.556 2.877 ( 0.000 0.000 -6.242) 6.242 2.980 ( 0.000 0.000 9.549) 9.549 3.077 ( 0.000 0.000 5.798) 5.798 3.183 ( 0.000 0.000 -12.032) 12.032 3.391 ( 0.000 0.000 -7.373) 7.373 3.436 ( 0.000 0.000 -3.200) 3.200 3.745 ( 0.000 0.000 4.282) 4.282 3.759 ( 0.000 0.000 5.321) 5.321 4.192 ( 0.000 0.000 -1.760) 1.760 4.233 ( 0.000 0.000 7.873) 7.873 4.256 ( 0.000 0.000 -2.167) 2.167 4.316 ( 0.000 0.000 6.680) 6.680 4.471 ( 0.000 0.000 -0.993) 0.993 4.579 ( 0.000 0.000 12.053) 12.053 4.655 ( 0.000 0.000 -1.044) 1.044 4.812 ( 0.000 0.000 -2.621) 2.621 4.914 ( 0.000 0.000 3.328) 3.328 4.999 ( 0.000 0.000 4.548) 4.548 5.408 ( 0.000 0.000 -3.944) 3.944 5.746 ( 0.000 0.000 -3.921) 3.921 5.937 ( 0.000 0.000 0.720) 0.720 6.361 ( 0.000 0.000 -2.431) 2.431 6.852 ( 0.000 0.000 1.721) 1.721 6.943 ( 0.000 0.000 -3.283) 3.283 7.189 ( 0.000 0.000 4.131) 4.131 7.381 ( 0.000 0.000 -7.728) 7.728 7.873 ( 0.000 0.000 -0.009) 0.009 7.921 ( 0.000 0.000 4.313) 4.313 7.923 ( 0.000 0.000 9.318) 9.318 8.316 ( 0.000 0.000 10.498) 10.498 8.602 ( 0.000 0.000 2.631) 2.631 8.726 ( 0.000 0.000 0.922) 0.922 9.132 ( 0.000 0.000 6.387) 6.387 9.254 ( 0.000 0.000 -4.910) 4.910 9.553 ( 0.000 0.000 5.470) 5.470 9.613 ( 0.000 0.000 12.891) 12.891 9.832 ( 0.000 0.000 -0.282) 0.282 10.592 ( 0.000 0.000 12.223) 12.223 10.653 ( 0.000 0.000 -7.139) 7.139 10.992 ( 0.000 0.000 6.722) 6.722 11.011 ( 0.000 0.000 -0.533) 0.533 11.964 ( 0.000 0.000 -10.858) 10.858 12.070 ( 0.000 0.000 -6.989) 6.989 12.196 ( 0.000 0.000 -0.364) 0.364 12.283 ( 0.000 0.000 -1.714) 1.714 12.329 ( 0.000 0.000 0.774) 0.774 12.925 ( 0.000 0.000 7.018) 7.018 13.299 ( 0.000 0.000 -14.005) 14.005 13.988 ( 0.000 0.000 9.692) 9.692 14.133 ( 0.000 0.000 -4.676) 4.676 15.091 ( 0.000 0.000 -3.317) 3.317 15.947 ( 0.000 0.000 -4.441) 4.441 16.132 ( 0.000 0.000 -2.265) 2.265 16.257 ( 0.000 0.000 -0.045) 0.045 16.361 ( 0.000 0.000 2.222) 2.222 16.426 ( 0.000 0.000 0.035) 0.035 16.478 ( 0.000 0.000 -4.418) 4.418 16.685 ( 0.000 0.000 3.981) 3.981 17.027 ( 0.000 0.000 7.494) 7.494 17.152 ( 0.000 0.000 -1.090) 1.090 17.623 ( 0.000 0.000 -4.678) 4.678 17.696 ( 0.000 0.000 5.936) 5.936 17.914 ( 0.000 0.000 -3.300) 3.300 18.205 ( 0.000 0.000 0.691) 0.691 18.517 ( 0.000 0.000 -4.602) 4.602 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.11 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 17.179 0.000 16.046) 23.507 0.706 ( 16.342 0.000 19.656) 25.562 1.288 ( 29.654 0.000 27.226) 40.257 1.909 ( 24.537 0.000 6.884) 25.484 2.150 ( -9.460 0.000 -7.363) 11.988 2.381 ( 8.965 0.000 8.403) 12.287 2.489 ( 3.533 0.000 1.262) 3.751 2.872 ( -0.713 0.000 -5.126) 5.176 3.000 ( 1.514 0.000 5.652) 5.851 3.124 ( 5.032 0.000 4.634) 6.840 3.220 ( -4.543 0.000 -10.526) 11.465 3.384 ( -2.685 0.000 -7.069) 7.562 3.449 ( -3.240 0.000 -4.056) 5.191 3.650 ( -5.144 0.000 -1.620) 5.392 3.768 ( 1.098 0.000 3.263) 3.443 4.117 ( -6.030 0.000 3.782) 7.118 4.180 ( -1.421 0.000 -0.871) 1.667 4.225 ( -2.459 0.000 7.258) 7.663 4.446 ( 10.049 0.000 1.648) 10.183 4.484 ( 0.731 0.000 -6.596) 6.636 4.612 ( -3.752 0.000 5.191) 6.405 4.758 ( 13.320 0.000 7.974) 15.525 4.833 ( 2.206 0.000 1.804) 2.849 4.962 ( -3.229 0.000 2.219) 3.918 5.203 ( 14.746 0.000 -15.420) 21.336 5.435 ( 2.284 0.000 -3.077) 3.832 5.700 ( -4.782 0.000 -3.986) 6.226 5.919 ( -1.837 0.000 1.272) 2.234 6.433 ( 6.501 0.000 -2.186) 6.858 6.805 ( -2.823 0.000 1.583) 3.236 6.962 ( 1.602 0.000 -3.326) 3.692 7.335 ( 14.116 0.000 4.306) 14.758 7.344 ( -3.793 0.000 -5.851) 6.973 7.932 ( 6.356 0.000 2.639) 6.882 7.976 ( 5.676 0.000 2.862) 6.357 8.116 ( 16.318 0.000 9.133) 18.700 8.442 ( 11.971 0.000 9.872) 15.516 8.618 ( 1.648 0.000 2.651) 3.122 8.658 ( -2.298 0.000 3.338) 4.052 9.208 ( 7.028 0.000 4.323) 8.251 9.417 ( 6.161 0.000 -6.356) 8.852 9.536 ( -1.070 0.000 6.361) 6.451 9.770 ( 14.282 0.000 3.691) 14.751 9.813 ( -1.890 0.000 1.364) 2.330 10.468 ( -13.847 0.000 10.612) 17.446 10.538 ( -5.393 0.000 11.610) 12.801 10.906 ( -4.836 0.000 4.074) 6.324 11.066 ( 5.539 0.000 -0.679) 5.580 11.967 ( 0.204 0.000 -10.484) 10.486 12.045 ( -2.419 0.000 -6.839) 7.254 12.150 ( -3.573 0.000 -2.874) 4.586 12.274 ( -1.203 0.000 -1.643) 2.036 12.383 ( 2.448 0.000 2.174) 3.274 12.803 ( -3.051 0.000 8.095) 8.651 13.200 ( -9.977 0.000 -12.097) 15.680 14.028 ( 4.649 0.000 8.211) 9.435 14.055 ( -7.383 0.000 -4.365) 8.577 15.307 ( 7.381 0.000 -13.494) 15.381 15.998 ( 4.848 0.000 -5.873) 7.615 16.234 ( 2.175 0.000 -5.021) 5.472 16.307 ( -3.668 0.000 -1.349) 3.909 16.312 ( 8.183 0.000 -9.087) 12.228 16.414 ( -1.096 0.000 0.651) 1.275 16.526 ( 2.944 0.000 -0.883) 3.073 16.734 ( 4.701 0.000 4.793) 6.714 17.057 ( 2.834 0.000 3.153) 4.240 17.201 ( 4.886 0.000 1.225) 5.038 17.592 ( -3.108 0.000 -4.919) 5.818 17.682 ( -1.153 0.000 7.017) 7.111 17.899 ( -2.170 0.000 -2.490) 3.302 17.966 ( -12.556 0.000 14.126) 18.900 18.463 ( -5.525 0.000 -3.619) 6.605 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.22 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 19.577 0.000 11.542) 22.726 1.080 ( 20.163 0.000 13.622) 24.334 1.889 ( 27.917 0.000 8.619) 29.218 1.996 ( -5.619 0.000 -5.077) 7.573 2.395 ( 19.955 0.000 -2.352) 20.093 2.479 ( -3.474 0.000 8.474) 9.159 2.647 ( 16.746 0.000 7.759) 18.456 2.854 ( -1.280 0.000 -4.529) 4.707 3.016 ( -0.325 0.000 2.696) 2.715 3.082 ( -6.621 0.000 2.319) 7.016 3.197 ( -12.432 0.000 -4.163) 13.111 3.256 ( 7.220 0.000 2.107) 7.521 3.304 ( -9.348 0.000 -1.772) 9.514 3.691 ( 7.247 0.000 -6.633) 9.824 3.805 ( 2.451 0.000 -1.306) 2.777 3.997 ( -5.457 0.000 1.021) 5.552 4.129 ( -3.762 0.000 0.425) 3.786 4.205 ( 0.124 0.000 9.357) 9.357 4.473 ( -2.053 0.000 -13.447) 13.603 4.524 ( -2.158 0.000 4.223) 4.742 4.675 ( 10.144 0.000 1.066) 10.200 4.876 ( -3.654 0.000 0.470) 3.684 4.910 ( 3.315 0.000 5.051) 6.041 5.033 ( 13.663 0.000 3.748) 14.168 5.391 ( 6.133 0.000 -10.595) 12.242 5.473 ( 0.422 0.000 -3.535) 3.560 5.555 ( -9.132 0.000 -3.347) 9.726 5.869 ( -3.051 0.000 2.298) 3.820 6.587 ( 8.344 0.000 -1.528) 8.483 6.785 ( 0.967 0.000 1.516) 1.798 6.990 ( 0.897 0.000 -2.529) 2.683 7.235 ( -6.881 0.000 -1.786) 7.109 7.709 ( 22.491 0.000 4.302) 22.899 8.113 ( 10.467 0.000 5.813) 11.973 8.160 ( 13.452 0.000 1.003) 13.489 8.461 ( 16.521 0.000 8.275) 18.477 8.647 ( 0.881 0.000 2.491) 2.642 8.667 ( 4.213 0.000 2.548) 4.923 8.755 ( 17.707 0.000 9.565) 20.125 9.365 ( 7.113 0.000 -2.136) 7.427 9.438 ( -3.168 0.000 6.077) 6.853 9.524 ( -0.682 0.000 -1.395) 1.553 9.764 ( -2.295 0.000 6.827) 7.202 10.112 ( 15.901 0.000 6.485) 17.173 10.224 ( -6.145 0.000 9.217) 11.078 10.380 ( -10.507 0.000 10.623) 14.941 10.799 ( -6.619 0.000 1.444) 6.775 11.231 ( 10.991 0.000 -1.459) 11.087 11.961 ( -1.419 0.000 -8.857) 8.970 11.981 ( -3.805 0.000 -6.300) 7.360 12.073 ( -3.223 0.000 -3.289) 4.605 12.220 ( -4.799 0.000 -1.568) 5.048 12.398 ( -0.825 0.000 3.645) 3.738 12.850 ( 6.404 0.000 0.878) 6.464 12.925 ( -16.488 0.000 -7.825) 18.251 13.869 ( -10.670 0.000 -3.965) 11.383 14.186 ( 11.072 0.000 5.027) 12.160 15.333 ( -2.893 0.000 -7.899) 8.412 16.121 ( 7.056 0.000 -8.917) 11.371 16.241 ( -2.894 0.000 -3.579) 4.603 16.242 ( -0.516 0.000 -3.936) 3.970 16.393 ( -0.536 0.000 2.602) 2.657 16.447 ( 4.383 0.000 -13.274) 13.979 16.565 ( 0.905 0.000 1.529) 1.777 16.854 ( 6.969 0.000 5.960) 9.170 17.130 ( 4.377 0.000 -3.991) 5.923 17.336 ( 8.191 0.000 3.645) 8.965 17.508 ( -5.096 0.000 -5.018) 7.151 17.666 ( -0.010 0.000 9.768) 9.768 17.755 ( -7.585 0.000 6.969) 10.301 17.883 ( -1.773 0.000 3.306) 3.751 18.314 ( -9.021 0.000 -1.560) 9.155 ======================= Grid point 48 (19/75) ======================= q-point: ( 0.33 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 16.103 0.000 10.938) 19.467 1.471 ( 18.278 0.000 10.343) 21.001 1.935 ( -0.215 0.000 -0.147) 0.260 2.330 ( 16.061 0.000 -0.840) 16.083 2.412 ( -1.963 0.000 7.386) 7.643 2.623 ( -0.184 0.000 -1.451) 1.462 2.740 ( -5.008 0.000 -1.385) 5.196 2.812 ( -3.042 0.000 -2.258) 3.789 2.905 ( -10.391 0.000 3.478) 10.958 2.971 ( -4.207 0.000 2.080) 4.693 3.128 ( -1.143 0.000 -3.794) 3.963 3.377 ( 4.212 0.000 0.287) 4.221 3.377 ( 24.706 0.000 4.124) 25.047 3.822 ( 3.038 0.000 -3.219) 4.426 3.848 ( 1.223 0.000 -5.931) 6.056 3.953 ( 2.232 0.000 -1.642) 2.771 4.038 ( -4.895 0.000 1.178) 5.035 4.222 ( 2.509 0.000 5.902) 6.413 4.412 ( -3.802 0.000 -12.273) 12.848 4.531 ( 3.263 0.000 4.130) 5.263 4.745 ( -9.144 0.000 -2.463) 9.470 4.855 ( 7.816 0.000 1.762) 8.012 4.985 ( 2.063 0.000 5.327) 5.712 5.285 ( 11.477 0.000 0.953) 11.517 5.291 ( -13.850 0.000 -1.802) 13.967 5.487 ( 3.888 0.000 -7.882) 8.789 5.506 ( 0.280 0.000 -5.020) 5.028 5.798 ( -4.302 0.000 2.310) 4.883 6.745 ( 7.342 0.000 -0.638) 7.370 6.833 ( 3.385 0.000 2.004) 3.934 6.991 ( -0.905 0.000 -0.865) 1.252 7.094 ( -6.711 0.000 1.892) 6.972 8.185 ( 24.468 0.000 3.758) 24.755 8.322 ( 10.164 0.000 3.939) 10.900 8.479 ( 17.475 0.000 2.802) 17.698 8.628 ( 0.620 0.000 0.914) 1.104 8.771 ( 6.323 0.000 3.222) 7.096 8.794 ( 13.104 0.000 7.533) 15.115 9.106 ( 15.330 0.000 7.690) 17.150 9.326 ( -7.955 0.000 7.187) 10.721 9.392 ( -4.817 0.000 -2.645) 5.496 9.486 ( -2.549 0.000 2.493) 3.565 9.809 ( 8.299 0.000 7.483) 11.174 9.966 ( -11.501 0.000 11.886) 16.539 10.124 ( -14.913 0.000 10.449) 18.209 10.603 ( 3.856 0.000 -1.231) 4.048 10.666 ( 13.138 0.000 2.072) 13.301 11.485 ( 13.748 0.000 -3.051) 14.083 11.899 ( -3.960 0.000 -4.602) 6.071 11.905 ( -3.441 0.000 -5.246) 6.274 12.047 ( -0.272 0.000 -7.141) 7.146 12.057 ( -12.217 0.000 -1.750) 12.342 12.354 ( -3.242 0.000 5.394) 6.294 12.604 ( -14.434 0.000 -3.054) 14.753 13.020 ( 10.140 0.000 -2.515) 10.448 13.654 ( -10.672 0.000 -3.968) 11.386 14.450 ( 14.955 0.000 2.251) 15.124 15.224 ( -7.878 0.000 -4.430) 9.038 16.194 ( -1.762 0.000 -4.643) 4.966 16.217 ( -1.771 0.000 -4.883) 5.194 16.264 ( 7.001 0.000 -11.353) 13.338 16.404 ( 1.669 0.000 3.804) 4.155 16.494 ( 0.595 0.000 -12.606) 12.620 16.561 ( -1.318 0.000 2.846) 3.137 16.998 ( 7.298 0.000 5.091) 8.899 17.226 ( 5.300 0.000 -7.517) 9.198 17.396 ( -6.038 0.000 -4.118) 7.309 17.508 ( 8.803 0.000 3.714) 9.554 17.614 ( -7.009 0.000 1.072) 7.091 17.693 ( 2.786 0.000 12.101) 12.418 17.842 ( -2.458 0.000 6.473) 6.924 18.122 ( -9.976 0.000 0.843) 10.012 ======================= Grid point 49 (20/75) ======================= q-point: ( 0.44 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 8.984 0.000 11.085) 14.269 1.706 ( 2.672 0.000 9.940) 10.293 2.049 ( 13.337 0.000 3.089) 13.690 2.364 ( -15.056 0.000 1.004) 15.089 2.434 ( 4.364 0.000 2.947) 5.266 2.561 ( -3.895 0.000 -0.053) 3.895 2.630 ( 1.623 0.000 -1.149) 1.989 2.733 ( -4.863 0.000 -1.483) 5.084 2.815 ( 0.022 0.000 2.825) 2.825 2.871 ( -4.946 0.000 2.596) 5.586 3.238 ( 9.516 0.000 -4.712) 10.619 3.388 ( -3.864 0.000 -2.761) 4.749 3.810 ( 5.225 0.000 -3.344) 6.203 3.842 ( -1.234 0.000 -5.051) 5.200 3.898 ( 11.732 0.000 -6.665) 13.493 3.967 ( -1.880 0.000 -2.094) 2.814 4.017 ( 8.055 0.000 4.654) 9.303 4.299 ( -9.769 0.000 -6.652) 11.819 4.340 ( 8.107 0.000 1.919) 8.332 4.523 ( -11.546 0.000 0.948) 11.585 4.657 ( 9.833 0.000 -0.386) 9.841 4.900 ( -12.049 0.000 -4.112) 12.732 4.986 ( 5.438 0.000 4.384) 6.985 5.080 ( -5.236 0.000 6.723) 8.522 5.466 ( 5.595 0.000 -1.218) 5.726 5.509 ( -0.231 0.000 -5.603) 5.608 5.564 ( 5.079 0.000 -5.758) 7.678 5.691 ( -6.432 0.000 0.003) 6.432 6.872 ( 5.352 0.000 0.255) 5.358 6.903 ( 3.533 0.000 3.009) 4.640 6.953 ( -2.904 0.000 0.312) 2.921 6.981 ( -4.666 0.000 3.499) 5.833 8.495 ( 6.925 0.000 2.163) 7.255 8.575 ( 2.509 0.000 0.917) 2.671 8.676 ( 15.460 0.000 3.345) 15.817 8.808 ( 13.522 0.000 2.365) 13.728 8.900 ( 5.927 0.000 5.877) 8.346 8.986 ( 3.849 0.000 1.863) 4.277 9.101 ( -12.174 0.000 -1.622) 12.282 9.126 ( -11.889 0.000 6.154) 13.387 9.475 ( 12.326 0.000 10.206) 16.003 9.501 ( 6.792 0.000 9.374) 11.576 9.735 ( -11.633 0.000 10.316) 15.548 9.778 ( -16.065 0.000 10.014) 18.931 10.078 ( 14.424 0.000 3.430) 14.826 10.375 ( -14.337 0.000 1.312) 14.397 11.192 ( 26.534 0.000 -2.498) 26.651 11.636 ( -11.833 0.000 -6.873) 13.684 11.819 ( -0.990 0.000 -1.187) 1.546 11.838 ( -1.808 0.000 -3.768) 4.180 11.872 ( 2.532 0.000 -2.996) 3.923 12.005 ( -5.372 0.000 -6.618) 8.524 12.309 ( 0.220 0.000 5.490) 5.494 12.387 ( -7.430 0.000 1.357) 7.553 13.233 ( 10.932 0.000 -3.857) 11.592 13.446 ( -10.511 0.000 -4.127) 11.292 14.753 ( 15.008 0.000 0.052) 15.008 15.025 ( -12.082 0.000 -2.020) 12.249 16.173 ( -0.260 0.000 -4.815) 4.822 16.184 ( -1.290 0.000 -4.890) 5.058 16.389 ( 5.379 0.000 -12.546) 13.650 16.450 ( 2.012 0.000 1.388) 2.444 16.477 ( -1.626 0.000 -10.428) 10.554 16.518 ( -2.850 0.000 3.264) 4.333 17.139 ( 6.901 0.000 2.121) 7.220 17.272 ( -6.482 0.000 -1.519) 6.658 17.341 ( 6.302 0.000 -6.996) 9.416 17.474 ( -7.024 0.000 -3.769) 7.972 17.672 ( 7.266 0.000 5.518) 9.124 17.777 ( 5.818 0.000 9.787) 11.386 17.781 ( -3.956 0.000 8.589) 9.456 17.929 ( -9.155 0.000 3.695) 9.873 ======================= Grid point 54 (21/75) ======================= q-point: ( 0.00 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 12.832 18.153) 22.230 0.701 ( 0.000 16.580 18.417) 24.780 1.301 ( 0.000 26.449 26.239) 37.257 1.524 ( 0.000 -1.496 13.239) 13.324 1.929 ( 0.000 -22.381 2.838) 22.561 2.451 ( 0.000 10.313 -0.333) 10.318 2.649 ( 0.000 14.851 -4.911) 15.642 2.883 ( 0.000 -8.313 0.165) 8.315 2.937 ( 0.000 4.865 -7.423) 8.875 3.242 ( 0.000 4.306 -5.471) 6.962 3.276 ( 0.000 6.640 -4.221) 7.868 3.399 ( 0.000 5.309 -2.692) 5.952 3.415 ( 0.000 -3.174 -2.224) 3.875 3.716 ( 0.000 -8.500 3.195) 9.080 3.800 ( 0.000 2.610 6.699) 7.190 3.847 ( 0.000 -17.709 8.308) 19.561 4.214 ( 0.000 -6.679 1.764) 6.908 4.222 ( 0.000 -4.530 1.011) 4.642 4.251 ( 0.000 -4.405 3.522) 5.640 4.398 ( 0.000 -6.968 6.794) 9.731 4.661 ( 0.000 6.698 4.160) 7.885 4.770 ( 0.000 8.733 -1.682) 8.893 4.776 ( 0.000 2.048 5.943) 6.286 4.888 ( 0.000 0.065 -0.246) 0.254 5.046 ( 0.000 1.330 5.414) 5.575 5.536 ( 0.000 8.639 -5.232) 10.100 5.722 ( 0.000 -13.655 2.128) 13.820 6.058 ( 0.000 12.473 -20.012) 23.581 6.584 ( 0.000 17.430 -2.588) 17.621 6.832 ( 0.000 -0.351 -1.090) 1.145 6.934 ( 0.000 -0.991 -3.601) 3.735 7.203 ( 0.000 2.085 2.204) 3.034 7.367 ( 0.000 -3.225 -3.372) 4.666 7.717 ( 0.000 -10.302 4.906) 11.410 8.041 ( 0.000 6.318 4.361) 7.677 8.109 ( 0.000 10.767 -8.944) 13.997 8.356 ( 0.000 5.525 5.756) 7.978 8.585 ( 0.000 -1.787 1.574) 2.381 8.765 ( 0.000 4.426 -0.046) 4.426 9.065 ( 0.000 -4.611 1.579) 4.874 9.345 ( 0.000 6.751 0.478) 6.768 9.543 ( 0.000 -1.092 5.429) 5.538 9.626 ( 0.000 1.610 11.849) 11.958 9.815 ( 0.000 -1.910 0.389) 1.949 10.591 ( 0.000 0.331 15.301) 15.305 10.693 ( 0.000 4.038 -6.472) 7.628 10.978 ( 0.000 -3.537 -0.668) 3.600 11.070 ( 0.000 8.274 5.461) 9.914 11.480 ( 0.000 -55.772 56.049) 79.070 11.903 ( 0.000 -11.118 -6.888) 13.078 12.063 ( 0.000 -0.681 -7.087) 7.120 12.078 ( 0.000 -10.385 1.842) 10.547 12.353 ( 0.000 2.456 0.764) 2.572 12.447 ( 0.000 4.125 0.255) 4.133 13.457 ( 0.000 9.698 -9.986) 13.920 14.072 ( 0.000 -6.452 -5.624) 8.559 14.747 ( 0.000 28.947 -17.755) 33.958 15.099 ( 0.000 0.665 -2.386) 2.477 15.808 ( 0.000 -13.412 12.357) 18.237 15.885 ( 0.000 -5.856 -3.285) 6.714 16.236 ( 0.000 0.923 -2.862) 3.007 16.329 ( 0.000 -1.939 0.387) 1.978 16.504 ( 0.000 6.234 0.837) 6.290 16.595 ( 0.000 4.049 -0.430) 4.072 16.911 ( 0.000 0.798 -4.060) 4.138 17.095 ( 0.000 -5.817 -0.525) 5.841 17.204 ( 0.000 17.814 -13.411) 22.298 17.567 ( 0.000 -3.524 -5.257) 6.329 17.764 ( 0.000 4.673 4.904) 6.774 17.925 ( 0.000 -0.172 -1.915) 1.923 18.221 ( 0.000 2.988 1.994) 3.593 18.491 ( 0.000 -2.823 -4.190) 5.052 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.11 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 15.591 14.082 11.844) 24.117 0.880 ( 15.435 13.163 12.919) 24.051 1.517 ( 19.635 17.732 20.386) 33.400 1.755 ( 18.535 -5.762 8.332) 21.123 1.947 ( 1.709 -19.170 -1.079) 19.276 2.462 ( 4.577 11.878 4.846) 13.621 2.708 ( 2.672 13.346 -1.222) 13.666 2.851 ( -1.011 -5.616 -3.412) 6.648 2.974 ( 0.911 1.158 -2.096) 2.562 3.178 ( -1.329 1.983 -4.298) 4.916 3.312 ( -2.973 6.861 1.787) 7.688 3.387 ( 0.916 0.719 -7.411) 7.502 3.446 ( -2.232 -0.152 -2.350) 3.244 3.629 ( -5.599 -2.902 -0.141) 6.308 3.785 ( 0.938 -1.230 4.543) 4.799 3.891 ( 2.338 -15.229 8.736) 17.712 4.105 ( -5.021 -3.069 -1.424) 6.055 4.198 ( -2.563 -6.633 5.495) 8.987 4.360 ( 7.276 -5.732 0.405) 9.272 4.530 ( 7.731 -2.053 0.506) 8.015 4.660 ( -1.113 1.840 4.483) 4.972 4.743 ( 2.921 6.161 1.938) 7.088 4.897 ( 4.394 4.753 1.382) 6.619 4.927 ( 2.951 -4.054 -0.347) 5.026 5.097 ( 6.353 -1.124 0.818) 6.503 5.531 ( -0.545 5.260 -4.603) 7.011 5.728 ( 0.395 -11.639 2.241) 11.860 5.946 ( -9.229 10.760 -12.438) 18.859 6.622 ( 3.583 15.511 -2.438) 16.104 6.802 ( -1.828 1.005 -0.827) 2.244 6.966 ( 2.352 -0.365 -3.689) 4.391 7.280 ( 0.955 -4.064 -4.182) 5.909 7.394 ( 9.300 3.106 4.336) 10.721 7.824 ( 9.681 -9.485 4.075) 14.153 8.099 ( 3.095 10.771 -1.476) 11.303 8.203 ( 12.095 6.013 3.824) 14.038 8.459 ( 10.881 2.191 8.933) 14.247 8.602 ( 1.881 -1.472 1.941) 3.078 8.678 ( -3.219 2.521 4.538) 6.108 9.111 ( 3.736 -7.962 1.624) 8.944 9.509 ( 4.688 6.609 0.263) 8.107 9.553 ( 3.243 2.287 2.985) 4.965 9.724 ( 6.050 -3.482 3.232) 7.692 9.825 ( 4.753 -0.212 2.189) 5.237 10.485 ( -13.516 1.661 13.080) 18.882 10.534 ( -5.595 -0.157 13.657) 14.760 10.987 ( -3.870 8.102 2.445) 9.306 11.063 ( 7.795 0.196 -0.374) 7.807 11.840 ( 6.503 -22.468 0.217) 23.391 11.947 ( 12.546 -21.702 1.254) 25.099 12.044 ( -1.448 -0.746 -6.539) 6.739 12.092 ( 4.613 -18.816 7.761) 20.870 12.335 ( -1.160 0.589 2.221) 2.574 12.451 ( 0.190 2.881 0.891) 3.022 13.342 ( -10.799 10.843 -8.970) 17.739 13.992 ( -7.601 -6.677 -5.091) 11.326 14.529 ( -9.359 29.866 -2.594) 31.406 15.311 ( 8.912 -0.700 -12.647) 15.487 15.830 ( 2.364 -17.898 5.142) 18.772 15.934 ( 3.504 -8.969 -1.847) 9.805 16.256 ( 1.923 1.638 -2.881) 3.832 16.358 ( 2.678 -1.771 -0.451) 3.242 16.511 ( 0.889 7.088 0.792) 7.187 16.598 ( 0.322 4.056 0.076) 4.070 16.961 ( 4.331 2.012 -6.090) 7.739 17.087 ( -1.020 -0.172 -3.961) 4.094 17.215 ( 2.097 9.476 -3.685) 10.381 17.554 ( -1.150 -2.916 -4.480) 5.468 17.732 ( -3.066 4.143 5.172) 7.302 17.891 ( -4.216 -1.390 0.954) 4.541 18.048 ( -9.979 8.141 8.459) 15.408 18.433 ( -5.706 -3.208 -3.115) 7.250 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.22 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 17.297 10.498 9.071) 22.173 1.229 ( 18.719 11.922 9.478) 24.132 1.870 ( 4.609 -9.134 0.569) 10.247 1.989 ( 15.576 2.647 2.695) 16.028 2.151 ( 14.622 -9.728 4.711) 18.184 2.647 ( 6.328 7.021 4.471) 10.457 2.710 ( 1.407 6.426 2.769) 7.137 2.871 ( 3.962 -0.698 -2.009) 4.497 2.963 ( -0.715 -1.376 0.624) 1.672 3.116 ( -6.775 2.766 3.706) 8.203 3.214 ( -5.464 2.168 -5.143) 7.811 3.315 ( -8.422 1.488 -0.910) 8.601 3.432 ( 5.815 13.761 -0.297) 14.942 3.624 ( 3.866 -4.300 -5.444) 7.942 3.791 ( -1.120 -5.285 3.779) 6.593 3.931 ( 1.038 -12.752 7.132) 14.648 4.042 ( -0.704 3.120 -3.955) 5.087 4.155 ( -1.508 -6.487 2.932) 7.277 4.484 ( 4.451 -2.623 -1.783) 5.466 4.567 ( -1.452 5.454 -1.324) 5.797 4.716 ( 5.914 2.776 1.677) 6.745 4.806 ( -0.019 -3.476 -0.431) 3.503 4.942 ( 3.575 1.815 1.316) 4.220 5.046 ( 8.286 0.293 2.192) 8.576 5.226 ( 5.114 -5.419 -3.678) 8.310 5.511 ( -1.656 -1.271 -4.128) 4.626 5.708 ( -5.959 2.088 -4.149) 7.555 5.760 ( -5.685 -2.216 1.323) 6.244 6.713 ( 5.242 11.124 -1.949) 12.451 6.793 ( 1.163 2.010 0.059) 2.323 7.008 ( 1.659 0.739 -2.428) 3.032 7.208 ( -5.603 -3.051 -1.704) 6.603 7.737 ( 21.824 3.034 4.766) 22.544 8.080 ( 15.855 -6.634 4.007) 17.647 8.204 ( 7.614 8.311 1.786) 11.412 8.490 ( 14.208 1.796 5.130) 15.212 8.651 ( 0.909 0.008 2.834) 2.976 8.661 ( 4.704 -0.078 3.444) 5.830 8.765 ( 17.188 1.389 9.500) 19.688 9.204 ( 5.046 -11.706 0.414) 12.754 9.464 ( -4.690 2.254 7.213) 8.894 9.632 ( -2.741 4.344 -1.924) 5.485 9.747 ( 3.728 1.040 4.857) 6.210 10.093 ( 16.793 -3.238 1.211) 17.145 10.242 ( -11.057 2.870 13.515) 17.696 10.387 ( -8.261 0.192 12.338) 14.850 10.888 ( -6.458 9.295 0.479) 11.328 11.286 ( 14.077 6.112 -1.218) 15.395 11.802 ( -4.728 -15.595 -4.671) 16.952 11.979 ( -3.174 -0.639 -6.646) 7.393 12.043 ( 0.467 -1.152 -5.755) 5.888 12.219 ( -3.013 -1.036 -1.599) 3.565 12.400 ( 0.895 -6.280 1.814) 6.598 12.513 ( 13.529 -20.045 5.965) 24.908 13.072 ( -15.378 12.916 -6.116) 20.993 13.800 ( -11.058 -7.301 -4.223) 13.907 14.481 ( 3.783 24.341 1.010) 24.654 15.374 ( -1.323 3.667 -8.733) 9.564 15.885 ( 2.642 -22.916 -1.792) 23.137 15.987 ( 1.675 -11.644 -4.806) 12.707 16.303 ( 2.734 2.888 -2.988) 4.974 16.410 ( 1.968 -0.013 -2.369) 3.080 16.547 ( 2.216 6.533 -1.668) 7.098 16.612 ( 1.356 4.553 2.454) 5.347 17.026 ( 1.030 8.353 -7.650) 11.374 17.102 ( 4.045 -2.803 -3.629) 6.114 17.294 ( 5.041 -0.135 2.753) 5.745 17.534 ( -0.583 -0.035 -2.938) 2.995 17.660 ( -3.605 1.421 7.205) 8.181 17.767 ( -6.447 0.181 4.880) 8.087 17.939 ( -2.973 5.743 5.616) 8.565 18.283 ( -8.803 -3.244 -0.842) 9.420 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.33 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 14.607 6.717 7.806) 17.873 1.593 ( 17.048 10.395 9.374) 22.058 1.906 ( 2.912 -3.619 -1.235) 4.806 2.250 ( 7.155 -10.653 4.366) 13.555 2.387 ( 9.957 1.792 2.839) 10.508 2.631 ( -3.686 -3.239 -2.093) 5.335 2.668 ( -7.303 0.003 0.764) 7.343 2.840 ( -6.731 0.563 0.417) 6.768 2.937 ( -5.556 4.968 2.645) 7.908 3.089 ( -1.359 7.337 0.021) 7.462 3.146 ( -0.265 1.288 -2.857) 3.145 3.298 ( 9.996 0.763 2.614) 10.360 3.595 ( 11.492 13.326 -1.352) 17.649 3.718 ( 4.034 -6.892 -4.069) 8.963 3.777 ( 1.072 -4.499 -1.040) 4.740 3.914 ( -1.417 -11.308 2.707) 11.714 4.043 ( -1.065 -0.636 4.857) 5.012 4.149 ( 0.937 -0.230 -8.462) 8.517 4.545 ( 1.892 9.086 -3.602) 9.955 4.576 ( 2.819 3.643 0.925) 4.698 4.725 ( -6.516 -2.158 -1.332) 6.992 4.833 ( 5.385 0.185 0.633) 5.425 5.032 ( 3.346 4.076 4.637) 7.022 5.183 ( 2.149 -6.343 -4.458) 8.046 5.307 ( 4.906 -1.840 0.589) 5.273 5.454 ( -3.970 -3.911 -5.494) 7.826 5.544 ( -5.337 2.274 -4.643) 7.430 5.706 ( -3.202 -7.264 4.240) 9.000 6.813 ( 4.315 5.434 -1.585) 7.118 6.842 ( 3.406 2.456 0.900) 4.295 7.028 ( 0.389 2.554 -0.053) 2.584 7.093 ( -5.413 -0.276 1.701) 5.681 8.200 ( 23.715 1.761 3.870) 24.093 8.374 ( 9.111 5.330 3.321) 11.065 8.432 ( 18.400 -4.411 2.851) 19.135 8.640 ( 1.087 1.366 1.707) 2.442 8.732 ( 6.750 -3.501 1.860) 7.828 8.809 ( 9.800 0.182 6.574) 11.802 9.105 ( 14.369 -0.015 7.382) 16.154 9.272 ( 0.188 -7.053 2.485) 7.480 9.353 ( -4.778 0.775 6.953) 8.472 9.488 ( -8.696 -1.548 4.778) 10.042 9.865 ( 4.208 4.744 3.387) 7.189 10.040 ( -6.173 7.561 11.339) 14.962 10.098 ( -13.411 -2.583 9.292) 16.519 10.567 ( 22.378 -6.625 0.404) 23.342 10.723 ( -9.882 9.335 0.672) 13.611 11.577 ( 11.198 4.871 -4.557) 13.034 11.686 ( -4.241 -12.406 -2.555) 13.357 11.912 ( -3.184 0.448 -5.665) 6.513 12.054 ( -1.355 1.464 -5.149) 5.522 12.119 ( -3.389 3.170 -1.806) 4.980 12.340 ( -4.758 -2.310 2.919) 6.041 12.760 ( -10.670 11.801 -2.644) 16.128 12.831 ( 11.436 -14.886 -0.051) 18.771 13.576 ( -11.253 -8.235 -3.711) 14.430 14.639 ( 11.098 17.924 0.335) 21.084 15.291 ( -6.660 6.885 -4.992) 10.802 15.925 ( 1.393 -21.783 -4.135) 22.216 16.002 ( -0.026 -14.151 -6.735) 15.672 16.362 ( 3.093 2.988 -3.069) 5.283 16.442 ( 1.528 2.587 -4.586) 5.483 16.564 ( -0.447 4.956 -2.656) 5.641 16.653 ( 2.087 6.949 1.346) 7.379 17.053 ( 2.269 3.317 -2.444) 4.704 17.200 ( 5.159 -2.800 -7.790) 9.754 17.359 ( 0.110 -0.579 0.730) 0.938 17.553 ( 2.753 1.698 -1.127) 3.425 17.595 ( -3.767 -0.790 5.106) 6.394 17.682 ( -0.487 -0.787 7.203) 7.262 17.886 ( -2.609 3.988 7.811) 9.150 18.101 ( -9.241 -2.186 1.839) 9.672 ======================= Grid point 58 (25/75) ======================= q-point: ( 0.44 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 6.253 3.899 6.565) 9.869 1.825 ( 4.696 9.944 11.399) 15.839 2.054 ( 12.205 -1.104 0.504) 12.265 2.311 ( -1.504 -5.060 3.826) 6.520 2.456 ( -7.194 3.654 2.388) 8.414 2.511 ( -6.167 -4.880 1.283) 7.968 2.573 ( 6.014 -3.260 0.686) 6.875 2.707 ( -6.987 -2.459 -0.317) 7.414 2.897 ( 2.420 7.415 1.795) 8.004 2.994 ( -6.231 9.891 0.924) 11.726 3.239 ( 7.673 -0.360 -4.647) 8.978 3.386 ( -2.311 0.027 -2.032) 3.077 3.740 ( 0.643 -5.119 -4.570) 6.893 3.788 ( 0.423 -5.337 -4.412) 6.937 3.869 ( 7.677 -5.857 0.219) 9.659 3.958 ( 0.538 -4.540 2.100) 5.031 4.022 ( 4.301 2.083 -1.734) 5.083 4.198 ( 6.488 2.958 -8.274) 10.923 4.444 ( -12.909 3.768 -4.843) 14.293 4.628 ( 0.699 4.150 8.114) 9.141 4.723 ( 7.977 8.651 -6.972) 13.678 4.903 ( -0.447 0.163 -0.193) 0.514 5.000 ( -5.344 4.526 2.158) 7.328 5.144 ( -1.242 4.562 6.179) 7.781 5.411 ( 0.182 -6.789 -5.563) 8.779 5.445 ( 5.406 -5.339 -1.268) 7.703 5.504 ( 0.959 -6.194 -4.731) 7.853 5.613 ( -5.939 -7.021 1.995) 9.410 6.872 ( 1.589 0.452 -1.497) 2.230 6.912 ( 2.917 1.644 1.051) 3.510 7.006 ( -2.946 2.798 3.415) 5.308 7.028 ( -0.345 4.963 2.494) 5.565 8.513 ( 5.593 2.030 0.971) 6.029 8.605 ( 3.843 3.206 2.366) 5.536 8.680 ( 14.790 0.450 2.977) 15.094 8.790 ( 15.025 -1.732 2.830) 15.386 8.853 ( 5.291 -5.433 3.042) 8.171 8.932 ( -0.244 -4.597 1.527) 4.850 9.093 ( -10.532 0.055 3.082) 10.974 9.140 ( -11.707 0.117 4.519) 12.549 9.473 ( 12.952 -0.555 10.677) 16.795 9.476 ( 8.656 -1.332 10.256) 13.487 9.734 ( -11.540 0.092 9.696) 15.073 9.777 ( -16.314 -0.590 10.760) 19.551 10.190 ( 13.800 11.288 2.063) 17.947 10.477 ( -13.767 10.515 0.580) 17.333 11.032 ( 22.089 -14.061 -2.061) 26.266 11.425 ( -15.441 -18.510 -3.246) 24.322 11.834 ( 2.843 5.867 -7.885) 10.232 11.885 ( 3.573 1.876 -4.666) 6.169 11.962 ( -3.728 4.715 -1.293) 6.148 12.166 ( 4.171 13.538 -4.212) 14.779 12.254 ( -2.506 -4.006 3.550) 5.910 12.521 ( -9.422 12.699 2.704) 16.042 13.102 ( 12.849 -13.054 -2.969) 18.556 13.353 ( -11.312 -9.630 -3.196) 15.196 14.883 ( 12.713 13.076 -1.033) 18.267 15.119 ( -10.565 9.625 -2.677) 14.540 15.946 ( 0.734 -17.982 -5.335) 18.771 15.992 ( -0.631 -16.954 -6.448) 18.150 16.414 ( 1.690 0.700 -2.015) 2.721 16.471 ( 1.227 3.176 -8.025) 8.718 16.543 ( -1.190 5.972 -1.159) 6.198 16.679 ( 0.537 9.378 -1.126) 9.461 17.105 ( 2.132 -2.613 -2.518) 4.209 17.298 ( 4.123 -3.867 -6.842) 8.875 17.322 ( -1.975 4.424 0.018) 4.845 17.483 ( -4.750 0.523 -3.788) 6.097 17.644 ( 3.273 -1.872 5.329) 6.527 17.738 ( 4.855 -2.745 6.443) 8.521 17.836 ( -2.284 3.620 9.782) 10.678 17.932 ( -6.949 0.159 5.589) 8.920 ======================= Grid point 63 (26/75) ======================= q-point: ( 0.00 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 16.168 13.700) 21.192 1.034 ( 0.000 12.950 8.817) 15.667 1.216 ( 0.000 -7.143 13.960) 15.682 1.508 ( 0.000 -22.741 5.973) 23.512 2.109 ( 0.000 38.868 9.242) 39.952 2.648 ( 0.000 -17.353 -3.850) 17.775 2.682 ( 0.000 15.137 3.153) 15.462 2.891 ( 0.000 8.220 -7.211) 10.935 3.012 ( 0.000 0.642 -8.857) 8.881 3.112 ( 0.000 -27.349 8.004) 28.496 3.226 ( 0.000 0.111 -6.287) 6.288 3.300 ( 0.000 -4.953 -5.230) 7.203 3.545 ( 0.000 6.003 3.297) 6.849 3.551 ( 0.000 2.976 4.188) 5.138 3.805 ( 0.000 1.744 8.483) 8.660 3.823 ( 0.000 -0.175 8.280) 8.282 4.088 ( 0.000 -4.955 1.634) 5.218 4.097 ( 0.000 -5.662 4.992) 7.548 4.219 ( 0.000 0.174 1.409) 1.420 4.271 ( 0.000 -5.528 6.631) 8.633 4.778 ( 0.000 5.463 2.065) 5.840 4.847 ( 0.000 -0.824 3.182) 3.287 4.901 ( 0.000 4.735 -2.041) 5.156 4.908 ( 0.000 4.252 -3.028) 5.221 5.089 ( 0.000 6.089 6.822) 9.144 5.332 ( 0.000 -17.555 2.517) 17.735 5.850 ( 0.000 14.057 -5.165) 14.975 6.067 ( 0.000 -8.042 -10.392) 13.140 6.860 ( 0.000 2.615 -4.803) 5.469 6.898 ( 0.000 8.609 -3.944) 9.470 6.911 ( 0.000 5.612 -3.923) 6.847 7.157 ( 0.000 -9.985 -4.659) 11.019 7.365 ( 0.000 6.072 6.498) 8.893 7.525 ( 0.000 -10.122 6.160) 11.849 8.135 ( 0.000 3.804 2.673) 4.650 8.178 ( 0.000 -0.632 -0.494) 0.802 8.474 ( 0.000 5.027 -3.048) 5.879 8.542 ( 0.000 -2.821 -0.943) 2.975 8.876 ( 0.000 6.595 -1.929) 6.872 8.981 ( 0.000 -4.788 -0.771) 4.849 9.454 ( 0.000 4.564 3.893) 5.999 9.513 ( 0.000 -2.195 5.269) 5.708 9.678 ( 0.000 4.008 8.240) 9.163 9.759 ( 0.000 -4.127 3.392) 5.342 10.629 ( 0.000 4.774 25.164) 25.612 10.789 ( 0.000 5.989 -4.616) 7.562 10.820 ( 0.000 -17.296 39.309) 42.946 10.905 ( 0.000 -7.326 1.486) 7.475 11.286 ( 0.000 14.697 2.660) 14.936 11.594 ( 0.000 -18.149 -0.318) 18.152 12.033 ( 0.000 0.359 -6.780) 6.789 12.047 ( 0.000 -0.930 -7.231) 7.291 12.411 ( 0.000 3.510 0.674) 3.574 12.465 ( 0.000 -1.694 0.412) 1.743 13.675 ( 0.000 13.012 -9.108) 15.883 13.905 ( 0.000 -11.274 -7.554) 13.571 15.043 ( 0.000 7.411 -5.753) 9.382 15.104 ( 0.000 -0.604 -1.436) 1.557 15.699 ( 0.000 0.124 4.622) 4.624 15.767 ( 0.000 -6.091 -0.886) 6.155 16.262 ( 0.000 1.728 -2.310) 2.885 16.295 ( 0.000 -1.833 -1.144) 2.160 16.618 ( 0.000 5.390 0.987) 5.480 16.661 ( 0.000 1.683 0.954) 1.934 16.889 ( 0.000 0.169 -0.384) 0.420 16.966 ( 0.000 -7.039 -0.103) 7.040 17.420 ( 0.000 6.858 -13.606) 15.236 17.507 ( 0.000 -3.428 -9.147) 9.769 17.840 ( 0.000 3.490 4.933) 6.043 17.895 ( 0.000 -2.521 2.916) 3.855 18.312 ( 0.000 5.939 -0.733) 5.985 18.417 ( 0.000 -5.073 -2.942) 5.864 ======================= Grid point 64 (27/75) ======================= q-point: ( 0.11 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 17.266 16.094 7.618) 24.803 1.153 ( 10.162 16.080 7.041) 20.283 1.397 ( 15.454 -13.331 9.430) 22.483 1.564 ( 5.146 -21.097 3.631) 22.017 2.179 ( 7.116 31.635 8.035) 33.406 2.637 ( 0.809 -16.226 -1.557) 16.321 2.733 ( 4.626 16.543 3.421) 17.515 2.909 ( -1.747 8.072 -3.638) 9.025 3.013 ( -0.976 -1.296 -4.147) 4.453 3.132 ( 4.380 -19.392 3.257) 20.145 3.231 ( 0.479 0.649 -3.512) 3.604 3.345 ( 3.504 -6.098 -6.111) 9.317 3.499 ( -2.419 4.100 2.751) 5.498 3.546 ( -4.663 -1.359 0.836) 4.928 3.778 ( 0.461 6.527 5.280) 8.407 3.846 ( 2.206 0.846 10.548) 10.809 4.042 ( -2.774 -4.848 -1.754) 5.854 4.055 ( -3.579 -6.816 4.621) 8.979 4.286 ( 6.027 1.341 5.043) 7.971 4.400 ( 9.910 -8.671 4.789) 14.012 4.753 ( -1.746 6.455 -2.182) 7.033 4.853 ( 0.597 -4.238 -2.060) 4.750 4.920 ( 2.215 9.585 -1.040) 9.892 4.983 ( 5.277 2.772 -0.171) 5.963 5.120 ( 3.126 4.287 5.612) 7.723 5.337 ( 0.317 -16.731 2.284) 16.889 5.808 ( -3.778 11.101 -3.564) 12.256 5.977 ( -8.032 -5.725 -7.963) 12.677 6.857 ( 0.019 4.287 -3.887) 5.787 6.902 ( 0.318 9.877 -3.823) 10.596 6.943 ( 2.657 1.826 -3.194) 4.538 7.151 ( -0.980 -10.158 -3.944) 10.941 7.486 ( 12.153 7.005 6.200) 15.336 7.643 ( 11.266 -9.605 5.645) 15.845 8.241 ( 8.260 4.371 -0.009) 9.345 8.274 ( 9.064 0.887 -0.408) 9.116 8.521 ( 5.895 3.478 2.252) 7.206 8.569 ( 2.918 -2.045 0.769) 3.646 8.776 ( -4.643 8.310 5.156) 10.826 8.949 ( -1.439 -9.456 2.300) 9.837 9.578 ( 1.071 2.721 4.770) 5.595 9.623 ( 9.221 -0.303 0.310) 9.231 9.695 ( 2.634 3.714 3.036) 5.472 9.787 ( 6.213 -4.042 2.224) 7.739 10.518 ( -10.896 1.571 18.211) 21.279 10.534 ( -7.992 -0.168 17.693) 19.415 11.082 ( 15.409 3.905 1.125) 15.936 11.166 ( 6.702 4.278 1.390) 8.072 11.379 ( 18.140 -9.061 12.162) 23.645 11.574 ( -1.588 -17.970 0.702) 18.054 12.028 ( -0.370 -0.046 -6.583) 6.594 12.034 ( -1.141 -0.502 -6.934) 7.045 12.389 ( -2.234 3.705 0.911) 4.421 12.450 ( -1.578 -2.375 0.838) 2.972 13.578 ( -9.204 13.786 -7.982) 18.398 13.819 ( -8.190 -11.711 -6.619) 15.749 14.950 ( -4.054 17.383 -2.382) 18.008 15.210 ( 5.957 -10.738 -5.469) 13.443 15.678 ( -1.846 1.127 2.755) 3.502 15.778 ( 0.624 -7.871 -1.614) 8.059 16.289 ( 2.525 1.946 -2.048) 3.789 16.325 ( 2.755 -1.886 -1.291) 3.580 16.634 ( 1.457 5.486 1.043) 5.771 16.669 ( 0.728 2.259 1.395) 2.752 16.933 ( 4.128 -0.929 -1.762) 4.583 16.988 ( 2.073 -6.204 -1.471) 6.704 17.404 ( -1.238 7.223 -10.756) 13.016 17.497 ( -0.800 -3.571 -7.394) 8.250 17.804 ( -3.508 3.337 4.827) 6.836 17.855 ( -3.958 -2.303 3.902) 6.016 18.211 ( -7.948 8.492 1.862) 11.780 18.346 ( -6.425 -6.096 -1.496) 8.982 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.22 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 12.487 16.078 3.954) 20.738 1.449 ( 18.164 12.128 5.465) 22.514 1.650 ( 7.405 -12.857 1.134) 14.880 1.748 ( 14.340 -17.931 4.320) 23.363 2.349 ( 8.227 17.732 3.364) 19.835 2.627 ( -2.426 -10.709 -3.006) 11.384 2.825 ( -3.676 5.952 1.243) 7.106 2.904 ( 4.096 0.606 3.274) 5.278 2.982 ( 3.931 8.448 4.086) 10.174 3.177 ( -4.830 -1.466 0.185) 5.051 3.259 ( 0.280 2.608 -3.946) 4.738 3.307 ( -2.429 -4.035 4.931) 6.819 3.475 ( 1.637 -2.587 -6.070) 6.798 3.568 ( 7.337 -8.553 -0.418) 11.276 3.796 ( -1.226 10.870 3.192) 11.395 3.850 ( -0.667 7.315 4.164) 8.444 3.957 ( -3.660 -9.755 6.809) 12.447 4.078 ( 4.533 -8.236 -6.378) 11.360 4.431 ( 8.043 3.461 7.435) 11.487 4.589 ( 7.687 -10.390 4.983) 13.852 4.725 ( -0.489 9.173 -6.843) 11.455 4.857 ( -0.109 -3.217 -6.652) 7.390 4.983 ( 4.410 9.131 -1.752) 10.290 5.091 ( 4.978 2.192 -0.455) 5.458 5.185 ( 2.639 -0.023 2.178) 3.422 5.330 ( -1.298 -13.980 0.833) 14.065 5.721 ( -4.649 4.255 0.225) 6.306 5.789 ( -10.333 -1.678 -3.678) 11.095 6.869 ( 1.149 5.375 -2.113) 5.889 6.909 ( 0.390 6.587 -3.550) 7.493 7.000 ( 2.934 0.728 -0.839) 3.137 7.116 ( -2.218 -6.888 -1.372) 7.365 7.819 ( 20.360 5.753 5.136) 21.772 7.943 ( 18.327 -7.482 4.869) 20.385 8.377 ( 6.236 8.629 -1.821) 10.801 8.485 ( 9.643 -2.938 -0.384) 10.088 8.652 ( 3.825 0.615 4.369) 5.840 8.664 ( 5.180 -0.275 5.388) 7.479 8.827 ( 12.273 5.996 8.427) 16.050 8.989 ( 6.117 -10.946 4.706) 13.393 9.522 ( -5.340 3.870 6.383) 9.178 9.600 ( -6.147 -4.312 4.906) 8.970 9.859 ( 9.207 7.921 -2.030) 12.314 9.996 ( 11.526 -6.668 -1.781) 13.434 10.314 ( -9.551 4.040 15.067) 18.291 10.372 ( -7.942 -2.015 14.449) 16.611 11.123 ( -5.589 15.517 -1.637) 16.574 11.399 ( 5.942 -6.012 -4.507) 9.580 11.550 ( 8.804 2.168 2.905) 9.521 11.845 ( 16.329 -19.444 0.449) 25.395 12.029 ( 1.068 -0.499 -6.154) 6.266 12.040 ( 5.682 -3.900 -3.415) 7.691 12.325 ( -3.811 3.259 2.258) 5.499 12.398 ( -3.565 -3.933 2.232) 5.758 13.346 ( -13.333 15.487 -5.485) 21.159 13.611 ( -11.988 -12.761 -4.821) 18.160 14.929 ( 2.125 23.300 -1.934) 23.476 15.319 ( 5.055 -16.340 -7.184) 18.552 15.627 ( -3.289 1.905 0.647) 3.856 15.777 ( -0.919 -10.802 -3.709) 11.458 16.349 ( 3.216 2.345 -2.227) 4.561 16.390 ( 3.386 -1.895 -2.574) 4.656 16.663 ( 0.962 5.260 0.820) 5.410 16.694 ( 1.921 2.573 2.837) 4.285 17.029 ( 4.174 -2.572 -6.420) 8.078 17.038 ( 3.406 -3.424 -4.453) 6.569 17.392 ( 0.542 6.851 -3.061) 7.523 17.490 ( 0.523 -3.903 -2.477) 4.652 17.713 ( -5.180 3.085 4.198) 7.346 17.755 ( -5.504 -1.427 3.974) 6.937 18.068 ( -5.970 7.514 4.527) 10.611 18.197 ( -7.980 -6.051 1.339) 10.104 ======================= Grid point 66 (29/75) ======================= q-point: ( 0.33 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 11.173 11.131 2.270) 15.934 1.791 ( 13.487 4.614 4.357) 14.905 1.794 ( 10.091 -2.089 1.311) 10.388 2.015 ( 11.830 -13.251 6.986) 19.088 2.461 ( 3.053 5.221 1.400) 6.208 2.551 ( -4.946 -4.304 -0.530) 6.578 2.731 ( -6.674 4.666 1.352) 8.254 2.812 ( -7.507 -3.479 1.662) 8.440 3.039 ( -3.815 5.599 0.408) 6.787 3.130 ( -1.232 -3.531 -1.535) 4.043 3.229 ( 4.832 9.438 1.928) 10.777 3.373 ( 2.645 1.295 1.878) 3.493 3.563 ( 5.814 -4.451 -3.781) 8.241 3.678 ( 2.400 -8.411 -0.607) 8.768 3.738 ( -2.699 1.481 2.310) 3.849 3.841 ( 0.377 -2.077 0.509) 2.171 3.989 ( 6.948 8.185 1.128) 10.796 4.172 ( 4.354 -4.317 -9.280) 11.123 4.559 ( 3.564 0.792 5.724) 6.789 4.635 ( -3.395 -4.881 -0.200) 5.949 4.779 ( 6.529 10.042 -6.029) 13.409 4.895 ( 4.358 1.275 -1.258) 4.712 5.087 ( 5.515 2.839 -3.367) 7.058 5.142 ( -0.406 4.732 -1.179) 4.894 5.239 ( 3.540 -5.640 0.567) 6.683 5.284 ( -2.859 -12.353 -2.450) 12.914 5.584 ( -9.955 2.015 0.267) 10.160 5.621 ( -5.754 -2.363 3.070) 6.936 6.891 ( 0.770 3.991 -2.023) 4.540 6.919 ( 0.592 2.408 -2.359) 3.422 7.054 ( 2.282 0.691 1.810) 2.993 7.078 ( -1.238 -1.400 1.876) 2.648 8.252 ( 22.266 3.839 3.866) 22.923 8.337 ( 20.470 -5.158 3.941) 21.475 8.504 ( 6.345 7.883 -0.319) 10.125 8.636 ( 6.036 -5.667 -1.040) 8.344 8.693 ( 1.771 3.250 4.243) 5.631 8.772 ( 4.913 -4.096 5.667) 8.546 9.114 ( 12.705 1.291 7.437) 14.778 9.162 ( 9.475 -4.169 6.820) 12.396 9.387 ( -7.234 2.524 7.611) 10.799 9.440 ( -8.914 -3.056 6.930) 11.697 9.953 ( -4.668 4.635 3.987) 7.692 10.034 ( -10.441 -4.067 6.778) 13.096 10.216 ( 4.981 10.508 7.154) 13.653 10.408 ( 14.205 -9.936 3.337) 17.653 10.969 ( -9.865 16.408 -1.246) 19.186 11.303 ( -9.265 -19.241 -3.013) 21.567 11.825 ( 9.757 10.228 -4.898) 14.960 11.915 ( -1.039 -0.826 -6.571) 6.703 12.100 ( 4.529 4.752 -4.294) 7.844 12.178 ( 0.217 1.445 -2.350) 2.767 12.287 ( -1.789 -0.735 3.883) 4.338 12.464 ( 16.497 -17.885 3.592) 24.595 13.076 ( -13.581 16.958 -2.711) 21.894 13.366 ( -12.472 -14.025 -3.205) 19.040 15.026 ( 7.201 22.776 -2.367) 24.005 15.404 ( 2.587 -7.026 -7.764) 10.786 15.556 ( -2.968 -5.260 -0.339) 6.049 15.739 ( -2.839 -13.904 -5.007) 15.048 16.408 ( 2.568 2.536 -3.233) 4.846 16.450 ( 2.568 -1.508 -5.077) 5.886 16.671 ( 0.001 5.939 1.771) 6.198 16.735 ( 1.854 0.475 3.401) 3.902 17.073 ( 1.714 0.941 -8.637) 8.856 17.129 ( 4.364 -4.321 -8.235) 10.273 17.420 ( 1.287 5.482 1.561) 5.843 17.511 ( 0.417 -4.131 0.976) 4.265 17.629 ( -2.269 2.411 2.682) 4.260 17.664 ( -2.648 -1.374 3.547) 4.635 17.967 ( -4.402 4.482 7.229) 9.577 18.045 ( -7.123 -3.777 4.490) 9.229 ======================= Grid point 67 (30/75) ======================= q-point: ( 0.44 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 4.916 9.153 1.099) 10.448 1.949 ( 6.516 -8.106 -1.884) 10.570 2.029 ( 6.053 9.974 10.169) 15.477 2.205 ( 7.005 -7.733 8.861) 13.689 2.463 ( -2.173 0.921 2.021) 3.107 2.510 ( 3.581 -2.768 1.366) 4.728 2.553 ( -9.348 5.053 2.391) 10.892 2.645 ( -8.723 -4.334 1.134) 9.806 3.048 ( 4.587 8.400 0.207) 9.573 3.174 ( 0.765 1.747 -2.106) 2.841 3.202 ( -1.634 3.645 -0.985) 4.114 3.365 ( -4.082 -4.899 -0.202) 6.380 3.662 ( 3.261 -4.493 -4.413) 7.093 3.706 ( 1.700 -6.920 -2.542) 7.566 3.727 ( 0.316 4.054 -0.180) 4.071 3.848 ( -0.192 -7.148 3.004) 7.756 4.157 ( 6.194 8.991 -7.445) 13.215 4.257 ( 5.470 -0.161 -9.033) 10.561 4.505 ( -7.901 3.613 -3.494) 9.364 4.596 ( 0.928 -5.409 0.398) 5.503 4.915 ( 4.351 10.654 -2.529) 11.783 4.991 ( 4.770 6.590 3.001) 8.671 5.084 ( -3.120 2.279 -1.307) 4.079 5.186 ( 1.191 -2.726 3.221) 4.384 5.256 ( 2.559 -5.029 -5.080) 7.593 5.337 ( 6.210 -7.991 0.768) 10.150 5.404 ( -7.630 0.637 0.409) 7.668 5.487 ( -7.570 -6.292 2.667) 10.199 6.899 ( 0.111 2.012 -2.508) 3.217 6.926 ( 0.074 -0.482 -1.786) 1.852 7.066 ( 0.032 2.990 4.131) 5.099 7.089 ( 0.894 1.050 3.669) 3.920 8.578 ( 4.139 5.221 -1.335) 6.795 8.677 ( 8.633 3.313 4.961) 10.493 8.681 ( 12.554 -2.149 -1.169) 12.790 8.727 ( 4.046 -5.099 2.802) 7.086 8.771 ( 11.501 0.764 3.375) 12.010 8.842 ( 1.960 -5.208 3.913) 6.802 9.102 ( -11.213 0.925 4.574) 12.145 9.125 ( -12.293 -1.360 4.871) 13.293 9.460 ( 12.393 0.091 11.403) 16.841 9.468 ( 12.408 -0.483 11.084) 16.645 9.741 ( -13.259 0.675 9.506) 16.329 9.759 ( -15.187 -1.161 10.185) 18.323 10.448 ( 14.635 15.662 0.532) 21.442 10.733 ( -9.457 12.749 -1.103) 15.912 10.747 ( 13.531 -12.340 -0.669) 18.325 11.070 ( -14.143 -19.229 -2.101) 23.963 11.897 ( -0.440 2.146 -7.112) 7.442 11.920 ( 1.808 0.227 -7.877) 8.085 12.058 ( -2.885 5.723 -0.134) 6.411 12.163 ( -2.473 -5.426 0.643) 5.998 12.461 ( 14.082 17.865 -0.359) 22.751 12.799 ( 9.791 -10.690 -1.032) 14.533 12.811 ( -7.236 9.484 0.257) 11.932 13.115 ( -12.766 -15.431 -1.382) 20.075 15.191 ( 8.780 19.323 -2.984) 21.433 15.354 ( -6.763 14.928 -4.242) 16.928 15.576 ( 3.985 -20.726 -4.167) 21.513 15.668 ( -4.149 -17.599 -5.243) 18.826 16.445 ( 0.979 2.479 -4.428) 5.168 16.487 ( 1.011 -1.392 -7.074) 7.280 16.668 ( -0.182 6.921 2.999) 7.545 16.760 ( 0.673 -1.471 3.592) 3.940 17.102 ( 0.975 3.482 -8.960) 9.662 17.202 ( 2.497 -6.015 -8.762) 10.918 17.417 ( -0.979 4.779 0.548) 4.909 17.477 ( -2.269 -1.606 -1.979) 3.412 17.632 ( 1.198 0.970 3.753) 4.057 17.677 ( 2.428 -3.472 3.585) 5.550 17.896 ( -2.477 2.563 9.668) 10.304 17.927 ( -3.948 -0.872 8.308) 9.240 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 0.000 21.265) 21.265 1.004 ( 0.000 0.000 23.374) 23.374 1.670 ( 0.000 0.000 25.406) 25.406 1.986 ( 0.000 0.000 27.847) 27.847 2.149 ( 0.000 0.000 -9.853) 9.853 2.319 ( 0.000 0.000 -0.468) 0.468 2.496 ( 0.000 0.000 11.128) 11.128 2.727 ( 0.000 0.000 -8.933) 8.933 2.910 ( 0.000 0.000 -14.978) 14.978 3.147 ( 0.000 0.000 6.780) 6.780 3.202 ( 0.000 0.000 6.333) 6.333 3.252 ( 0.000 0.000 -4.919) 4.919 3.317 ( 0.000 0.000 -8.228) 8.228 3.861 ( 0.000 0.000 7.762) 7.762 3.882 ( 0.000 0.000 6.719) 6.719 4.131 ( 0.000 0.000 -4.683) 4.683 4.203 ( 0.000 0.000 -2.765) 2.765 4.454 ( 0.000 0.000 -0.679) 0.679 4.470 ( 0.000 0.000 8.272) 8.272 4.486 ( 0.000 0.000 15.736) 15.736 4.623 ( 0.000 0.000 -1.845) 1.845 4.762 ( 0.000 0.000 -2.562) 2.562 4.832 ( 0.000 0.000 12.801) 12.801 5.017 ( 0.000 0.000 7.249) 7.249 5.090 ( 0.000 0.000 4.138) 4.138 5.296 ( 0.000 0.000 -7.347) 7.347 5.639 ( 0.000 0.000 -6.640) 6.640 5.933 ( 0.000 0.000 -1.750) 1.750 6.317 ( 0.000 0.000 -1.341) 1.341 6.858 ( 0.000 0.000 -4.902) 4.902 6.874 ( 0.000 0.000 0.151) 0.151 7.190 ( 0.000 0.000 -11.425) 11.425 7.297 ( 0.000 0.000 6.343) 6.343 7.850 ( 0.000 0.000 -2.765) 2.765 8.009 ( 0.000 0.000 4.570) 4.570 8.133 ( 0.000 0.000 10.384) 10.384 8.612 ( 0.000 0.000 18.954) 18.954 8.676 ( 0.000 0.000 4.655) 4.655 8.764 ( 0.000 0.000 3.032) 3.032 9.206 ( 0.000 0.000 0.715) 0.715 9.346 ( 0.000 0.000 15.770) 15.770 9.717 ( 0.000 0.000 11.495) 11.495 9.823 ( 0.000 0.000 -0.644) 0.644 9.893 ( 0.000 0.000 15.140) 15.140 10.476 ( 0.000 0.000 -10.964) 10.964 10.908 ( 0.000 0.000 18.798) 18.798 10.982 ( 0.000 0.000 -2.807) 2.807 11.155 ( 0.000 0.000 9.744) 9.744 11.689 ( 0.000 0.000 -16.889) 16.889 11.861 ( 0.000 0.000 -14.298) 14.298 12.167 ( 0.000 0.000 -2.701) 2.701 12.218 ( 0.000 0.000 -5.357) 5.357 12.354 ( 0.000 0.000 1.869) 1.869 13.007 ( 0.000 0.000 -14.573) 14.573 13.094 ( 0.000 0.000 9.578) 9.578 14.005 ( 0.000 0.000 -8.028) 8.028 14.181 ( 0.000 0.000 9.644) 9.644 14.998 ( 0.000 0.000 -6.073) 6.073 15.866 ( 0.000 0.000 -3.248) 3.248 16.067 ( 0.000 0.000 -4.175) 4.175 16.261 ( 0.000 0.000 0.461) 0.461 16.384 ( 0.000 0.000 -0.138) 0.138 16.414 ( 0.000 0.000 -2.084) 2.084 16.426 ( 0.000 0.000 -0.081) 0.081 16.757 ( 0.000 0.000 3.668) 3.668 17.158 ( 0.000 0.000 2.107) 2.107 17.221 ( 0.000 0.000 11.707) 11.707 17.495 ( 0.000 0.000 -8.179) 8.179 17.822 ( 0.000 0.000 -5.913) 5.913 17.835 ( 0.000 0.000 7.718) 7.718 18.218 ( 0.000 0.000 0.432) 0.432 18.391 ( 0.000 0.000 -8.116) 8.116 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.11 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 12.067 0.000 19.691) 23.095 1.124 ( 11.313 0.000 21.620) 24.401 1.803 ( 12.089 0.000 20.147) 23.496 2.019 ( -7.265 0.000 -5.609) 9.179 2.143 ( 13.444 0.000 18.038) 22.497 2.478 ( 9.851 0.000 -1.651) 9.988 2.577 ( 8.263 0.000 10.640) 13.471 2.737 ( 0.489 0.000 -8.388) 8.402 2.966 ( 3.360 0.000 -13.550) 13.960 3.136 ( -1.265 0.000 6.981) 7.095 3.225 ( 2.374 0.000 4.967) 5.505 3.229 ( -2.582 0.000 -6.534) 7.026 3.335 ( 1.666 0.000 -7.734) 7.911 3.720 ( -11.686 0.000 7.818) 14.060 3.825 ( -4.119 0.000 1.938) 4.552 4.161 ( 1.790 0.000 -1.390) 2.266 4.165 ( -4.267 0.000 0.795) 4.340 4.356 ( -7.816 0.000 -5.319) 9.454 4.404 ( -2.175 0.000 8.791) 9.056 4.571 ( 5.796 0.000 12.055) 13.376 4.694 ( 3.133 0.000 2.046) 3.742 4.851 ( 6.802 0.000 0.008) 6.802 4.915 ( 6.137 0.000 7.648) 9.805 4.990 ( -7.509 0.000 -0.357) 7.517 5.067 ( 6.538 0.000 0.712) 6.577 5.360 ( 3.815 0.000 -4.468) 5.875 5.595 ( -4.358 0.000 -6.212) 7.588 5.922 ( -1.205 0.000 -1.687) 2.073 6.395 ( 7.179 0.000 -0.903) 7.235 6.834 ( -2.571 0.000 0.988) 2.754 6.879 ( 2.049 0.000 -4.596) 5.032 7.193 ( 0.101 0.000 -9.238) 9.238 7.442 ( 14.137 0.000 6.015) 15.364 7.940 ( 8.705 0.000 -1.800) 8.889 8.072 ( 6.426 0.000 5.994) 8.787 8.323 ( 16.274 0.000 10.293) 19.256 8.681 ( 2.542 0.000 6.971) 7.420 8.731 ( -1.931 0.000 4.399) 4.804 8.731 ( 9.740 0.000 15.689) 18.466 9.319 ( 8.423 0.000 -1.803) 8.614 9.369 ( 1.837 0.000 12.427) 12.562 9.724 ( -0.605 0.000 11.902) 11.917 9.846 ( 2.243 0.000 2.107) 3.077 9.948 ( 7.014 0.000 12.057) 13.948 10.471 ( -1.056 0.000 -6.879) 6.960 10.824 ( -6.903 0.000 14.824) 16.353 11.048 ( 5.306 0.000 0.069) 5.306 11.060 ( -8.432 0.000 10.344) 13.345 11.702 ( 1.204 0.000 -16.261) 16.305 11.842 ( -1.793 0.000 -13.783) 13.899 12.092 ( -5.173 0.000 -3.097) 6.030 12.208 ( -1.342 0.000 -5.634) 5.792 12.422 ( 4.152 0.000 1.867) 4.553 12.938 ( -6.785 0.000 -13.084) 14.739 12.989 ( -7.283 0.000 10.340) 12.647 13.934 ( -6.833 0.000 -7.716) 10.307 14.204 ( 2.794 0.000 9.199) 9.614 15.082 ( 5.700 0.000 -9.879) 11.405 15.887 ( 2.056 0.000 -4.741) 5.168 16.102 ( 2.767 0.000 -6.371) 6.946 16.253 ( -0.668 0.000 -1.135) 1.317 16.267 ( -5.943 0.000 -2.166) 6.326 16.429 ( 0.346 0.000 0.827) 0.896 16.522 ( 5.063 0.000 -0.209) 5.068 16.801 ( 4.251 0.000 2.474) 4.918 17.128 ( -1.131 0.000 4.228) 4.377 17.306 ( 6.537 0.000 9.143) 11.239 17.459 ( -3.244 0.000 -8.187) 8.807 17.819 ( -0.897 0.000 -5.449) 5.522 17.840 ( 0.577 0.000 8.422) 8.442 18.121 ( -7.328 0.000 3.491) 8.117 18.365 ( -3.022 0.000 -6.038) 6.752 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.22 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 17.184 0.000 16.643) 23.923 1.408 ( 16.226 0.000 18.454) 24.573 1.927 ( -1.595 0.000 -1.647) 2.292 2.081 ( 14.400 0.000 9.164) 17.068 2.411 ( 12.139 0.000 3.941) 12.763 2.610 ( 1.560 0.000 3.891) 4.192 2.742 ( 1.000 0.000 -6.682) 6.757 2.764 ( 5.208 0.000 1.644) 5.462 3.018 ( 4.350 0.000 -2.542) 5.038 3.096 ( -2.812 0.000 5.330) 6.026 3.127 ( -7.476 0.000 -5.791) 9.456 3.293 ( 4.148 0.000 0.744) 4.215 3.363 ( -2.099 0.000 4.849) 5.284 3.565 ( 3.022 0.000 -2.461) 3.897 3.761 ( -2.193 0.000 -2.806) 3.561 4.036 ( -7.966 0.000 2.309) 8.294 4.150 ( -5.423 0.000 0.915) 5.499 4.217 ( -2.957 0.000 -11.185) 11.569 4.375 ( -1.717 0.000 7.218) 7.419 4.669 ( -0.116 0.000 10.953) 10.953 4.749 ( 7.957 0.000 6.168) 10.068 4.831 ( -7.953 0.000 -4.007) 8.905 4.981 ( 4.988 0.000 0.749) 5.044 5.077 ( 9.795 0.000 -0.799) 9.827 5.217 ( 6.832 0.000 -4.865) 8.387 5.392 ( -1.655 0.000 -4.688) 4.972 5.479 ( -6.138 0.000 -3.873) 7.258 5.884 ( -2.596 0.000 -1.441) 2.969 6.568 ( 9.483 0.000 0.332) 9.489 6.818 ( 1.241 0.000 1.610) 2.033 6.929 ( 2.636 0.000 -3.286) 4.213 7.180 ( -1.693 0.000 -3.923) 4.273 7.816 ( 22.345 0.000 5.932) 23.119 8.172 ( 13.674 0.000 0.052) 13.674 8.257 ( 12.071 0.000 7.987) 14.474 8.638 ( 9.709 0.000 7.870) 12.498 8.737 ( 6.179 0.000 6.921) 9.278 8.739 ( 4.066 0.000 4.651) 6.178 9.016 ( 17.380 0.000 16.411) 23.904 9.392 ( -0.019 0.000 5.453) 5.453 9.463 ( 5.855 0.000 0.220) 5.859 9.663 ( -5.439 0.000 12.065) 13.234 9.903 ( 3.021 0.000 7.508) 8.093 10.196 ( 16.510 0.000 3.906) 16.966 10.407 ( -5.085 0.000 5.068) 7.180 10.643 ( -11.444 0.000 14.024) 18.101 10.874 ( -9.407 0.000 7.326) 11.923 11.193 ( 9.419 0.000 -1.928) 9.615 11.728 ( 1.186 0.000 -14.484) 14.532 11.798 ( -2.381 0.000 -12.115) 12.347 11.996 ( -4.336 0.000 -4.291) 6.100 12.146 ( -5.486 0.000 -6.694) 8.655 12.469 ( 0.456 0.000 3.323) 3.354 12.755 ( -10.826 0.000 -8.101) 13.522 12.908 ( -0.069 0.000 5.208) 5.209 13.757 ( -10.378 0.000 -7.234) 12.651 14.309 ( 7.929 0.000 7.113) 10.652 15.149 ( 0.629 0.000 -10.088) 10.108 15.944 ( 3.505 0.000 -8.116) 8.841 16.139 ( 0.304 0.000 -7.030) 7.037 16.167 ( -4.048 0.000 -3.482) 5.339 16.243 ( -0.192 0.000 -6.672) 6.675 16.442 ( 1.047 0.000 2.380) 2.601 16.594 ( 2.207 0.000 0.976) 2.413 16.907 ( 5.842 0.000 -0.452) 5.859 17.129 ( 1.280 0.000 3.987) 4.188 17.381 ( -4.379 0.000 -7.521) 8.703 17.453 ( 7.942 0.000 8.064) 11.319 17.750 ( -6.480 0.000 -4.254) 7.752 17.865 ( 2.070 0.000 9.826) 10.042 18.013 ( -2.762 0.000 6.005) 6.610 18.273 ( -5.936 0.000 -2.425) 6.412 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.33 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 16.164 0.000 15.144) 22.150 1.734 ( 15.707 0.000 15.393) 21.992 1.956 ( 4.457 0.000 2.529) 5.125 2.336 ( 10.514 0.000 1.511) 10.622 2.561 ( -4.003 0.000 6.015) 7.225 2.595 ( 4.496 0.000 -0.645) 4.542 2.708 ( -7.260 0.000 -3.271) 7.963 2.763 ( -0.416 0.000 -1.981) 2.024 2.972 ( -6.960 0.000 3.781) 7.921 3.022 ( -2.708 0.000 -5.415) 6.054 3.024 ( -4.399 0.000 3.168) 5.421 3.356 ( 0.980 0.000 -3.512) 3.646 3.506 ( 16.865 0.000 7.984) 18.660 3.725 ( -1.816 0.000 -6.053) 6.320 3.744 ( 7.505 0.000 -5.847) 9.514 3.909 ( -0.757 0.000 -2.089) 2.222 4.014 ( -5.612 0.000 -3.813) 6.785 4.204 ( -0.159 0.000 -7.330) 7.332 4.315 ( -3.969 0.000 4.384) 5.913 4.663 ( -9.243 0.000 -5.830) 10.929 4.670 ( 0.983 0.000 8.755) 8.810 4.932 ( 9.219 0.000 6.362) 11.201 5.002 ( -4.557 0.000 -3.660) 5.845 5.276 ( 9.109 0.000 -6.961) 11.464 5.295 ( -4.767 0.000 2.373) 5.325 5.328 ( 5.295 0.000 -2.505) 5.857 5.407 ( -2.366 0.000 -5.045) 5.573 5.812 ( -4.948 0.000 -1.274) 5.110 6.748 ( 8.237 0.000 1.374) 8.351 6.877 ( 4.303 0.000 2.186) 4.827 6.968 ( 0.953 0.000 -1.346) 1.649 7.129 ( -3.210 0.000 1.129) 3.403 8.283 ( 23.748 0.000 5.593) 24.398 8.412 ( 9.853 0.000 4.764) 10.944 8.557 ( 17.169 0.000 4.809) 17.830 8.677 ( -0.391 0.000 4.216) 4.234 8.849 ( 6.975 0.000 4.433) 8.264 8.953 ( 9.345 0.000 7.547) 12.012 9.296 ( 0.273 0.000 9.836) 9.840 9.430 ( 12.821 0.000 8.667) 15.476 9.514 ( -9.226 0.000 11.527) 14.765 9.570 ( 5.609 0.000 6.235) 8.387 9.966 ( 4.134 0.000 8.541) 9.489 10.202 ( -10.629 0.000 9.465) 14.232 10.376 ( -15.115 0.000 13.255) 20.104 10.577 ( 5.903 0.000 -1.045) 5.995 10.744 ( 6.377 0.000 6.677) 9.233 11.404 ( 10.534 0.000 -5.014) 11.666 11.737 ( -0.570 0.000 -11.611) 11.625 11.760 ( -0.994 0.000 -9.095) 9.149 11.927 ( -2.506 0.000 -5.186) 5.760 11.971 ( -12.103 0.000 -7.517) 14.247 12.452 ( -1.838 0.000 4.433) 4.799 12.554 ( -8.544 0.000 -1.351) 8.650 12.977 ( 6.421 0.000 -1.181) 6.529 13.544 ( -10.758 0.000 -7.060) 12.868 14.511 ( 11.927 0.000 3.827) 12.526 15.109 ( -4.559 0.000 -6.954) 8.315 16.020 ( 3.988 0.000 -11.303) 11.986 16.107 ( -1.890 0.000 -4.662) 5.031 16.118 ( -1.824 0.000 -5.364) 5.665 16.234 ( -1.166 0.000 -12.444) 12.499 16.473 ( 2.114 0.000 3.195) 3.831 16.611 ( -0.498 0.000 1.902) 1.967 17.020 ( 5.501 0.000 -2.965) 6.249 17.179 ( 3.641 0.000 2.725) 4.548 17.295 ( -4.204 0.000 -5.898) 7.243 17.588 ( -8.991 0.000 -3.165) 9.532 17.613 ( 8.189 0.000 6.776) 10.629 17.919 ( 3.167 0.000 10.534) 10.999 17.984 ( -1.311 0.000 6.216) 6.352 18.144 ( -6.606 0.000 1.545) 6.785 ======================= Grid point 94 (35/75) ======================= q-point: ( 0.44 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 8.606 0.000 15.093) 17.374 1.947 ( 3.918 0.000 13.190) 13.760 2.133 ( 13.460 0.000 5.749) 14.637 2.387 ( -8.936 0.000 1.520) 9.064 2.510 ( -0.288 0.000 4.024) 4.035 2.570 ( -5.635 0.000 0.062) 5.636 2.614 ( 3.772 0.000 0.862) 3.870 2.712 ( -4.336 0.000 0.092) 4.337 2.887 ( -0.901 0.000 4.274) 4.368 2.931 ( -4.391 0.000 2.960) 5.296 3.109 ( 9.586 0.000 -7.684) 12.285 3.295 ( -7.285 0.000 -6.801) 9.966 3.693 ( -0.691 0.000 -8.611) 8.639 3.714 ( -2.245 0.000 -5.366) 5.816 3.840 ( 11.869 0.000 -0.280) 11.872 3.956 ( -1.469 0.000 0.369) 1.515 4.076 ( 8.898 0.000 -1.143) 8.972 4.179 ( -3.071 0.000 -5.741) 6.510 4.277 ( 3.244 0.000 -4.945) 5.914 4.458 ( -11.245 0.000 -7.549) 13.544 4.710 ( 3.522 0.000 4.764) 5.925 4.836 ( -9.160 0.000 -1.611) 9.301 5.098 ( 7.418 0.000 6.562) 9.904 5.219 ( -4.526 0.000 6.593) 7.997 5.360 ( 1.517 0.000 -9.012) 9.139 5.376 ( -0.671 0.000 -7.191) 7.222 5.502 ( 9.963 0.000 -0.352) 9.969 5.683 ( -8.021 0.000 -1.037) 8.088 6.884 ( 5.317 0.000 1.073) 5.425 6.958 ( -2.128 0.000 0.142) 2.133 6.971 ( 4.799 0.000 3.462) 5.917 7.058 ( -3.935 0.000 3.642) 5.362 8.567 ( 5.783 0.000 5.094) 7.706 8.642 ( -0.915 0.000 5.592) 5.667 8.728 ( 17.332 0.000 2.131) 17.463 8.857 ( 9.588 0.000 2.153) 9.826 9.003 ( 7.261 0.000 2.728) 7.757 9.046 ( 0.040 0.000 3.681) 3.682 9.166 ( -7.031 0.000 10.087) 12.296 9.295 ( -12.236 0.000 11.096) 16.518 9.723 ( 12.759 0.000 14.423) 19.257 9.735 ( 11.127 0.000 13.278) 17.324 9.979 ( -10.996 0.000 12.947) 16.986 10.021 ( -10.626 0.000 13.674) 17.318 10.157 ( 6.488 0.000 3.924) 7.582 10.402 ( -13.252 0.000 1.205) 13.307 11.137 ( 21.937 0.000 -2.392) 22.067 11.482 ( -8.137 0.000 -8.479) 11.752 11.714 ( -1.087 0.000 -8.975) 9.041 11.736 ( -5.926 0.000 -6.772) 8.999 11.795 ( 4.047 0.000 -4.823) 6.296 11.881 ( -3.049 0.000 -5.660) 6.429 12.414 ( -1.224 0.000 5.057) 5.203 12.433 ( -3.493 0.000 3.202) 4.739 13.139 ( 9.396 0.000 -5.153) 10.716 13.336 ( -10.256 0.000 -6.743) 12.274 14.757 ( 12.200 0.000 0.348) 12.205 14.972 ( -9.122 0.000 -3.236) 9.679 16.068 ( 0.421 0.000 -6.221) 6.236 16.084 ( -1.384 0.000 -5.115) 5.299 16.121 ( 3.494 0.000 -12.604) 13.079 16.191 ( -3.076 0.000 -14.417) 14.742 16.524 ( 2.881 0.000 3.163) 4.278 16.580 ( -2.447 0.000 2.653) 3.609 17.124 ( 4.924 0.000 -3.647) 6.128 17.213 ( -4.133 0.000 -4.208) 5.899 17.273 ( 5.913 0.000 -0.016) 5.913 17.414 ( -8.231 0.000 -2.358) 8.562 17.775 ( 8.004 0.000 5.324) 9.613 17.919 ( -5.833 0.000 4.746) 7.520 17.981 ( 2.898 0.000 9.889) 10.305 18.039 ( -3.534 0.000 7.136) 7.963 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 9.025 19.907) 21.857 1.101 ( 0.000 8.681 20.882) 22.615 1.711 ( 0.000 -6.236 15.127) 16.362 1.931 ( 0.000 9.288 21.971) 23.853 1.940 ( 0.000 -16.920 -2.268) 17.072 2.500 ( 0.000 14.858 7.351) 16.577 2.633 ( 0.000 9.642 3.407) 10.226 2.785 ( 0.000 5.714 -7.219) 9.207 2.807 ( 0.000 -10.166 -6.926) 12.301 3.146 ( 0.000 -4.318 -4.096) 5.952 3.170 ( 0.000 2.104 -7.389) 7.683 3.376 ( 0.000 4.272 -1.062) 4.402 3.396 ( 0.000 11.781 2.469) 12.037 3.814 ( 0.000 -10.983 5.799) 12.420 3.935 ( 0.000 4.302 6.414) 7.723 3.981 ( 0.000 -5.990 4.491) 7.486 4.179 ( 0.000 -1.419 -2.397) 2.786 4.332 ( 0.000 -9.478 9.456) 13.388 4.396 ( 0.000 -6.899 8.322) 10.810 4.485 ( 0.000 -3.464 3.089) 4.641 4.712 ( 0.000 7.250 -4.151) 8.354 4.791 ( 0.000 2.720 -2.187) 3.490 4.823 ( 0.000 0.785 11.020) 11.048 4.971 ( 0.000 -2.087 6.015) 6.366 5.167 ( 0.000 4.444 7.504) 8.721 5.417 ( 0.000 9.120 -6.988) 11.489 5.751 ( 0.000 8.859 -12.474) 15.299 5.757 ( 0.000 -12.026 1.767) 12.155 6.520 ( 0.000 15.993 -3.746) 16.426 6.811 ( 0.000 -4.769 -1.567) 5.020 6.843 ( 0.000 -1.560 -5.081) 5.315 7.155 ( 0.000 -3.521 -8.067) 8.802 7.371 ( 0.000 6.109 4.444) 7.554 7.788 ( 0.000 -6.057 1.164) 6.168 8.040 ( 0.000 2.727 0.146) 2.730 8.134 ( 0.000 -0.192 4.140) 4.144 8.619 ( 0.000 0.662 17.647) 17.659 8.662 ( 0.000 -1.200 6.680) 6.787 8.810 ( 0.000 4.910 4.530) 6.680 9.142 ( 0.000 -4.668 6.069) 7.657 9.444 ( 0.000 7.713 10.522) 13.046 9.707 ( 0.000 -1.093 11.548) 11.599 9.821 ( 0.000 -0.299 0.149) 0.334 9.879 ( 0.000 -1.531 13.511) 13.597 10.523 ( 0.000 5.005 -10.714) 11.825 10.935 ( 0.000 -5.007 -3.949) 6.377 10.968 ( 0.000 6.692 20.636) 21.694 11.213 ( 0.000 6.273 9.541) 11.418 11.680 ( 0.000 -1.995 -14.501) 14.637 11.854 ( 0.000 -0.632 -14.123) 14.137 11.888 ( 0.000 -17.034 -1.372) 17.089 12.328 ( 0.000 -15.230 9.497) 17.949 12.375 ( 0.000 2.148 1.566) 2.659 12.490 ( 0.000 -16.793 8.825) 18.970 13.240 ( 0.000 9.288 -9.731) 13.452 13.923 ( 0.000 -8.474 -9.121) 12.450 14.557 ( 0.000 25.902 -3.212) 26.100 15.025 ( 0.000 2.345 -5.135) 5.645 15.827 ( 0.000 -3.681 -2.142) 4.259 15.974 ( 0.000 -10.266 5.041) 11.437 16.171 ( 0.000 -0.740 -3.101) 3.188 16.331 ( 0.000 -3.342 -0.248) 3.351 16.506 ( 0.000 5.923 -0.858) 5.985 16.545 ( 0.000 7.390 -4.004) 8.405 16.827 ( 0.000 4.728 -0.754) 4.788 17.105 ( 0.000 -5.521 1.873) 5.830 17.222 ( 0.000 1.199 8.031) 8.120 17.452 ( 0.000 -3.867 -6.390) 7.469 17.840 ( 0.000 1.584 -6.064) 6.267 17.859 ( 0.000 1.860 4.379) 4.757 18.253 ( 0.000 3.300 1.270) 3.536 18.383 ( 0.000 -0.788 -6.291) 6.340 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.11 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 11.789 8.974 18.160) 23.437 1.200 ( 9.542 6.703 18.624) 21.973 1.840 ( 8.684 -8.884 9.877) 15.871 1.894 ( 0.709 -6.691 0.888) 6.787 2.052 ( 9.262 2.528 15.319) 18.079 2.597 ( 7.925 9.742 5.327) 13.641 2.690 ( 4.728 8.344 1.007) 9.643 2.764 ( 1.373 1.759 -2.149) 3.098 2.890 ( 4.259 -4.020 -6.344) 8.633 3.096 ( -3.134 -3.939 -4.447) 6.717 3.226 ( 3.450 1.860 -7.619) 8.568 3.347 ( -1.926 3.320 1.112) 3.996 3.406 ( -0.184 9.903 -0.097) 9.905 3.718 ( -8.841 -1.497 7.676) 11.804 3.839 ( -4.277 -0.872 0.534) 4.397 4.039 ( 1.254 -5.991 4.193) 7.419 4.129 ( -3.675 -4.216 4.117) 6.945 4.315 ( -5.247 -5.236 4.247) 8.543 4.376 ( 2.493 -3.244 2.543) 4.817 4.546 ( 3.555 -1.121 4.403) 5.769 4.751 ( 1.988 4.892 -0.687) 5.325 4.794 ( 4.376 -5.303 5.060) 8.537 4.919 ( 0.979 1.702 2.268) 3.000 4.947 ( 2.494 -3.088 1.871) 4.388 5.134 ( -1.693 5.995 3.016) 6.922 5.448 ( 2.000 5.240 -3.591) 6.660 5.674 ( -4.644 3.395 -9.067) 10.738 5.806 ( 1.369 -5.226 -0.408) 5.417 6.562 ( 4.166 13.862 -3.326) 14.852 6.782 ( -1.046 -2.726 -1.652) 3.354 6.889 ( 3.143 -0.605 -3.527) 4.763 7.161 ( 0.354 -3.610 -7.742) 8.550 7.500 ( 12.975 5.461 5.774) 15.215 7.884 ( 9.171 -5.587 1.044) 10.789 8.104 ( 6.761 3.156 2.001) 7.725 8.306 ( 14.344 -2.135 4.532) 15.194 8.679 ( 3.396 0.141 8.675) 9.317 8.719 ( 5.869 -0.535 11.410) 12.842 8.788 ( 1.574 5.172 9.996) 11.364 9.195 ( 3.953 -7.250 6.885) 10.752 9.520 ( 5.836 9.630 4.830) 12.253 9.724 ( 0.123 0.067 11.585) 11.586 9.820 ( 0.874 -2.315 4.332) 4.989 9.930 ( 6.075 -2.263 9.108) 11.179 10.517 ( -1.140 4.836 -6.320) 8.039 10.833 ( -7.083 -0.519 10.650) 12.801 11.056 ( 3.188 3.116 4.290) 6.187 11.134 ( -4.080 7.044 10.479) 13.270 11.679 ( -0.260 -3.723 -13.421) 13.930 11.829 ( -1.955 -2.438 -12.801) 13.176 11.904 ( 0.616 -10.620 -5.556) 12.001 12.258 ( -3.759 -4.410 1.476) 5.980 12.464 ( 1.446 1.951 0.355) 2.455 12.502 ( 4.912 -24.284 13.642) 28.283 13.147 ( -8.620 10.395 -8.764) 16.099 13.855 ( -6.602 -8.264 -8.564) 13.610 14.508 ( -2.644 23.387 0.703) 23.546 15.103 ( 5.429 1.503 -9.180) 10.770 15.809 ( -1.162 -6.608 -3.457) 7.548 15.972 ( -1.148 -12.671 3.093) 13.094 16.186 ( 1.854 2.614 -3.969) 5.101 16.342 ( 0.993 -1.294 -1.347) 2.116 16.487 ( -1.046 6.720 -2.428) 7.221 16.591 ( 3.370 5.560 -0.705) 6.540 16.858 ( 2.776 3.595 -1.854) 4.906 17.092 ( -0.609 -4.242 2.666) 5.047 17.273 ( 4.092 -1.075 6.242) 7.540 17.452 ( 0.273 -1.689 -5.234) 5.507 17.816 ( -1.623 0.505 -2.008) 2.631 17.852 ( -1.623 0.678 1.709) 2.452 18.174 ( -5.953 4.751 3.968) 8.588 18.355 ( -3.121 -1.065 -4.303) 5.422 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.22 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 15.246 6.943 16.445) 23.475 1.461 ( 16.250 4.939 13.803) 21.886 1.851 ( 0.599 -7.491 -0.369) 7.524 2.116 ( 12.824 -3.388 7.714) 15.344 2.262 ( 10.928 -2.549 6.213) 12.826 2.671 ( -0.888 -1.691 -2.999) 3.556 2.745 ( -0.857 2.643 -0.177) 2.784 2.852 ( 3.189 9.312 -1.827) 10.011 3.008 ( 8.505 -1.959 5.756) 10.455 3.052 ( 0.064 0.071 -6.011) 6.011 3.180 ( -7.255 2.624 -1.144) 7.799 3.365 ( -4.150 6.784 3.808) 8.818 3.411 ( 7.554 -0.609 -3.643) 8.408 3.563 ( -3.213 5.491 3.487) 7.255 3.805 ( 0.067 0.852 -4.342) 4.425 3.957 ( -7.150 -5.758 -0.589) 9.199 4.087 ( -3.036 -4.568 5.545) 7.799 4.220 ( -3.723 -4.438 2.156) 6.181 4.392 ( -0.121 5.194 -3.717) 6.388 4.641 ( 4.585 -4.003 7.963) 10.023 4.768 ( 0.911 1.926 1.360) 2.528 4.822 ( -3.485 0.285 2.489) 4.292 4.967 ( 7.871 -4.757 1.486) 9.316 5.037 ( 3.213 -4.650 -3.064) 6.429 5.153 ( 3.721 2.781 -3.169) 5.623 5.454 ( -2.199 -1.128 -2.104) 3.246 5.570 ( -5.352 8.672 -6.844) 12.276 5.807 ( -1.207 -5.778 0.882) 5.968 6.675 ( 6.651 9.573 -1.439) 11.745 6.791 ( 2.009 -0.741 -0.518) 2.203 6.958 ( 3.645 1.381 -2.181) 4.467 7.156 ( -1.074 -2.774 -3.672) 4.726 7.853 ( 21.401 3.753 6.206) 22.597 8.133 ( 15.170 -4.010 1.143) 15.733 8.286 ( 10.932 3.028 5.784) 12.733 8.582 ( 11.188 -5.510 3.443) 12.938 8.728 ( -0.160 1.806 5.236) 5.541 8.791 ( 7.962 2.454 9.110) 12.346 9.024 ( 16.811 1.054 16.318) 23.452 9.280 ( 4.650 -7.074 7.944) 11.609 9.583 ( -0.165 7.150 1.480) 7.304 9.674 ( -4.949 1.342 10.053) 11.285 9.880 ( 4.696 -1.630 8.164) 9.558 10.134 ( 13.270 -5.944 3.421) 14.938 10.452 ( -5.502 4.439 5.231) 8.794 10.660 ( -9.883 0.713 12.708) 16.114 10.931 ( -8.912 6.250 5.006) 11.981 11.266 ( 10.993 7.548 0.164) 13.336 11.656 ( -2.414 -8.393 -10.431) 13.604 11.788 ( -1.933 -1.065 -12.355) 12.551 11.906 ( 0.028 -4.485 -7.652) 8.870 12.175 ( -5.071 0.113 -3.228) 6.012 12.448 ( -1.618 -3.671 2.306) 4.628 12.644 ( 7.787 -15.032 6.933) 18.294 12.941 ( -11.052 11.287 -5.584) 16.755 13.682 ( -10.161 -7.856 -7.511) 14.879 14.515 ( 3.868 18.557 2.553) 19.127 15.178 ( 1.633 2.298 -10.459) 10.832 15.794 ( -0.315 -12.028 -6.384) 13.621 15.926 ( -2.917 -14.348 -1.542) 14.723 16.230 ( 2.153 5.498 -4.034) 7.151 16.367 ( 1.414 1.527 -3.445) 4.025 16.470 ( -0.792 6.312 -3.094) 7.074 16.656 ( 2.853 5.329 1.566) 6.244 16.923 ( 3.537 0.471 -3.672) 5.120 17.096 ( 1.117 -3.826 2.615) 4.767 17.335 ( 1.088 -1.213 -0.400) 1.678 17.485 ( 3.474 0.567 0.559) 3.564 17.760 ( -5.761 0.827 -3.110) 6.599 17.813 ( -0.021 -3.267 6.756) 7.504 18.085 ( -2.554 5.533 6.930) 9.228 18.265 ( -5.618 -0.883 -0.843) 5.749 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.33 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 13.359 2.445 14.901) 20.161 1.804 ( 17.072 6.331 11.405) 21.485 1.912 ( 5.635 -4.492 2.213) 7.539 2.336 ( 8.736 -3.417 4.616) 10.455 2.455 ( 7.607 -3.822 3.406) 9.170 2.611 ( -4.558 -1.984 -0.654) 5.014 2.680 ( -4.800 1.673 0.150) 5.085 2.821 ( -5.267 2.216 -1.794) 5.989 3.007 ( -7.077 3.148 3.520) 8.508 3.040 ( 0.790 4.762 -4.693) 6.732 3.114 ( -2.651 4.657 1.351) 5.526 3.358 ( 1.682 2.177 0.580) 2.812 3.578 ( 9.728 -0.451 -2.652) 10.093 3.607 ( 5.317 -0.675 -3.292) 6.290 3.789 ( -4.466 -0.226 1.507) 4.719 3.871 ( 3.046 -3.752 -9.341) 10.517 3.994 ( -4.355 -0.530 -1.188) 4.545 4.158 ( -3.731 -5.642 3.206) 7.485 4.400 ( 0.711 8.580 -7.000) 11.096 4.610 ( -6.320 -1.799 -1.627) 6.769 4.769 ( 0.248 4.401 7.442) 8.650 4.875 ( 5.815 -1.750 2.265) 6.481 5.039 ( -0.707 0.707 -3.774) 3.904 5.142 ( 7.337 -8.086 0.968) 10.961 5.255 ( 5.283 -1.807 -6.118) 8.283 5.374 ( -3.494 -2.124 -2.675) 4.887 5.479 ( -4.105 6.792 -1.063) 8.007 5.754 ( -4.317 -5.144 0.319) 6.723 6.794 ( 4.614 3.614 0.041) 5.861 6.862 ( 5.038 0.927 1.035) 5.226 7.022 ( 2.429 3.388 -0.586) 4.210 7.121 ( -2.132 -0.817 0.763) 2.408 8.302 ( 22.715 1.842 5.524) 23.449 8.413 ( 10.785 -0.309 1.953) 10.965 8.547 ( 16.032 -0.490 7.178) 17.573 8.708 ( 1.122 2.995 5.216) 6.118 8.776 ( 6.508 -5.863 2.491) 9.107 8.958 ( 6.978 -0.766 8.066) 10.693 9.298 ( 2.509 0.498 11.470) 11.752 9.415 ( 12.680 -1.673 11.921) 17.484 9.525 ( -7.670 1.209 9.715) 12.436 9.583 ( 1.740 0.712 5.865) 6.159 9.974 ( 4.199 1.566 7.132) 8.423 10.249 ( -5.364 1.810 6.593) 8.690 10.324 ( -10.990 -2.198 13.316) 17.405 10.602 ( 9.708 -0.373 2.831) 10.119 10.757 ( -6.700 4.514 3.896) 8.969 11.471 ( 5.142 -0.347 -5.869) 7.811 11.590 ( -1.473 -5.736 -7.402) 9.480 11.757 ( -1.008 -0.457 -9.749) 9.812 11.926 ( 2.163 1.763 -7.602) 8.098 12.051 ( -6.830 4.480 -5.462) 9.826 12.402 ( -2.861 -2.964 3.319) 5.290 12.717 ( -7.158 13.075 -1.478) 14.979 12.838 ( 7.826 -12.682 1.226) 14.953 13.473 ( -10.648 -7.526 -6.598) 14.614 14.653 ( 9.410 13.988 1.189) 16.900 15.162 ( -3.317 5.224 -7.773) 9.936 15.794 ( 0.245 -16.630 -8.953) 18.888 15.872 ( -2.420 -14.913 -5.292) 16.008 16.266 ( 1.557 6.915 -5.104) 8.734 16.392 ( 0.965 4.801 -5.521) 7.379 16.455 ( -0.699 3.945 -2.679) 4.819 16.695 ( 1.080 6.705 2.263) 7.158 16.992 ( 3.304 -3.188 -4.679) 6.556 17.137 ( 2.997 -4.117 1.027) 5.194 17.321 ( -1.766 2.921 -3.428) 4.838 17.534 ( -2.408 -3.272 -1.551) 4.349 17.664 ( 0.261 2.788 3.585) 4.549 17.842 ( 2.434 -5.043 7.682) 9.506 18.054 ( -1.325 4.434 7.948) 9.197 18.148 ( -5.612 0.335 3.006) 6.375 ======================= Grid point 103 (40/75) ======================= q-point: ( 0.44 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 5.073 -0.979 13.409) 14.370 2.055 ( 8.467 3.472 8.529) 12.509 2.096 ( 9.063 -0.240 6.602) 11.216 2.405 ( -2.005 1.400 5.341) 5.874 2.507 ( -5.391 1.410 1.909) 5.890 2.553 ( 0.579 -2.441 3.516) 4.320 2.605 ( 2.207 -0.728 2.553) 3.453 2.707 ( -5.685 -0.815 0.430) 5.759 2.933 ( 0.377 5.721 1.580) 5.947 3.023 ( -4.838 7.122 1.970) 8.833 3.126 ( 6.808 1.607 -6.367) 9.459 3.305 ( -6.150 1.336 -6.203) 8.836 3.648 ( -0.946 -2.338 -5.723) 6.254 3.673 ( -0.659 -5.247 -6.511) 8.388 3.823 ( 7.752 -6.579 -4.996) 11.328 3.957 ( 0.507 1.226 0.207) 1.343 4.011 ( 1.185 -6.174 -0.813) 6.339 4.095 ( 5.358 0.486 -3.481) 6.408 4.321 ( -10.211 2.312 -7.012) 12.601 4.549 ( 1.296 4.170 -8.381) 9.450 4.780 ( 0.560 7.236 7.169) 10.202 4.876 ( -3.798 3.649 -2.039) 5.647 5.091 ( 4.648 1.278 5.025) 6.963 5.245 ( 2.209 -2.746 -2.341) 4.230 5.273 ( -0.729 -2.707 -1.196) 3.048 5.374 ( -2.371 -2.063 -5.793) 6.591 5.471 ( 7.163 -2.797 1.401) 7.816 5.633 ( -7.597 -4.909 -0.003) 9.045 6.855 ( 1.622 -0.756 0.079) 1.792 6.959 ( 3.713 -0.324 3.113) 4.856 7.044 ( -0.366 4.807 0.675) 4.868 7.084 ( -1.066 2.967 2.555) 4.058 8.557 ( 3.945 -0.476 3.353) 5.199 8.692 ( 7.435 2.758 5.234) 9.502 8.714 ( 7.580 0.358 1.833) 7.807 8.866 ( 11.467 -0.075 4.695) 12.391 8.901 ( 5.469 -5.309 2.887) 8.151 9.049 ( 3.841 -2.640 8.334) 9.549 9.200 ( -8.019 2.696 7.865) 11.551 9.278 ( -12.869 -1.588 9.558) 16.109 9.718 ( 11.199 -0.048 13.835) 17.800 9.732 ( 12.924 -0.455 14.191) 19.200 9.949 ( -7.816 -0.895 10.632) 13.226 10.038 ( -15.372 -1.121 14.004) 20.824 10.253 ( 8.899 10.161 4.450) 14.221 10.489 ( -12.575 9.086 0.672) 15.529 10.990 ( 17.557 -12.699 -1.615) 21.728 11.342 ( -12.283 -16.159 -4.794) 20.856 11.647 ( 1.373 4.280 -10.880) 11.772 11.771 ( 2.093 -1.153 -6.601) 7.020 11.913 ( -3.315 5.775 -3.768) 7.651 12.011 ( 2.490 10.973 -10.221) 15.201 12.357 ( -1.101 -0.310 5.554) 5.671 12.583 ( -4.606 11.250 3.320) 12.602 13.030 ( 9.808 -10.994 -3.918) 15.245 13.267 ( -9.770 -7.337 -5.306) 13.320 14.859 ( 10.630 10.547 -1.229) 15.025 15.048 ( -7.941 7.947 -4.225) 12.003 15.802 ( 0.525 -17.639 -10.549) 20.560 15.834 ( -1.280 -16.249 -6.907) 17.702 16.292 ( 0.808 6.708 -6.665) 9.491 16.401 ( -0.006 12.269 -9.431) 15.474 16.446 ( -0.099 -2.720 0.636) 2.795 16.704 ( 0.057 8.214 2.557) 8.602 17.044 ( 1.574 -6.232 -4.727) 7.979 17.210 ( 3.923 -4.918 -1.568) 6.483 17.285 ( -1.697 4.304 -3.076) 5.555 17.425 ( -5.105 0.511 -2.155) 5.565 17.736 ( 3.532 -2.337 4.247) 5.998 17.892 ( 2.340 -5.034 7.792) 9.567 17.996 ( -4.094 4.316 6.266) 8.640 18.082 ( -0.963 2.375 8.848) 9.212 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 12.803 17.402) 21.604 1.279 ( 0.000 8.175 14.794) 16.903 1.500 ( 0.000 -9.759 14.113) 17.159 1.623 ( 0.000 -16.090 4.911) 16.823 2.258 ( 0.000 19.261 3.930) 19.658 2.569 ( 0.000 -14.601 -3.878) 15.107 2.796 ( 0.000 7.176 -1.486) 7.328 2.822 ( 0.000 15.316 1.711) 15.411 2.900 ( 0.000 9.139 7.895) 12.077 3.086 ( 0.000 0.118 -7.505) 7.506 3.155 ( 0.000 -4.200 -9.226) 10.137 3.305 ( 0.000 -20.880 10.124) 23.205 3.583 ( 0.000 5.748 0.608) 5.780 3.585 ( 0.000 0.192 -0.234) 0.303 3.983 ( 0.000 2.034 7.186) 7.468 4.022 ( 0.000 3.835 12.814) 13.375 4.151 ( 0.000 -7.015 4.550) 8.361 4.189 ( 0.000 -1.530 3.327) 3.662 4.281 ( 0.000 -0.696 5.561) 5.604 4.383 ( 0.000 -6.974 3.708) 7.898 4.821 ( 0.000 3.772 -4.886) 6.173 4.839 ( 0.000 1.583 -4.439) 4.713 4.870 ( 0.000 3.573 5.930) 6.923 4.931 ( 0.000 -2.718 5.079) 5.760 5.255 ( 0.000 6.228 10.269) 12.010 5.411 ( 0.000 -9.393 4.991) 10.637 5.725 ( 0.000 7.716 -6.465) 10.066 5.833 ( 0.000 -1.530 -12.398) 12.492 6.765 ( 0.000 0.365 -4.572) 4.587 6.799 ( 0.000 0.681 -5.522) 5.563 6.816 ( 0.000 11.355 -5.897) 12.795 7.039 ( 0.000 -9.397 -7.491) 12.017 7.499 ( 0.000 7.759 6.438) 10.082 7.650 ( 0.000 -8.348 5.597) 10.050 8.087 ( 0.000 2.157 -5.505) 5.912 8.119 ( 0.000 -1.353 -4.101) 4.319 8.631 ( 0.000 0.569 14.668) 14.679 8.643 ( 0.000 -0.827 10.982) 11.013 8.929 ( 0.000 7.175 6.647) 9.781 9.049 ( 0.000 -5.618 7.504) 9.375 9.581 ( 0.000 6.544 9.248) 11.330 9.671 ( 0.000 -3.175 10.740) 11.199 9.819 ( 0.000 0.445 3.455) 3.483 9.843 ( 0.000 -1.994 9.086) 9.302 10.650 ( 0.000 8.319 -9.342) 12.509 10.808 ( 0.000 -8.254 -6.666) 10.609 11.161 ( 0.000 14.402 22.486) 26.703 11.383 ( 0.000 12.057 9.898) 15.600 11.484 ( 0.000 -18.693 10.021) 21.210 11.638 ( 0.000 -13.261 7.789) 15.379 11.844 ( 0.000 -0.175 -13.011) 13.012 11.900 ( 0.000 -10.835 0.977) 10.879 12.425 ( 0.000 2.964 0.786) 3.066 12.466 ( 0.000 -0.896 -0.352) 0.963 13.459 ( 0.000 13.785 -11.737) 18.104 13.716 ( 0.000 -13.300 -10.983) 17.249 14.921 ( 0.000 12.935 -5.945) 14.236 15.046 ( 0.000 -1.490 -4.558) 4.795 15.767 ( 0.000 -1.529 1.337) 2.032 15.807 ( 0.000 -6.136 6.030) 8.603 16.203 ( 0.000 3.110 -3.550) 4.720 16.267 ( 0.000 -3.606 -1.689) 3.982 16.614 ( 0.000 5.057 -1.737) 5.347 16.648 ( 0.000 2.603 -2.875) 3.878 16.877 ( 0.000 2.426 0.007) 2.426 16.976 ( 0.000 -7.481 1.303) 7.593 17.284 ( 0.000 4.780 -0.195) 4.784 17.372 ( 0.000 -4.611 -4.135) 6.194 17.869 ( 0.000 1.329 -4.753) 4.936 17.881 ( 0.000 0.225 -0.933) 0.960 18.316 ( 0.000 3.062 0.986) 3.217 18.360 ( 0.000 -1.776 -2.199) 2.827 ======================= Grid point 109 (42/75) ======================= q-point: ( 0.11 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 11.639 12.371 14.408) 22.273 1.346 ( 6.468 8.516 12.404) 16.378 1.608 ( 7.644 -11.532 9.683) 16.887 1.654 ( 5.246 -14.306 6.928) 16.738 2.311 ( 4.729 16.849 4.269) 18.013 2.582 ( 0.720 -11.788 -3.019) 12.189 2.812 ( 1.406 6.087 -5.155) 8.099 2.872 ( 3.227 3.768 -0.214) 4.965 2.960 ( 5.305 13.166 8.841) 16.722 3.069 ( 0.552 3.388 -6.691) 7.520 3.196 ( 3.821 -5.120 -8.046) 10.274 3.302 ( -1.447 -12.255 7.026) 14.200 3.566 ( -1.716 3.782 1.892) 4.564 3.592 ( 0.246 -4.021 2.129) 4.556 3.880 ( -6.131 7.190 5.861) 11.119 4.035 ( -1.362 -5.313 8.733) 10.312 4.054 ( -4.953 2.924 3.455) 6.710 4.178 ( -3.934 -8.084 6.933) 11.353 4.358 ( 7.874 3.657 2.356) 8.996 4.481 ( 7.671 -7.058 2.117) 10.637 4.747 ( -4.306 1.580 2.013) 5.009 4.794 ( -2.760 -1.503 -3.086) 4.405 4.940 ( 0.840 2.967 1.743) 3.542 4.967 ( 4.841 0.964 -1.104) 5.058 5.240 ( -1.305 6.587 6.859) 9.599 5.398 ( -1.388 -9.359 3.545) 10.103 5.720 ( -0.539 5.801 -5.187) 7.800 5.803 ( -2.766 -1.525 -8.264) 8.847 6.769 ( 1.426 3.720 -4.821) 6.254 6.810 ( 0.968 4.435 -5.187) 6.893 6.873 ( 4.517 4.227 -3.654) 7.185 7.050 ( 0.996 -8.659 -6.308) 10.759 7.619 ( 11.852 7.179 6.485) 15.299 7.758 ( 10.447 -7.560 5.034) 13.843 8.172 ( 8.076 3.991 -3.828) 9.788 8.247 ( 10.788 -3.930 -3.120) 11.898 8.690 ( 5.109 0.894 11.284) 12.418 8.706 ( 6.063 -0.810 12.140) 13.594 8.914 ( 0.634 7.932 10.315) 13.028 9.060 ( 1.630 -7.621 9.384) 12.198 9.683 ( 7.966 6.917 5.428) 11.864 9.730 ( 3.529 0.407 10.845) 11.412 9.785 ( -2.809 -0.283 5.628) 6.297 9.857 ( 2.984 -5.456 5.679) 8.422 10.636 ( -2.036 7.433 -4.081) 8.721 10.767 ( -4.421 -6.133 0.993) 7.625 11.191 ( 0.499 10.595 8.120) 13.358 11.296 ( -2.451 6.898 12.509) 14.493 11.535 ( 1.428 -6.178 0.927) 6.408 11.695 ( 4.869 -12.450 2.618) 13.622 11.845 ( 0.514 0.168 -11.132) 11.145 11.924 ( 3.029 -13.370 5.051) 14.610 12.412 ( -1.212 2.900 1.608) 3.531 12.465 ( -0.262 -2.070 0.701) 2.202 13.385 ( -7.040 14.530 -10.710) 19.375 13.649 ( -6.430 -13.399 -10.087) 17.962 14.884 ( -2.161 16.226 -3.933) 16.835 15.085 ( 3.016 -5.179 -6.976) 9.197 15.716 ( -4.170 -1.534 0.531) 4.475 15.777 ( -2.939 -7.583 2.394) 8.477 16.242 ( 3.227 3.129 -2.598) 5.192 16.298 ( 2.538 -2.900 -1.413) 4.104 16.617 ( 0.291 6.424 -2.983) 7.088 16.674 ( 2.339 1.612 -1.527) 3.225 16.890 ( 1.154 1.715 -1.294) 2.439 16.979 ( 0.384 -6.924 0.974) 7.003 17.311 ( 2.623 4.304 0.437) 5.059 17.394 ( 2.209 -4.187 -2.793) 5.496 17.837 ( -2.837 1.362 -2.841) 4.239 17.855 ( -2.827 -0.455 -1.548) 3.255 18.262 ( -4.420 4.248 2.875) 6.771 18.324 ( -3.525 -2.462 -0.432) 4.321 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.22 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 10.251 7.488 10.789) 16.660 1.590 ( 16.075 6.930 8.406) 19.418 1.704 ( 5.780 -4.409 5.483) 9.105 1.885 ( 13.917 -14.918 9.060) 22.323 2.411 ( 4.735 10.875 2.832) 12.195 2.582 ( -0.607 -7.223 -1.505) 7.403 2.812 ( -1.717 4.045 -3.594) 5.677 2.891 ( -1.450 -4.366 -4.854) 6.688 3.087 ( 7.030 10.612 2.657) 13.004 3.140 ( 3.167 6.052 -2.136) 7.157 3.212 ( -6.262 0.703 2.396) 6.741 3.301 ( 5.368 -8.466 -5.452) 11.411 3.484 ( -3.299 6.149 6.706) 9.678 3.654 ( 4.723 -10.625 3.722) 12.209 3.779 ( -4.005 10.458 -1.327) 11.277 3.908 ( -7.095 -1.248 0.773) 7.245 4.044 ( -0.208 -1.374 4.051) 4.283 4.093 ( -4.148 -6.686 5.493) 9.596 4.532 ( 7.348 8.254 -3.333) 11.543 4.595 ( 3.270 0.370 3.212) 4.598 4.707 ( -4.386 -4.850 -0.122) 6.540 4.753 ( 5.340 -9.889 0.444) 11.247 4.963 ( 1.614 7.178 -0.560) 7.378 5.042 ( 2.737 -0.415 -3.653) 4.584 5.216 ( -0.810 4.801 1.415) 5.071 5.352 ( -3.172 -8.609 1.077) 9.237 5.688 ( -3.323 4.174 -3.738) 6.515 5.741 ( -3.077 -2.051 -0.866) 3.798 6.821 ( 2.984 3.404 -2.569) 5.204 6.837 ( 2.143 4.994 -3.455) 6.440 6.972 ( 5.155 2.102 -1.760) 5.839 7.072 ( 1.198 -6.134 -3.063) 6.960 7.940 ( 19.419 5.291 6.170) 21.051 8.041 ( 17.258 -5.526 4.166) 18.594 8.362 ( 10.099 5.036 0.675) 11.305 8.468 ( 10.311 -6.316 -0.691) 12.111 8.780 ( 1.532 3.047 7.652) 8.378 8.814 ( 5.759 -0.262 9.068) 10.746 9.064 ( 13.978 3.507 15.452) 21.130 9.156 ( 8.707 -6.189 12.506) 16.447 9.672 ( -5.360 2.741 7.297) 9.460 9.701 ( -5.755 0.148 5.705) 8.105 9.892 ( 9.396 4.080 5.912) 11.827 10.007 ( 10.103 -7.235 3.101) 12.807 10.549 ( -6.616 5.501 6.584) 10.834 10.636 ( -8.160 -3.410 9.486) 12.969 11.102 ( -6.876 11.797 0.475) 13.663 11.323 ( -0.598 -8.850 -2.458) 9.204 11.585 ( 5.231 8.773 -0.631) 10.234 11.749 ( 0.419 -4.349 -10.788) 11.639 11.884 ( 3.930 2.053 -6.777) 8.099 12.037 ( 6.762 -13.944 2.871) 15.761 12.387 ( -0.884 1.056 3.996) 4.227 12.457 ( 0.152 -5.679 4.266) 7.104 13.208 ( -10.033 15.719 -7.893) 20.250 13.482 ( -9.820 -13.384 -7.971) 18.415 14.878 ( 2.014 19.034 -3.031) 19.379 15.153 ( 3.811 -8.261 -9.114) 12.878 15.623 ( -5.127 -2.643 -1.396) 5.935 15.705 ( -4.006 -9.323 -2.608) 10.477 16.304 ( 2.707 2.852 -2.067) 4.442 16.348 ( 2.199 -2.004 -1.659) 3.406 16.624 ( 0.396 8.552 -4.456) 9.652 16.727 ( 2.637 -0.345 -0.407) 2.691 16.916 ( 1.409 1.061 -3.324) 3.763 16.997 ( 1.576 -6.058 0.522) 6.281 17.371 ( 2.760 4.171 -0.185) 5.005 17.451 ( 2.909 -3.738 -1.140) 4.872 17.772 ( -4.327 0.383 -1.336) 4.545 17.778 ( -2.994 -0.656 2.020) 3.670 18.178 ( -3.586 4.224 5.750) 7.985 18.237 ( -4.752 -2.260 2.678) 5.904 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.33 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 10.194 4.201 9.672) 14.667 1.813 ( 8.004 -5.468 4.035) 10.500 1.953 ( 16.642 9.849 8.689) 21.200 2.160 ( 13.244 -11.950 7.703) 19.431 2.493 ( 3.498 4.115 2.061) 5.781 2.559 ( -1.861 -3.031 1.159) 3.741 2.750 ( -4.919 4.332 -0.266) 6.560 2.814 ( -6.099 -2.329 -1.809) 6.775 3.073 ( -4.859 3.694 2.176) 6.480 3.123 ( -3.014 -0.573 0.806) 3.173 3.203 ( 2.898 9.139 -2.846) 10.001 3.386 ( 1.817 -7.655 -3.887) 8.775 3.491 ( 1.720 5.580 -1.605) 6.055 3.660 ( -3.352 -8.629 -4.028) 10.096 3.752 ( -2.831 5.615 -1.637) 6.498 3.849 ( 4.192 -0.640 2.711) 5.033 4.014 ( -1.349 0.498 0.415) 1.497 4.050 ( 0.245 -2.880 -2.638) 3.913 4.534 ( -2.503 3.236 -6.314) 7.524 4.575 ( -7.527 -1.861 -3.404) 8.468 4.781 ( 10.806 3.402 4.501) 12.190 4.915 ( 8.115 -6.693 0.569) 10.534 5.003 ( 1.518 6.459 -2.993) 7.278 5.091 ( 3.747 -0.710 -2.431) 4.523 5.224 ( 1.627 -0.745 -1.405) 2.275 5.284 ( -2.876 -6.538 1.292) 7.258 5.588 ( -6.448 4.845 0.003) 8.065 5.666 ( -5.203 -4.102 0.914) 6.689 6.857 ( 1.262 3.554 -1.083) 3.924 6.897 ( 2.663 0.405 -0.147) 2.698 7.066 ( 3.973 1.886 -0.442) 4.420 7.100 ( 1.702 -1.532 0.155) 2.295 8.343 ( 19.788 2.413 4.286) 20.390 8.388 ( 15.347 -2.285 1.113) 15.556 8.567 ( 11.634 2.939 6.556) 13.674 8.650 ( 8.457 -5.765 2.720) 10.591 8.806 ( 1.571 5.782 7.137) 9.319 8.908 ( 3.811 -4.542 7.995) 9.953 9.322 ( 6.064 2.105 13.104) 14.592 9.370 ( 9.467 -2.848 13.640) 16.846 9.555 ( -4.202 1.846 8.550) 9.704 9.582 ( -1.835 -0.843 7.425) 7.695 10.037 ( 3.372 5.151 4.769) 7.788 10.155 ( 0.480 -7.313 4.575) 8.640 10.411 ( -4.883 7.049 11.252) 14.147 10.533 ( 2.347 -5.811 8.622) 10.659 10.940 ( -9.597 13.766 -1.136) 16.820 11.227 ( -8.161 -16.565 -4.272) 18.954 11.688 ( 3.451 5.760 -9.255) 11.434 11.744 ( -0.347 -1.227 -10.574) 10.651 12.003 ( 6.009 6.539 -5.467) 10.428 12.094 ( -0.784 -1.076 -5.671) 5.825 12.383 ( 1.338 2.866 5.445) 6.297 12.551 ( 9.857 -14.283 5.232) 18.125 13.008 ( -9.888 15.775 -3.867) 19.015 13.279 ( -10.386 -13.053 -5.463) 17.553 14.966 ( 6.504 18.463 -3.547) 19.894 15.230 ( 3.480 -3.770 -9.536) 10.828 15.519 ( -4.963 -6.580 -3.201) 8.842 15.623 ( -4.338 -11.753 -5.923) 13.857 16.346 ( 1.548 2.480 -2.978) 4.173 16.381 ( 1.145 -1.596 -1.841) 2.692 16.631 ( 0.330 10.236 -5.456) 11.604 16.770 ( 1.693 -2.175 -0.327) 2.776 16.946 ( 1.574 1.631 -4.064) 4.653 17.040 ( 2.628 -6.082 -0.523) 6.646 17.394 ( -0.668 4.511 -2.821) 5.363 17.472 ( -1.607 -3.727 -2.916) 4.998 17.709 ( -0.670 2.314 3.712) 4.425 17.761 ( 1.029 -3.599 5.278) 6.470 18.120 ( -2.486 2.576 7.489) 8.300 18.149 ( -3.832 -0.569 5.702) 6.893 ======================= Grid point 112 (45/75) ======================= q-point: ( 0.44 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 4.375 3.367 9.026) 10.581 1.966 ( 5.852 -6.048 4.076) 9.351 2.232 ( 9.290 8.635 9.661) 15.944 2.377 ( 7.558 -6.026 8.401) 12.807 2.512 ( -1.643 1.686 2.688) 3.573 2.551 ( 2.712 -0.927 2.794) 4.003 2.618 ( -6.835 3.151 3.898) 8.476 2.676 ( -7.059 -2.524 1.999) 7.759 3.055 ( 3.261 5.955 0.263) 6.794 3.128 ( 3.205 -1.267 -2.068) 4.019 3.173 ( -4.962 8.867 -2.305) 10.419 3.320 ( -6.221 -2.633 -4.412) 8.068 3.547 ( 2.343 -4.081 -6.904) 8.355 3.620 ( 0.451 -9.854 -6.723) 11.938 3.694 ( -2.388 6.960 -4.297) 8.521 3.870 ( -1.902 -10.203 -2.039) 10.577 4.054 ( 2.147 7.176 -2.109) 7.782 4.131 ( 8.258 0.547 -3.842) 9.125 4.387 ( -9.108 5.175 -6.028) 12.086 4.511 ( -0.964 -6.663 -5.500) 8.694 4.937 ( 4.250 7.422 0.309) 8.558 4.991 ( -1.488 9.858 -0.075) 9.970 5.056 ( 5.260 -6.157 -4.592) 9.309 5.184 ( 0.601 -8.527 1.509) 8.681 5.241 ( 4.198 4.681 -0.292) 6.294 5.332 ( 6.516 -3.490 0.380) 7.401 5.447 ( -6.374 1.843 3.319) 7.419 5.527 ( -8.393 -5.866 1.366) 10.331 6.875 ( 0.474 2.559 0.154) 2.607 6.929 ( 0.678 -2.709 1.709) 3.274 7.117 ( 1.221 2.928 0.849) 3.284 7.135 ( 1.298 1.289 1.059) 2.114 8.567 ( 3.681 1.971 0.196) 4.180 8.633 ( 6.927 -4.773 -1.660) 8.575 8.817 ( 4.212 5.353 8.358) 10.783 8.842 ( 11.068 0.359 7.649) 13.458 8.874 ( 11.355 0.525 7.017) 13.359 8.966 ( 2.255 -5.923 8.233) 10.390 9.235 ( -9.243 1.055 8.298) 12.466 9.251 ( -12.566 -1.075 7.834) 14.847 9.722 ( 12.132 0.322 13.558) 18.196 9.726 ( 12.796 -0.146 14.154) 19.081 9.954 ( -9.824 1.358 10.607) 14.521 9.995 ( -12.807 -2.790 12.115) 17.849 10.480 ( 10.170 13.486 3.299) 17.209 10.708 ( -3.920 7.550 -0.864) 8.550 10.746 ( 5.262 -6.594 1.098) 8.508 11.022 ( -11.858 -17.435 -2.187) 21.198 11.716 ( 0.132 2.668 -10.883) 11.206 11.752 ( 0.796 -1.280 -9.265) 9.387 12.018 ( -1.720 5.527 -4.154) 7.125 12.097 ( 0.142 -1.854 -7.400) 7.631 12.484 ( 6.961 13.749 2.783) 15.660 12.773 ( 10.253 -15.856 -1.220) 18.921 12.825 ( -7.637 14.181 0.891) 16.131 13.078 ( -9.126 -12.593 -2.278) 15.718 15.115 ( 7.888 16.296 -4.458) 18.646 15.243 ( -3.560 11.740 -6.591) 13.927 15.467 ( 0.948 -17.307 -6.798) 18.619 15.535 ( -4.339 -15.577 -7.220) 17.709 16.366 ( 0.480 2.113 -4.030) 4.576 16.395 ( 0.348 -1.573 -1.786) 2.405 16.636 ( 0.154 11.368 -5.932) 12.824 16.793 ( 0.586 -2.801 -0.336) 2.881 16.972 ( 0.816 2.370 -4.509) 5.159 17.090 ( 1.850 -7.492 -1.970) 7.964 17.365 ( -1.422 3.858 -3.669) 5.511 17.417 ( -2.342 -1.591 -2.913) 4.062 17.728 ( 1.235 1.736 4.748) 5.204 17.794 ( 1.403 -5.002 6.271) 8.143 18.071 ( -1.909 3.159 7.870) 8.693 18.103 ( -0.955 -0.276 8.891) 8.946 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 0.000 18.528) 18.528 1.414 ( 0.000 0.000 17.766) 17.766 1.923 ( 0.000 0.000 4.431) 4.431 1.987 ( 0.000 0.000 -6.241) 6.241 2.330 ( 0.000 0.000 1.502) 1.502 2.545 ( 0.000 0.000 -8.550) 8.550 2.599 ( 0.000 0.000 -11.056) 11.056 2.603 ( 0.000 0.000 28.902) 28.902 2.703 ( 0.000 0.000 2.983) 2.983 3.160 ( 0.000 0.000 -5.862) 5.862 3.233 ( 0.000 0.000 1.824) 1.824 3.270 ( 0.000 0.000 7.944) 7.944 3.292 ( 0.000 0.000 2.042) 2.042 4.004 ( 0.000 0.000 -8.297) 8.297 4.019 ( 0.000 0.000 7.388) 7.388 4.041 ( 0.000 0.000 9.968) 9.968 4.168 ( 0.000 0.000 -0.206) 0.206 4.433 ( 0.000 0.000 -1.999) 1.999 4.556 ( 0.000 0.000 -3.313) 3.313 4.625 ( 0.000 0.000 7.406) 7.406 4.704 ( 0.000 0.000 -3.728) 3.728 4.808 ( 0.000 0.000 14.102) 14.102 5.062 ( 0.000 0.000 10.539) 10.539 5.124 ( 0.000 0.000 -10.024) 10.024 5.137 ( 0.000 0.000 0.195) 0.195 5.197 ( 0.000 0.000 10.912) 10.912 5.506 ( 0.000 0.000 -6.468) 6.468 5.851 ( 0.000 0.000 -6.840) 6.840 6.332 ( 0.000 0.000 3.322) 3.322 6.776 ( 0.000 0.000 -2.832) 2.832 6.853 ( 0.000 0.000 -2.210) 2.210 6.945 ( 0.000 0.000 -13.273) 13.273 7.420 ( 0.000 0.000 6.037) 6.037 7.766 ( 0.000 0.000 -5.439) 5.439 8.100 ( 0.000 0.000 4.689) 4.689 8.271 ( 0.000 0.000 2.987) 2.987 8.771 ( 0.000 0.000 4.619) 4.619 8.831 ( 0.000 0.000 3.178) 3.178 9.025 ( 0.000 0.000 22.499) 22.499 9.307 ( 0.000 0.000 9.495) 9.495 9.740 ( 0.000 0.000 23.641) 23.641 9.800 ( 0.000 0.000 -2.098) 2.098 10.011 ( 0.000 0.000 18.380) 18.380 10.179 ( 0.000 0.000 10.579) 10.579 10.226 ( 0.000 0.000 -11.460) 11.460 10.886 ( 0.000 0.000 -7.341) 7.341 11.267 ( 0.000 0.000 13.622) 13.622 11.311 ( 0.000 0.000 -21.407) 21.407 11.367 ( 0.000 0.000 11.620) 11.620 11.534 ( 0.000 0.000 -15.341) 15.341 12.062 ( 0.000 0.000 -10.430) 10.430 12.085 ( 0.000 0.000 -5.867) 5.867 12.406 ( 0.000 0.000 3.483) 3.483 12.762 ( 0.000 0.000 -9.995) 9.995 13.285 ( 0.000 0.000 9.734) 9.734 13.833 ( 0.000 0.000 -9.229) 9.229 14.363 ( 0.000 0.000 8.965) 8.965 14.860 ( 0.000 0.000 -7.776) 7.776 15.828 ( 0.000 0.000 -0.605) 0.605 15.978 ( 0.000 0.000 -4.634) 4.634 16.274 ( 0.000 0.000 0.914) 0.914 16.362 ( 0.000 0.000 -1.745) 1.745 16.393 ( 0.000 0.000 -0.178) 0.178 16.422 ( 0.000 0.000 -0.355) 0.355 16.841 ( 0.000 0.000 5.134) 5.134 17.236 ( 0.000 0.000 5.705) 5.705 17.316 ( 0.000 0.000 -9.700) 9.700 17.468 ( 0.000 0.000 13.201) 13.201 17.688 ( 0.000 0.000 -7.637) 7.637 17.982 ( 0.000 0.000 6.988) 6.988 18.206 ( 0.000 0.000 -10.576) 10.576 18.215 ( 0.000 0.000 -0.853) 0.853 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.11 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 10.210 0.000 17.707) 20.440 1.513 ( 9.400 0.000 17.008) 19.433 1.940 ( -2.458 0.000 -2.100) 3.233 2.009 ( 7.742 0.000 2.864) 8.255 2.455 ( 9.931 0.000 -0.472) 9.942 2.531 ( -2.244 0.000 15.131) 15.297 2.560 ( 1.457 0.000 -8.504) 8.628 2.633 ( 2.233 0.000 -7.225) 7.562 2.853 ( 10.535 0.000 4.166) 11.328 3.164 ( -2.086 0.000 -2.101) 2.961 3.223 ( -1.358 0.000 0.372) 1.408 3.250 ( 0.653 0.000 5.328) 5.368 3.295 ( -0.090 0.000 2.218) 2.220 3.830 ( -8.571 0.000 -2.220) 8.854 3.908 ( -10.101 0.000 10.421) 14.513 4.121 ( 1.168 0.000 -1.170) 1.653 4.174 ( -1.910 0.000 1.015) 2.163 4.300 ( -8.410 0.000 -1.189) 8.494 4.525 ( -1.586 0.000 3.283) 3.646 4.700 ( 5.461 0.000 0.951) 5.543 4.826 ( 7.952 0.000 -3.262) 8.595 4.870 ( 5.564 0.000 15.192) 16.179 4.931 ( -10.687 0.000 -4.909) 11.761 5.075 ( 0.822 0.000 8.337) 8.377 5.150 ( -3.111 0.000 6.695) 7.382 5.255 ( 3.760 0.000 -6.369) 7.396 5.479 ( -2.693 0.000 -5.414) 6.047 5.834 ( -1.545 0.000 -7.520) 7.677 6.422 ( 8.292 0.000 4.058) 9.232 6.805 ( 2.768 0.000 -2.568) 3.776 6.837 ( -0.968 0.000 -0.700) 1.194 6.992 ( 4.197 0.000 -11.043) 11.813 7.554 ( 13.457 0.000 5.281) 14.456 7.869 ( 10.020 0.000 -5.053) 11.222 8.195 ( 9.087 0.000 6.485) 11.164 8.455 ( 15.945 0.000 2.284) 16.108 8.786 ( 1.613 0.000 4.850) 5.112 8.823 ( -0.392 0.000 4.369) 4.386 9.118 ( 9.108 0.000 21.523) 23.371 9.375 ( 6.184 0.000 7.490) 9.713 9.642 ( -5.109 0.000 11.337) 12.435 9.935 ( 8.425 0.000 9.939) 13.030 10.009 ( -1.110 0.000 17.124) 17.160 10.185 ( 1.584 0.000 8.942) 9.081 10.278 ( 4.962 0.000 -9.429) 10.655 10.879 ( -1.091 0.000 -6.718) 6.806 11.227 ( -3.283 0.000 11.143) 11.616 11.272 ( -6.991 0.000 6.660) 9.656 11.351 ( 1.821 0.000 -14.812) 14.923 11.535 ( 0.160 0.000 -13.798) 13.798 12.015 ( -5.515 0.000 -5.115) 7.522 12.039 ( -2.551 0.000 -11.321) 11.605 12.463 ( 4.156 0.000 2.490) 4.844 12.727 ( -3.368 0.000 -8.151) 8.820 13.195 ( -7.752 0.000 10.388) 12.962 13.765 ( -6.512 0.000 -9.200) 11.271 14.381 ( 2.072 0.000 8.851) 9.090 14.899 ( 3.151 0.000 -9.061) 9.593 15.826 ( -0.173 0.000 -1.450) 1.460 15.985 ( 0.495 0.000 -5.576) 5.598 16.234 ( -6.827 0.000 -1.086) 6.913 16.236 ( -3.355 0.000 -0.665) 3.420 16.446 ( 1.933 0.000 0.851) 2.112 16.508 ( 5.640 0.000 -1.131) 5.752 16.859 ( 1.732 0.000 3.882) 4.251 17.232 ( -0.247 0.000 6.377) 6.382 17.285 ( -2.684 0.000 -9.254) 9.635 17.520 ( 4.750 0.000 11.912) 12.824 17.691 ( -0.444 0.000 -7.476) 7.489 17.995 ( 1.347 0.000 7.185) 7.310 18.123 ( -4.398 0.000 -4.030) 5.965 18.251 ( 0.338 0.000 -4.441) 4.454 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.22 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 15.071 0.000 16.264) 22.173 1.752 ( 13.649 0.000 14.901) 20.208 1.943 ( 3.073 0.000 3.906) 4.970 2.187 ( 9.457 0.000 1.079) 9.518 2.538 ( 2.622 0.000 7.949) 8.370 2.587 ( 1.193 0.000 -7.257) 7.354 2.652 ( 8.339 0.000 -0.099) 8.339 2.665 ( 0.202 0.000 -8.053) 8.055 3.005 ( -2.850 0.000 -2.714) 3.936 3.090 ( 2.844 0.000 0.849) 2.968 3.173 ( -3.742 0.000 -1.251) 3.946 3.268 ( -2.428 0.000 -1.148) 2.686 3.346 ( 7.531 0.000 1.935) 7.775 3.706 ( -4.223 0.000 -3.456) 5.457 3.721 ( -6.490 0.000 12.726) 14.285 4.031 ( -6.938 0.000 -4.609) 8.329 4.075 ( -7.648 0.000 2.012) 7.908 4.197 ( -3.825 0.000 1.564) 4.132 4.479 ( -3.649 0.000 3.228) 4.871 4.721 ( -10.176 0.000 -7.280) 12.512 4.813 ( 4.608 0.000 1.552) 4.863 4.939 ( 2.196 0.000 -4.209) 4.748 4.976 ( 4.293 0.000 16.456) 17.007 5.055 ( 0.207 0.000 2.244) 2.253 5.187 ( 5.998 0.000 -0.288) 6.005 5.298 ( 1.553 0.000 -4.667) 4.918 5.404 ( -4.536 0.000 -4.065) 6.091 5.797 ( -2.109 0.000 -7.524) 7.814 6.618 ( 10.517 0.000 4.929) 11.615 6.842 ( 1.819 0.000 0.811) 1.991 6.876 ( 3.948 0.000 -1.987) 4.420 7.077 ( 3.622 0.000 -6.542) 7.477 7.920 ( 22.114 0.000 4.494) 22.566 8.143 ( 16.779 0.000 -2.982) 17.042 8.422 ( 12.588 0.000 8.745) 15.327 8.751 ( 7.739 0.000 3.290) 8.409 8.838 ( 3.783 0.000 5.005) 6.274 8.860 ( 7.918 0.000 4.292) 9.006 9.368 ( 15.294 0.000 18.592) 24.074 9.523 ( 8.394 0.000 5.910) 10.266 9.556 ( -3.582 0.000 9.739) 10.377 9.933 ( -6.505 0.000 15.108) 16.449 10.081 ( 5.361 0.000 11.272) 12.482 10.257 ( 4.252 0.000 -0.264) 4.260 10.415 ( 8.845 0.000 -0.265) 8.849 10.801 ( -7.868 0.000 -0.642) 7.894 11.082 ( -10.713 0.000 12.369) 16.364 11.198 ( 1.886 0.000 1.429) 2.366 11.411 ( 3.548 0.000 -17.072) 17.437 11.546 ( 1.197 0.000 -10.253) 10.322 11.907 ( -4.969 0.000 -5.022) 7.065 11.948 ( -6.818 0.000 -12.812) 14.514 12.524 ( 1.516 0.000 2.350) 2.797 12.642 ( -4.756 0.000 -3.470) 5.888 13.046 ( -5.806 0.000 8.477) 10.275 13.595 ( -10.049 0.000 -9.015) 13.500 14.455 ( 5.487 0.000 7.669) 9.430 14.955 ( 1.954 0.000 -9.628) 9.824 15.826 ( 0.303 0.000 -3.645) 3.658 15.989 ( -0.235 0.000 -7.400) 7.404 16.114 ( -5.170 0.000 -1.873) 5.499 16.156 ( -4.440 0.000 -3.071) 5.398 16.487 ( 2.153 0.000 2.216) 3.089 16.596 ( 3.091 0.000 -0.800) 3.193 16.906 ( 2.907 0.000 1.295) 3.182 17.227 ( -2.871 0.000 -7.875) 8.382 17.233 ( 0.431 0.000 5.994) 6.009 17.634 ( 6.269 0.000 9.883) 11.704 17.639 ( -5.053 0.000 -6.735) 8.420 18.036 ( 2.681 0.000 7.406) 7.876 18.065 ( -1.336 0.000 -1.082) 1.719 18.231 ( -2.002 0.000 -1.456) 2.475 ======================= Grid point 138 (49/75) ======================= q-point: ( 0.33 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 15.051 0.000 14.689) 21.031 2.000 ( 9.575 0.000 7.984) 12.467 2.076 ( 11.037 0.000 12.575) 16.732 2.365 ( 7.678 0.000 0.206) 7.681 2.585 ( -1.255 0.000 -2.888) 3.149 2.606 ( 2.821 0.000 0.760) 2.922 2.627 ( -3.291 0.000 -3.072) 4.501 2.766 ( 2.808 0.000 1.516) 3.191 2.904 ( -2.320 0.000 -3.144) 3.907 3.071 ( -6.286 0.000 -0.646) 6.319 3.100 ( -5.043 0.000 5.201) 7.244 3.228 ( -1.741 0.000 -7.445) 7.646 3.525 ( 10.232 0.000 -6.719) 12.241 3.611 ( -5.596 0.000 -5.584) 7.905 3.736 ( 7.218 0.000 7.755) 10.594 3.900 ( -8.604 0.000 1.053) 8.669 3.962 ( 0.235 0.000 0.140) 0.273 4.109 ( -4.358 0.000 -3.623) 5.667 4.376 ( -6.476 0.000 0.977) 6.549 4.511 ( -11.476 0.000 -9.554) 14.932 4.832 ( -1.347 0.000 6.969) 7.097 4.915 ( -3.646 0.000 -3.611) 5.132 5.098 ( 2.793 0.000 -4.449) 5.253 5.105 ( 8.483 0.000 7.713) 11.465 5.299 ( -3.873 0.000 -5.505) 6.730 5.338 ( 8.408 0.000 1.299) 8.508 5.345 ( 0.813 0.000 1.408) 1.626 5.742 ( -3.739 0.000 -5.887) 6.974 6.805 ( 7.598 0.000 4.373) 8.767 6.912 ( 5.220 0.000 1.413) 5.408 6.943 ( 2.420 0.000 -1.127) 2.670 7.121 ( 0.695 0.000 -2.178) 2.286 8.377 ( 22.666 0.000 3.665) 22.960 8.478 ( 14.923 0.000 1.237) 14.974 8.668 ( 12.401 0.000 6.916) 14.200 8.789 ( -0.032 0.000 6.462) 6.462 8.939 ( 6.172 0.000 4.500) 7.638 9.051 ( 6.920 0.000 2.069) 7.223 9.482 ( -3.502 0.000 9.966) 10.563 9.704 ( 17.011 0.000 16.416) 23.640 9.709 ( 10.223 0.000 6.892) 12.329 9.766 ( -9.684 0.000 13.580) 16.679 10.140 ( 1.481 0.000 8.529) 8.657 10.288 ( -1.858 0.000 0.247) 1.875 10.562 ( 1.241 0.000 -0.507) 1.340 10.572 ( -14.257 0.000 5.719) 15.361 10.943 ( 1.180 0.000 12.800) 12.854 11.286 ( 4.923 0.000 -7.714) 9.152 11.473 ( 2.326 0.000 -14.564) 14.748 11.596 ( 4.218 0.000 -5.623) 7.029 11.773 ( -10.434 0.000 -11.751) 15.715 11.828 ( -2.926 0.000 -5.084) 5.866 12.525 ( -1.024 0.000 2.953) 3.126 12.554 ( -3.894 0.000 0.906) 3.998 12.992 ( 0.410 0.000 2.841) 2.870 13.389 ( -10.294 0.000 -8.426) 13.303 14.596 ( 8.451 0.000 4.848) 9.743 14.965 ( -1.079 0.000 -7.449) 7.527 15.841 ( 1.206 0.000 -6.542) 6.652 15.971 ( -1.627 0.000 -9.150) 9.294 16.033 ( -2.966 0.000 -2.852) 4.115 16.069 ( -4.060 0.000 -4.423) 6.004 16.531 ( 2.246 0.000 2.663) 3.484 16.630 ( 0.377 0.000 0.013) 0.377 16.972 ( 3.749 0.000 -1.010) 3.883 17.175 ( -2.424 0.000 -6.068) 6.534 17.251 ( 1.399 0.000 3.978) 4.217 17.509 ( -7.242 0.000 -4.585) 8.571 17.757 ( 6.116 0.000 7.528) 9.699 18.044 ( -1.753 0.000 -0.129) 1.758 18.094 ( 2.974 0.000 7.198) 7.788 18.190 ( -1.667 0.000 2.762) 3.226 ======================= Grid point 139 (50/75) ======================= q-point: ( 0.44 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 6.183 0.000 7.619) 9.812 2.174 ( 6.464 0.000 12.237) 13.839 2.305 ( 10.028 0.000 11.154) 14.999 2.427 ( -2.203 0.000 2.149) 3.078 2.549 ( -2.309 0.000 -1.336) 2.668 2.550 ( -1.865 0.000 -0.005) 1.865 2.676 ( 4.117 0.000 4.375) 6.007 2.760 ( -3.185 0.000 4.136) 5.220 2.922 ( 0.552 0.000 -3.564) 3.606 2.955 ( -4.353 0.000 -1.869) 4.737 3.024 ( 2.569 0.000 2.444) 3.546 3.152 ( -6.569 0.000 -5.936) 8.853 3.549 ( 0.840 0.000 -5.276) 5.343 3.623 ( -3.822 0.000 -3.810) 5.397 3.829 ( 6.096 0.000 -2.636) 6.641 3.950 ( -3.969 0.000 -1.987) 4.438 3.955 ( 11.812 0.000 -6.505) 13.484 4.082 ( 1.851 0.000 -4.228) 4.615 4.242 ( -6.277 0.000 -0.442) 6.293 4.267 ( -11.795 0.000 -9.756) 15.307 4.811 ( -0.152 0.000 5.238) 5.240 4.840 ( -3.059 0.000 1.550) 3.429 5.155 ( 3.006 0.000 -5.961) 6.676 5.220 ( -3.634 0.000 -6.529) 7.472 5.261 ( 6.451 0.000 4.824) 8.055 5.344 ( -1.823 0.000 4.080) 4.468 5.502 ( 7.902 0.000 0.013) 7.902 5.644 ( -6.176 0.000 -3.107) 6.914 6.914 ( 3.752 0.000 1.883) 4.198 6.960 ( -0.802 0.000 0.130) 0.812 7.027 ( 5.388 0.000 2.220) 5.827 7.105 ( -2.340 0.000 0.924) 2.516 8.678 ( 5.875 0.000 5.316) 7.923 8.728 ( 4.736 0.000 1.614) 5.003 8.811 ( 8.503 0.000 7.338) 11.232 8.890 ( 6.534 0.000 1.925) 6.812 9.056 ( 4.578 0.000 3.092) 5.525 9.110 ( -0.595 0.000 2.388) 2.461 9.423 ( -0.212 0.000 14.515) 14.517 9.547 ( -10.752 0.000 14.058) 17.699 9.953 ( 13.695 0.000 6.553) 15.182 10.006 ( 12.133 0.000 13.434) 18.102 10.189 ( 0.556 0.000 -1.423) 1.528 10.190 ( -7.254 0.000 8.089) 10.865 10.290 ( -8.900 0.000 13.051) 15.797 10.430 ( -10.798 0.000 2.525) 11.089 11.129 ( 12.705 0.000 2.000) 12.861 11.315 ( -3.665 0.000 -8.272) 9.048 11.503 ( 1.147 0.000 -11.912) 11.967 11.574 ( -7.731 0.000 -9.264) 12.066 11.703 ( 5.437 0.000 -3.839) 6.656 11.781 ( -2.499 0.000 -4.716) 5.337 12.499 ( -1.326 0.000 3.217) 3.479 12.500 ( -1.072 0.000 3.566) 3.723 13.054 ( 5.545 0.000 -3.025) 6.316 13.199 ( -8.705 0.000 -6.786) 11.037 14.769 ( 8.340 0.000 0.968) 8.396 14.905 ( -5.052 0.000 -3.425) 6.104 15.874 ( 2.191 0.000 -9.351) 9.605 15.925 ( -2.781 0.000 -10.567) 10.927 15.997 ( -0.577 0.000 -3.416) 3.464 16.009 ( -1.790 0.000 -3.832) 4.230 16.576 ( 2.281 0.000 2.125) 3.118 16.616 ( -1.566 0.000 1.060) 1.891 17.051 ( 4.065 0.000 -2.956) 5.026 17.123 ( -3.047 0.000 -4.525) 5.455 17.292 ( 2.942 0.000 1.374) 3.247 17.377 ( -5.674 0.000 -1.630) 5.904 17.875 ( 5.680 0.000 4.643) 7.336 17.979 ( -4.586 0.000 1.651) 4.874 18.144 ( 1.898 0.000 6.572) 6.840 18.169 ( -0.773 0.000 5.474) 5.528 ======================= Grid point 144 (51/75) ======================= q-point: ( 0.00 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 7.239 17.952) 19.357 1.473 ( 0.000 4.889 15.872) 16.608 1.872 ( 0.000 -10.003 -3.466) 10.587 1.948 ( 0.000 -1.248 8.063) 8.159 2.164 ( 0.000 -7.183 5.125) 8.824 2.567 ( 0.000 6.959 -6.538) 9.549 2.632 ( 0.000 -1.135 -7.808) 7.890 2.742 ( 0.000 4.034 1.958) 4.484 2.850 ( 0.000 14.917 13.945) 20.420 3.005 ( 0.000 -5.887 -6.965) 9.120 3.164 ( 0.000 -4.484 8.497) 9.608 3.371 ( 0.000 5.895 0.304) 5.903 3.457 ( 0.000 10.005 3.018) 10.450 3.869 ( 0.000 -12.381 -1.617) 12.486 4.037 ( 0.000 1.260 3.959) 4.154 4.077 ( 0.000 3.908 6.641) 7.705 4.166 ( 0.000 1.234 1.872) 2.243 4.436 ( 0.000 -0.720 -0.331) 0.792 4.561 ( 0.000 -5.968 8.508) 10.392 4.587 ( 0.000 -1.714 -2.350) 2.909 4.655 ( 0.000 -7.603 8.241) 11.212 4.722 ( 0.000 0.983 -5.041) 5.136 5.029 ( 0.000 -2.549 8.917) 9.274 5.065 ( 0.000 -2.746 3.088) 4.133 5.258 ( 0.000 9.767 -9.039) 13.308 5.354 ( 0.000 9.295 11.441) 14.741 5.531 ( 0.000 3.538 -10.373) 10.960 5.797 ( 0.000 -4.421 1.793) 4.770 6.451 ( 0.000 10.947 -2.528) 11.236 6.758 ( 0.000 -1.990 -3.122) 3.702 6.763 ( 0.000 -6.358 -3.457) 7.237 6.955 ( 0.000 -1.658 -11.213) 11.335 7.470 ( 0.000 5.412 5.028) 7.387 7.755 ( 0.000 -1.063 -3.904) 4.046 8.069 ( 0.000 -3.085 2.339) 3.871 8.181 ( 0.000 -8.265 0.569) 8.285 8.812 ( 0.000 3.505 7.083) 7.903 8.862 ( 0.000 2.469 5.085) 5.653 9.058 ( 0.000 3.815 21.306) 21.645 9.306 ( 0.000 -0.573 10.918) 10.933 9.759 ( 0.000 2.098 20.569) 20.676 9.812 ( 0.000 1.220 -1.276) 1.765 10.004 ( 0.000 -0.673 18.492) 18.504 10.139 ( 0.000 -4.004 11.170) 11.866 10.280 ( 0.000 5.747 -12.191) 13.478 10.809 ( 0.000 -7.682 -9.065) 11.882 11.276 ( 0.000 2.317 9.329) 9.612 11.341 ( 0.000 2.786 -19.657) 19.853 11.433 ( 0.000 3.337 -2.078) 3.931 11.585 ( 0.000 7.760 2.103) 8.040 11.795 ( 0.000 -14.586 -6.844) 16.112 12.313 ( 0.000 9.716 -5.403) 11.117 12.418 ( 0.000 1.222 2.892) 3.139 12.639 ( 0.000 -14.917 0.672) 14.932 13.179 ( 0.000 -3.713 4.533) 5.860 13.732 ( 0.000 -10.134 -10.059) 14.279 14.562 ( 0.000 16.389 2.724) 16.614 14.904 ( 0.000 3.654 -6.956) 7.857 15.812 ( 0.000 -1.133 0.669) 1.316 15.994 ( 0.000 0.920 -2.745) 2.895 16.159 ( 0.000 -7.917 2.258) 8.233 16.317 ( 0.000 -3.962 -1.305) 4.171 16.477 ( 0.000 4.698 -1.685) 4.991 16.480 ( 0.000 6.191 -2.343) 6.619 16.864 ( 0.000 1.923 3.736) 4.202 17.151 ( 0.000 -7.260 1.190) 7.357 17.341 ( 0.000 1.099 -3.259) 3.439 17.416 ( 0.000 -4.302 10.930) 11.746 17.701 ( 0.000 1.403 -7.868) 7.992 17.909 ( 0.000 -5.808 -0.280) 5.815 18.268 ( 0.000 4.551 0.181) 4.555 18.271 ( 0.000 4.889 -4.235) 6.468 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.11 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 9.528 6.362 16.664) 20.222 1.556 ( 7.870 3.479 16.052) 18.213 1.851 ( -0.605 -7.614 -0.584) 7.660 2.043 ( 8.583 -1.058 6.317) 10.710 2.249 ( 6.625 -7.487 5.177) 11.258 2.531 ( -0.532 2.389 -7.712) 8.092 2.687 ( 2.642 1.296 -5.099) 5.887 2.743 ( 1.206 9.398 0.168) 9.476 2.960 ( 9.103 8.548 7.151) 14.390 2.992 ( -2.362 -8.251 -6.463) 10.744 3.159 ( 0.695 -1.827 6.389) 6.681 3.365 ( -0.931 5.087 1.036) 5.274 3.439 ( -1.872 9.349 2.511) 9.860 3.782 ( -6.015 -6.157 -2.846) 9.066 3.916 ( -9.420 1.249 7.935) 12.380 4.068 ( -3.687 -0.726 1.165) 3.934 4.213 ( 3.379 1.169 3.534) 5.027 4.338 ( -7.437 3.721 0.376) 8.324 4.465 ( -5.145 -6.883 3.368) 9.230 4.693 ( 3.931 -3.498 2.976) 6.045 4.721 ( 7.046 -6.293 4.107) 10.301 4.823 ( 7.124 -1.711 -1.397) 7.458 4.951 ( -5.759 -2.181 -1.564) 6.354 5.020 ( -2.538 -2.370 6.405) 7.286 5.217 ( -4.414 8.315 4.461) 10.417 5.405 ( 3.691 8.659 0.111) 9.414 5.493 ( -3.255 2.383 -8.403) 9.321 5.799 ( -0.467 -2.989 -1.654) 3.448 6.515 ( 6.402 8.769 -0.530) 10.871 6.735 ( 0.412 -4.013 -2.639) 4.821 6.843 ( 4.593 -1.322 -1.483) 5.004 6.984 ( 3.098 -1.852 -9.973) 10.606 7.602 ( 13.021 4.971 4.451) 14.631 7.859 ( 10.164 -1.029 -3.147) 10.690 8.159 ( 9.189 -3.400 3.295) 10.337 8.355 ( 14.373 -8.705 0.620) 16.815 8.838 ( 2.049 4.011 6.443) 7.861 8.862 ( 0.825 3.397 6.027) 6.967 9.140 ( 8.276 2.499 21.196) 22.891 9.366 ( 5.388 -1.457 10.369) 11.776 9.684 ( -3.629 4.559 8.381) 10.208 9.923 ( 6.317 -1.107 9.327) 11.320 10.011 ( 0.193 0.106 17.518) 17.519 10.142 ( 1.408 -4.332 10.329) 11.289 10.328 ( 4.580 5.381 -10.742) 12.858 10.813 ( -0.100 -6.763 -8.119) 10.567 11.220 ( -5.516 1.954 7.815) 9.763 11.351 ( 0.215 3.504 -14.314) 14.738 11.393 ( -2.907 4.323 -1.349) 5.381 11.563 ( -1.429 3.425 -3.260) 4.940 11.785 ( -1.081 -10.801 -6.438) 12.621 12.226 ( -6.290 6.956 -4.217) 10.282 12.469 ( 2.163 -0.146 0.405) 2.206 12.663 ( 2.523 -8.770 1.257) 9.212 13.100 ( -7.176 -3.217 5.209) 9.433 13.671 ( -5.901 -9.603 -9.866) 14.979 14.553 ( -0.207 14.948 3.708) 15.402 14.932 ( 2.417 2.742 -8.356) 9.120 15.759 ( -3.958 -4.290 -1.495) 6.025 16.012 ( -2.042 -5.387 0.634) 5.796 16.116 ( -0.492 0.453 -2.481) 2.570 16.309 ( -0.978 0.283 -1.750) 2.025 16.455 ( -0.377 2.960 -0.740) 3.074 16.566 ( 5.528 4.592 -1.588) 7.360 16.871 ( 0.677 1.001 2.703) 2.960 17.146 ( -0.463 -6.937 0.895) 7.010 17.318 ( -1.385 1.685 -1.202) 2.491 17.474 ( 4.538 -3.991 8.125) 10.126 17.702 ( -0.107 1.143 -6.936) 7.030 17.901 ( -0.676 -6.491 0.129) 6.528 18.217 ( -2.475 6.398 0.866) 6.914 18.288 ( -0.447 3.112 -2.072) 3.765 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.22 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 14.830 5.321 14.560) 21.453 1.758 ( 11.887 0.212 15.316) 19.388 1.884 ( 4.117 -4.664 3.926) 7.357 2.239 ( 10.142 1.014 3.604) 10.811 2.380 ( 6.715 -6.601 5.856) 11.089 2.558 ( 2.145 -1.223 -7.487) 7.884 2.709 ( -0.965 2.023 -3.825) 4.434 2.790 ( 2.419 8.606 -1.594) 9.081 2.919 ( -2.675 -7.605 -6.403) 10.295 3.125 ( 4.145 4.057 -3.144) 6.597 3.198 ( 2.177 2.168 6.473) 7.165 3.335 ( -2.177 4.700 -2.300) 5.668 3.385 ( -1.744 3.663 0.941) 4.165 3.673 ( -5.855 -1.914 -4.164) 7.435 3.759 ( -3.704 1.616 8.704) 9.597 3.954 ( -6.206 -1.640 1.190) 6.529 4.150 ( -10.116 2.845 1.592) 10.628 4.257 ( -0.902 3.965 2.291) 4.667 4.359 ( -5.384 -7.483 -2.081) 9.450 4.734 ( -5.885 -0.886 -0.158) 5.954 4.796 ( 5.617 -3.436 0.631) 6.615 4.932 ( 3.946 -3.449 7.618) 9.247 4.949 ( 1.469 0.270 -3.935) 4.209 5.006 ( 4.881 -9.452 2.426) 10.911 5.135 ( -2.417 7.194 3.175) 8.226 5.407 ( -3.991 -0.218 -2.863) 4.917 5.464 ( 1.120 9.772 -3.983) 10.612 5.771 ( -2.140 -2.544 -4.741) 5.790 6.680 ( 9.125 5.877 2.375) 11.110 6.772 ( 3.291 -2.677 -1.168) 4.400 6.931 ( 4.368 1.789 -0.627) 4.761 7.060 ( 3.693 -2.068 -6.092) 7.418 7.951 ( 20.773 3.085 3.371) 21.269 8.139 ( 17.297 -0.477 -0.328) 17.307 8.395 ( 13.377 -2.377 5.216) 14.553 8.633 ( 11.825 -9.084 1.684) 15.006 8.845 ( -0.120 3.782 6.035) 7.123 8.958 ( 7.403 3.926 6.746) 10.757 9.374 ( 14.681 0.788 18.426) 23.573 9.493 ( 6.692 -1.946 12.133) 13.992 9.629 ( -1.659 6.005 3.929) 7.365 9.912 ( -6.512 -2.292 12.817) 14.558 10.074 ( 4.570 -0.179 11.815) 12.670 10.225 ( 6.066 -3.726 4.945) 8.668 10.445 ( 6.706 3.648 -3.159) 8.262 10.768 ( -5.435 -3.595 -2.580) 7.008 11.067 ( -9.450 1.422 7.311) 12.032 11.319 ( -0.156 8.154 -0.146) 8.157 11.398 ( 1.348 -1.574 -15.168) 15.309 11.546 ( -0.120 -1.528 -6.997) 7.163 11.758 ( -1.172 -3.779 -6.819) 7.884 12.086 ( -7.770 5.389 -5.761) 11.073 12.481 ( -0.497 -2.990 1.106) 3.226 12.720 ( 2.128 3.148 -0.145) 3.802 12.943 ( -6.985 -5.688 6.735) 11.248 13.516 ( -9.186 -8.234 -9.207) 15.393 14.581 ( 3.400 11.988 4.120) 13.124 14.981 ( 2.103 2.138 -9.494) 9.957 15.685 ( -3.295 -8.908 -4.284) 10.419 15.904 ( -6.506 -12.644 -0.854) 14.245 16.153 ( 2.084 9.412 -3.654) 10.309 16.284 ( -1.437 5.602 -3.825) 6.934 16.453 ( 0.130 -0.777 0.312) 0.848 16.667 ( 4.194 5.028 -0.293) 6.553 16.890 ( 1.218 -1.488 0.390) 1.962 17.139 ( -0.087 -5.711 -0.250) 5.718 17.295 ( -0.938 3.279 -0.334) 3.427 17.543 ( 0.652 -5.326 1.548) 5.585 17.698 ( 0.693 2.392 -0.651) 2.574 17.902 ( 1.339 -7.321 1.772) 7.650 18.188 ( -0.585 6.271 3.693) 7.301 18.258 ( -2.262 2.326 0.167) 3.249 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.33 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 11.685 2.025 15.457) 19.482 1.986 ( 9.695 -1.608 6.710) 11.900 2.038 ( 13.360 -1.011 11.237) 17.487 2.419 ( 7.509 3.219 2.662) 8.593 2.523 ( 7.108 -5.760 3.241) 9.705 2.579 ( -0.466 -0.591 -2.029) 2.164 2.665 ( -2.389 2.426 -1.369) 3.670 2.771 ( -2.636 0.402 -2.874) 3.921 2.941 ( 2.073 3.371 -4.724) 6.162 3.074 ( -5.651 2.153 2.152) 6.419 3.184 ( -5.270 5.393 3.403) 8.273 3.257 ( -4.327 3.836 -8.387) 10.187 3.455 ( 6.854 -6.786 -6.155) 11.442 3.577 ( -3.572 -2.292 -5.599) 7.025 3.753 ( -1.721 -4.982 0.345) 5.282 3.852 ( -0.895 5.645 5.770) 8.122 3.998 ( -2.862 2.158 0.833) 3.679 4.161 ( -8.061 -9.013 -3.173) 12.501 4.282 ( -2.723 6.632 -5.246) 8.884 4.582 ( -8.492 1.745 -0.397) 8.678 4.858 ( -0.003 0.495 -2.096) 2.153 4.931 ( -1.182 1.791 2.272) 3.126 5.026 ( 5.020 -6.775 4.866) 9.735 5.101 ( 1.563 -0.024 -3.199) 3.561 5.194 ( 8.574 -3.932 0.698) 9.459 5.335 ( -2.678 0.747 -1.150) 3.008 5.479 ( 0.508 6.582 0.271) 6.607 5.713 ( -3.960 -2.893 -4.488) 6.648 6.815 ( 4.045 0.378 1.669) 4.392 6.885 ( 7.650 1.313 1.693) 7.944 7.010 ( 3.305 3.166 -0.461) 4.600 7.110 ( 1.178 -1.138 -2.072) 2.642 8.361 ( 18.611 -0.860 0.694) 18.644 8.493 ( 16.736 0.037 5.332) 17.565 8.667 ( 14.484 0.071 4.880) 15.284 8.818 ( 6.808 -3.256 4.049) 8.564 8.847 ( 1.020 1.565 5.815) 6.107 9.102 ( 6.086 1.188 6.036) 8.654 9.514 ( -4.136 3.230 9.777) 11.096 9.692 ( 16.051 -0.766 14.587) 21.703 9.712 ( 4.055 -0.786 9.066) 9.963 9.743 ( -4.500 -1.556 10.256) 11.307 10.123 ( 0.614 -0.412 7.138) 7.176 10.308 ( 0.502 -0.641 0.978) 1.273 10.537 ( -3.909 -0.010 6.737) 7.789 10.631 ( -3.134 4.386 0.903) 5.466 10.903 ( -3.869 -1.729 9.483) 10.387 11.351 ( 0.299 -0.767 -7.362) 7.408 11.398 ( -0.494 -2.543 -11.718) 12.000 11.572 ( 2.937 -3.151 -7.169) 8.363 11.762 ( 1.690 4.780 -8.566) 9.954 11.927 ( -7.707 5.200 -6.359) 11.264 12.464 ( -0.934 -1.767 2.839) 3.472 12.703 ( -3.334 11.065 -0.114) 11.557 12.891 ( 1.780 -10.021 4.291) 11.045 13.328 ( -9.360 -6.452 -7.858) 13.820 14.689 ( 7.142 9.340 2.519) 12.024 15.004 ( -0.091 3.751 -7.937) 8.779 15.630 ( -2.169 -13.286 -6.883) 15.120 15.786 ( -5.082 -14.673 -3.519) 15.922 16.180 ( 0.766 10.674 -3.833) 11.367 16.253 ( -1.590 10.698 -5.912) 12.326 16.460 ( 0.542 -4.016 1.002) 4.175 16.726 ( 1.829 6.561 0.845) 6.863 16.919 ( 1.589 -4.837 -2.315) 5.593 17.148 ( 1.088 -3.337 -1.294) 3.741 17.277 ( -1.032 2.829 0.137) 3.015 17.482 ( -5.227 -2.758 -3.490) 6.863 17.750 ( 3.522 -0.211 4.692) 5.871 17.952 ( 3.279 -6.378 3.318) 7.902 18.164 ( -2.695 4.539 3.344) 6.249 18.227 ( -0.077 2.787 4.587) 5.368 ======================= Grid point 148 (55/75) ======================= q-point: ( 0.44 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.004 -2.080 9.871) 10.853 2.200 ( 8.127 -4.140 11.305) 14.526 2.282 ( 8.143 4.360 8.593) 12.615 2.498 ( -1.021 3.990 3.197) 5.214 2.527 ( -1.463 2.301 0.726) 2.822 2.645 ( 3.310 -2.805 5.176) 6.753 2.653 ( 1.364 4.438 1.746) 4.960 2.726 ( -1.979 -2.024 1.517) 3.212 2.941 ( -1.262 2.605 -1.554) 3.285 3.010 ( -0.629 4.866 -4.804) 6.867 3.068 ( -2.750 4.047 1.929) 5.259 3.166 ( -5.003 1.695 -6.380) 8.283 3.512 ( 0.019 -3.606 -6.239) 7.206 3.570 ( -3.271 -4.689 -4.847) 7.496 3.679 ( 4.260 -12.633 -8.635) 15.884 3.943 ( -6.321 -8.055 -8.761) 13.475 3.991 ( 9.288 7.449 1.456) 11.994 4.041 ( -0.853 -4.287 2.134) 4.865 4.203 ( -5.993 6.985 -4.458) 10.226 4.441 ( -4.218 6.990 -3.144) 8.749 4.834 ( -1.292 2.024 -1.840) 3.025 4.912 ( -0.520 6.322 5.542) 8.423 5.087 ( 1.052 -7.289 -6.098) 9.561 5.138 ( 1.532 -2.359 -2.771) 3.949 5.309 ( 0.026 -0.434 2.109) 2.153 5.351 ( 5.208 1.741 2.446) 6.011 5.501 ( 2.637 -0.129 1.172) 2.889 5.612 ( -5.875 -3.211 -2.067) 7.007 6.871 ( 1.550 -1.124 1.243) 2.283 7.014 ( 4.729 1.012 2.230) 5.325 7.053 ( 0.698 3.052 0.511) 3.172 7.109 ( -0.957 0.955 -0.001) 1.352 8.605 ( 5.563 -3.983 0.787) 6.887 8.758 ( 8.496 -4.404 4.926) 10.763 8.835 ( -0.481 5.901 6.750) 8.979 8.957 ( 6.496 -0.047 4.138) 7.702 8.965 ( 11.048 3.918 3.308) 12.180 9.187 ( 2.944 1.478 5.295) 6.236 9.402 ( -6.268 -1.593 12.269) 13.869 9.507 ( -9.591 -3.788 13.035) 16.621 9.951 ( 12.580 -0.329 6.103) 13.986 9.981 ( 11.058 -2.256 11.526) 16.131 10.113 ( -2.285 -1.974 5.151) 5.971 10.208 ( -10.719 -1.862 2.435) 11.149 10.412 ( -0.785 10.171 11.943) 15.707 10.524 ( -8.522 9.539 3.876) 13.365 11.001 ( 9.345 -10.217 3.430) 14.265 11.257 ( -7.233 -12.031 -3.578) 14.486 11.417 ( 0.705 3.114 -12.187) 12.598 11.642 ( 3.124 -3.936 -6.245) 8.015 11.767 ( -2.857 9.751 -11.699) 15.495 11.840 ( 0.269 4.423 -5.734) 7.247 12.453 ( -0.069 0.896 4.105) 4.202 12.643 ( -1.966 9.751 2.662) 10.297 12.966 ( 4.673 -8.779 -2.232) 10.192 13.159 ( -6.925 -4.504 -5.243) 9.784 14.841 ( 7.543 7.586 -0.447) 10.707 14.964 ( -4.146 6.207 -4.134) 8.533 15.601 ( -0.747 -16.034 -8.843) 18.326 15.713 ( -2.021 -16.184 -5.352) 17.165 16.191 ( 0.403 9.397 -3.837) 10.158 16.225 ( -0.988 14.886 -7.158) 16.547 16.470 ( 0.312 -5.631 1.114) 5.749 16.746 ( 0.369 7.813 1.546) 7.973 16.946 ( 0.854 -7.648 -4.514) 8.922 17.184 ( 2.495 0.658 -1.975) 3.250 17.246 ( -2.239 -1.250 -0.350) 2.588 17.393 ( -2.731 0.451 -1.184) 3.011 17.807 ( 1.737 -3.236 2.875) 4.664 18.017 ( 3.006 -5.071 4.751) 7.571 18.098 ( -3.261 4.903 4.226) 7.248 18.236 ( 0.404 2.689 6.293) 6.856 ======================= Grid point 153 (56/75) ======================= q-point: ( 0.00 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.000 10.986 16.918) 20.172 1.560 ( 0.000 4.543 12.125) 12.949 1.696 ( 0.000 -7.685 2.790) 8.176 1.763 ( 0.000 -13.152 13.472) 18.827 2.258 ( 0.000 11.462 -3.605) 12.016 2.485 ( 0.000 -12.126 -5.345) 13.251 2.748 ( 0.000 10.950 -4.514) 11.844 2.831 ( 0.000 4.162 3.864) 5.679 2.954 ( 0.000 -3.035 -10.255) 10.695 2.973 ( 0.000 -3.046 -2.447) 3.907 3.234 ( 0.000 13.571 17.458) 22.112 3.430 ( 0.000 -0.795 1.201) 1.440 3.571 ( 0.000 0.832 -1.210) 1.468 3.614 ( 0.000 -11.490 4.516) 12.346 4.096 ( 0.000 7.126 4.810) 8.597 4.182 ( 0.000 5.052 4.072) 6.489 4.240 ( 0.000 5.470 2.013) 5.828 4.336 ( 0.000 -10.065 9.572) 13.890 4.425 ( 0.000 -6.026 3.696) 7.069 4.432 ( 0.000 -6.808 9.733) 11.878 4.687 ( 0.000 3.074 -6.824) 7.485 4.724 ( 0.000 -0.873 -6.851) 6.906 5.006 ( 0.000 0.353 6.210) 6.220 5.029 ( 0.000 -1.642 4.281) 4.585 5.405 ( 0.000 5.325 -8.038) 9.641 5.444 ( 0.000 0.958 2.637) 2.806 5.640 ( 0.000 6.100 -1.501) 6.282 5.722 ( 0.000 -3.601 8.127) 8.889 6.672 ( 0.000 11.883 -8.155) 14.412 6.684 ( 0.000 -1.370 -3.804) 4.043 6.708 ( 0.000 -2.930 -3.815) 4.811 6.862 ( 0.000 -8.119 -10.284) 13.102 7.602 ( 0.000 8.006 4.111) 8.999 7.719 ( 0.000 -3.717 1.247) 3.921 8.010 ( 0.000 -2.270 -2.420) 3.318 8.034 ( 0.000 -5.670 -3.576) 6.703 8.869 ( 0.000 2.252 9.743) 10.000 8.889 ( 0.000 0.164 9.127) 9.128 9.162 ( 0.000 6.602 17.492) 18.697 9.266 ( 0.000 -4.049 14.182) 14.748 9.808 ( 0.000 2.706 12.895) 13.176 9.833 ( 0.000 0.385 2.984) 3.009 9.999 ( 0.000 0.836 17.161) 17.181 10.052 ( 0.000 -4.608 12.515) 13.337 10.429 ( 0.000 10.018 -12.335) 15.891 10.630 ( 0.000 -11.041 -11.299) 15.798 11.364 ( 0.000 6.749 4.613) 8.175 11.394 ( 0.000 2.529 -16.139) 16.336 11.444 ( 0.000 -0.660 -17.826) 17.838 11.552 ( 0.000 -11.387 -4.482) 12.237 11.840 ( 0.000 18.538 19.742) 27.082 12.229 ( 0.000 -21.946 17.692) 28.190 12.444 ( 0.000 1.285 1.183) 1.747 12.448 ( 0.000 0.993 -1.560) 1.849 13.259 ( 0.000 10.610 -7.728) 13.126 13.499 ( 0.000 -14.031 -10.739) 17.669 14.829 ( 0.000 10.946 -3.149) 11.390 14.940 ( 0.000 -1.160 -5.643) 5.761 15.820 ( 0.000 2.883 3.848) 4.808 15.924 ( 0.000 -7.476 5.677) 9.387 16.126 ( 0.000 4.114 -4.129) 5.829 16.225 ( 0.000 -5.696 -2.728) 6.316 16.564 ( 0.000 3.764 -2.716) 4.641 16.576 ( 0.000 3.040 -3.434) 4.586 16.904 ( 0.000 3.065 2.367) 3.872 17.006 ( 0.000 -7.667 1.088) 7.744 17.347 ( 0.000 -0.083 1.515) 1.517 17.356 ( 0.000 -1.625 6.256) 6.463 17.740 ( 0.000 2.902 -7.774) 8.298 17.810 ( 0.000 -4.660 -5.890) 7.510 18.338 ( 0.000 2.257 1.011) 2.473 18.340 ( 0.000 2.048 -0.051) 2.048 ======================= Grid point 154 (57/75) ======================= q-point: ( 0.11 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 6.505 7.154 13.558) 16.653 1.622 ( 5.841 3.835 14.301) 15.917 1.724 ( 3.979 -3.422 4.935) 7.204 1.863 ( 8.856 -12.803 11.504) 19.356 2.328 ( 6.115 10.108 -2.987) 12.185 2.516 ( 2.198 -8.122 -4.285) 9.443 2.708 ( -1.500 5.769 -5.612) 8.187 2.833 ( -3.429 -5.416 -0.800) 6.460 2.923 ( 2.018 7.470 -5.085) 9.259 3.050 ( 4.654 -3.723 -5.143) 7.872 3.254 ( 1.791 11.857 13.666) 18.182 3.404 ( -2.720 -1.215 2.438) 3.849 3.559 ( -1.240 2.224 -1.216) 2.821 3.622 ( 0.584 -8.235 0.933) 8.308 3.978 ( -9.266 6.636 3.200) 11.838 4.096 ( -7.372 -1.235 2.832) 7.993 4.235 ( -1.824 2.491 7.470) 8.083 4.321 ( -3.438 -6.180 5.844) 9.174 4.405 ( 1.613 3.741 4.141) 5.809 4.521 ( 6.251 -9.153 5.355) 12.310 4.725 ( 2.365 1.405 -4.176) 5.000 4.764 ( 2.030 -3.162 -1.826) 4.178 4.948 ( -2.730 1.714 -0.404) 3.249 4.986 ( -3.441 -2.015 2.282) 4.594 5.358 ( -3.899 6.230 2.270) 7.692 5.439 ( -2.025 -2.439 -0.702) 3.247 5.619 ( -0.457 7.927 -1.941) 8.174 5.734 ( -0.092 -4.522 1.772) 4.857 6.676 ( 3.383 5.856 -4.376) 8.056 6.718 ( 2.058 2.155 -3.779) 4.812 6.803 ( 7.079 -0.500 -3.437) 7.885 6.904 ( 3.890 -6.689 -8.353) 11.386 7.718 ( 11.393 6.804 3.354) 13.687 7.821 ( 10.261 -3.727 1.606) 11.035 8.116 ( 10.812 0.382 -2.176) 11.035 8.195 ( 13.262 -7.489 -1.513) 15.306 8.899 ( 2.434 2.156 8.305) 8.919 8.909 ( 2.071 1.156 8.170) 8.507 9.214 ( 5.805 5.261 19.024) 20.574 9.310 ( 4.492 -4.518 15.209) 16.490 9.794 ( -0.767 6.555 4.537) 8.009 9.890 ( 2.625 -3.141 5.980) 7.246 10.014 ( 1.683 0.519 17.729) 17.816 10.053 ( 1.509 -4.156 14.181) 14.854 10.467 ( 3.473 9.296 -11.351) 15.077 10.651 ( 1.761 -10.066 -10.297) 14.507 11.305 ( -5.706 6.719 3.960) 9.663 11.391 ( -0.979 0.450 -12.070) 12.118 11.431 ( -1.290 0.369 -15.234) 15.293 11.501 ( -3.503 -8.485 -7.092) 11.600 11.854 ( 1.017 16.113 14.578) 21.752 12.179 ( -4.126 -14.857 10.496) 18.652 12.449 ( 0.566 0.922 1.082) 1.530 12.504 ( 4.355 -4.563 5.048) 8.079 13.197 ( -5.745 11.529 -7.527) 14.919 13.445 ( -5.186 -13.953 -10.383) 18.149 14.817 ( -0.781 11.767 -2.544) 12.064 14.949 ( 0.931 -2.393 -6.513) 7.001 15.729 ( -7.066 1.985 1.029) 7.411 15.839 ( -7.302 -9.236 3.131) 12.183 16.192 ( 4.985 4.623 -2.388) 7.206 16.270 ( 2.900 -3.625 -1.476) 4.871 16.550 ( -0.617 6.010 -2.965) 6.730 16.621 ( 3.269 -0.281 -2.977) 4.431 16.902 ( -0.061 3.363 1.953) 3.889 17.008 ( 0.347 -7.388 1.233) 7.498 17.349 ( 0.806 2.113 2.120) 3.100 17.402 ( 3.200 -3.528 3.715) 6.040 17.734 ( -0.416 2.494 -6.279) 6.769 17.798 ( -0.952 -4.502 -4.469) 6.415 18.310 ( -1.942 3.237 1.928) 4.239 18.331 ( -1.402 0.925 0.879) 1.896 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.22 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 10.221 0.286 12.029) 15.787 1.768 ( 8.657 -0.743 10.229) 13.421 1.874 ( 10.866 7.659 10.772) 17.110 2.075 ( 11.850 -12.317 9.668) 19.636 2.453 ( 5.595 7.513 0.266) 9.372 2.547 ( 1.337 -1.595 -2.817) 3.503 2.713 ( 0.348 -0.431 -4.954) 4.985 2.758 ( -1.871 -5.711 -7.558) 9.656 2.987 ( 3.591 9.878 -4.466) 11.420 3.136 ( 3.230 -4.452 -5.228) 7.589 3.280 ( -0.123 4.654 6.467) 7.968 3.323 ( -4.845 -1.298 4.120) 6.491 3.514 ( -3.777 6.029 -3.576) 7.963 3.611 ( -2.766 -4.949 -6.389) 8.541 3.810 ( -5.955 6.613 2.937) 9.372 3.958 ( -5.164 -4.128 3.490) 7.476 4.148 ( -6.611 -0.927 4.790) 8.216 4.192 ( -8.836 -1.891 5.808) 10.742 4.450 ( 1.590 9.489 -2.434) 9.924 4.637 ( 1.378 -10.282 -0.749) 10.401 4.723 ( 1.063 0.350 4.089) 4.239 4.802 ( 3.256 -7.373 0.970) 8.118 4.957 ( 1.220 1.294 -0.175) 1.787 4.971 ( 3.770 0.112 -2.758) 4.673 5.272 ( -4.125 6.841 4.525) 9.181 5.373 ( -3.775 -3.801 0.963) 5.443 5.615 ( -0.760 6.505 -3.435) 7.396 5.710 ( -2.076 -4.089 -2.557) 5.250 6.776 ( 4.115 2.511 -1.968) 5.207 6.787 ( 6.205 3.608 -1.270) 7.289 6.938 ( 6.263 0.489 -1.596) 6.482 6.997 ( 4.972 -4.479 -4.553) 8.094 8.023 ( 18.072 4.531 1.926) 18.731 8.105 ( 17.273 -3.680 2.879) 17.893 8.383 ( 14.876 2.425 0.783) 15.093 8.479 ( 14.131 -7.217 1.803) 15.969 8.929 ( 1.203 4.449 7.049) 8.422 8.983 ( 4.391 -1.014 7.551) 8.794 9.401 ( 12.655 2.234 17.847) 21.992 9.450 ( 9.522 -2.736 15.960) 18.786 9.750 ( -4.010 6.441 2.873) 8.113 9.851 ( -6.132 -4.374 6.940) 10.242 10.086 ( 4.726 1.640 13.162) 14.080 10.142 ( 6.146 -4.336 10.903) 13.245 10.545 ( 3.719 6.677 -5.433) 9.377 10.672 ( -0.355 -6.552 -5.056) 8.283 11.153 ( -9.128 7.379 3.816) 12.342 11.305 ( -6.549 -7.737 -1.360) 10.227 11.429 ( 1.048 2.910 -14.992) 15.308 11.476 ( 0.761 -3.266 -14.967) 15.338 11.875 ( 1.173 12.865 5.424) 14.011 12.085 ( -5.211 -6.761 1.257) 8.628 12.463 ( 0.804 2.451 3.557) 4.394 12.589 ( 3.851 -10.635 8.723) 14.283 13.061 ( -7.141 13.188 -6.541) 16.362 13.313 ( -7.566 -13.109 -8.979) 17.599 14.823 ( 1.946 12.512 -2.170) 12.847 14.982 ( 2.586 -3.700 -7.821) 9.030 15.584 ( -7.197 -0.478 -1.826) 7.440 15.682 ( -7.936 -10.057 -0.299) 12.814 16.274 ( 2.724 3.747 -0.970) 4.733 16.318 ( 2.200 -1.212 -1.534) 2.943 16.536 ( -0.830 8.751 -3.635) 9.512 16.684 ( 2.622 -5.062 -2.776) 6.340 16.906 ( 0.583 4.800 1.209) 4.984 17.023 ( 1.201 -6.723 1.240) 6.941 17.362 ( 0.034 4.140 -0.287) 4.150 17.447 ( 0.539 -4.988 0.010) 5.017 17.736 ( 0.865 2.138 -1.517) 2.760 17.793 ( 1.057 -4.378 -0.450) 4.526 18.273 ( -1.633 2.840 3.781) 5.003 18.291 ( -2.289 0.767 2.559) 3.518 ======================= Grid point 156 (59/75) ======================= q-point: ( 0.33 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 8.988 -1.036 9.413) 13.056 1.958 ( 10.033 -1.734 13.149) 16.630 2.133 ( 14.349 8.762 9.676) 19.398 2.314 ( 11.877 -10.147 7.815) 17.467 2.546 ( 4.110 3.576 3.015) 6.227 2.576 ( 1.113 -0.223 -0.393) 1.202 2.698 ( -0.778 2.096 -4.537) 5.058 2.753 ( -0.613 -2.846 -3.943) 4.901 3.044 ( 1.114 7.741 -4.790) 9.171 3.130 ( -3.658 1.512 -0.278) 3.968 3.225 ( -4.273 0.401 3.243) 5.379 3.283 ( 0.446 -6.242 -4.302) 7.594 3.407 ( -5.483 6.070 -7.002) 10.767 3.519 ( -5.138 -5.064 -8.691) 11.295 3.713 ( -6.809 4.308 -1.902) 8.279 3.887 ( -5.259 -10.901 -2.603) 12.380 4.024 ( -1.907 4.388 2.307) 5.312 4.055 ( -2.640 2.300 3.331) 4.833 4.446 ( -2.381 6.962 -2.371) 7.731 4.544 ( -6.318 -4.595 0.225) 7.816 4.823 ( 4.658 -0.967 -0.759) 4.818 4.885 ( 4.492 -6.043 -1.891) 7.763 5.004 ( 2.576 3.365 1.873) 4.633 5.064 ( 4.744 -2.998 -1.137) 5.726 5.229 ( 0.998 5.374 2.627) 6.064 5.317 ( -1.269 -3.146 2.045) 3.961 5.577 ( -2.959 4.327 -1.110) 5.358 5.649 ( -4.328 -3.715 -2.535) 6.242 6.849 ( 3.245 3.516 0.046) 4.785 6.907 ( 5.044 -1.119 1.037) 5.270 7.048 ( 4.611 1.818 -1.131) 5.084 7.084 ( 3.568 -1.680 -1.602) 4.257 8.369 ( 15.046 2.120 -0.171) 15.196 8.439 ( 14.484 -4.837 3.041) 15.570 8.692 ( 16.718 2.637 5.100) 17.676 8.744 ( 13.020 -2.897 6.201) 14.710 8.956 ( 1.491 6.909 7.455) 10.273 9.068 ( 3.925 -4.521 7.648) 9.713 9.581 ( -4.361 3.608 11.372) 12.703 9.650 ( -1.882 -3.918 13.120) 13.821 9.703 ( 7.276 1.337 8.316) 11.130 9.730 ( 6.755 -0.988 6.563) 9.470 10.147 ( 0.875 3.136 6.053) 6.874 10.234 ( 1.233 -5.705 3.817) 6.974 10.590 ( 0.053 4.616 6.118) 7.664 10.662 ( 2.005 -2.035 3.783) 4.740 10.963 ( -9.562 8.627 4.064) 13.504 11.166 ( -7.482 -12.080 -1.390) 14.277 11.459 ( 1.728 3.215 -13.764) 14.239 11.513 ( 2.630 -2.944 -12.591) 13.195 11.899 ( 1.021 7.519 -4.609) 8.878 11.977 ( -5.471 -0.399 -5.784) 7.972 12.489 ( 2.258 5.403 5.131) 7.786 12.666 ( 4.398 -12.478 6.266) 14.639 12.935 ( -5.522 13.002 -3.477) 14.548 13.162 ( -7.375 -11.133 -6.184) 14.716 14.901 ( 5.688 12.200 -2.727) 13.734 15.051 ( 4.129 -1.539 -8.154) 9.269 15.445 ( -6.869 -4.002 -3.748) 8.789 15.534 ( -6.925 -11.354 -3.121) 13.661 16.303 ( 0.612 3.991 -1.414) 4.278 16.358 ( 1.634 -1.964 -0.895) 2.707 16.518 ( -0.901 11.562 -4.976) 12.619 16.720 ( 1.172 -8.699 -3.477) 9.442 16.923 ( 0.906 6.650 0.542) 6.733 17.054 ( 1.777 -6.568 0.923) 6.867 17.344 ( -1.766 4.058 -1.847) 4.795 17.418 ( -2.742 -3.889 -2.473) 5.362 17.769 ( 2.090 2.460 2.422) 4.036 17.841 ( 3.240 -5.274 2.774) 6.783 18.236 ( -2.210 2.849 4.298) 5.610 18.260 ( -0.732 0.357 5.069) 5.134 ======================= Grid point 157 (60/75) ======================= q-point: ( 0.44 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.221 0.417 10.665) 11.477 2.122 ( 5.253 -3.318 12.381) 13.852 2.394 ( 10.552 6.992 6.963) 14.447 2.524 ( 8.142 -6.083 6.140) 11.874 2.561 ( -3.082 3.618 2.509) 5.374 2.614 ( 2.182 -0.545 3.276) 3.974 2.670 ( -2.620 2.035 0.632) 3.377 2.726 ( -1.491 -1.372 2.818) 3.471 3.040 ( 0.958 6.804 -2.182) 7.209 3.084 ( 0.231 2.227 -2.851) 3.626 3.136 ( -5.331 3.372 -1.019) 6.390 3.207 ( -5.398 0.414 -6.460) 8.428 3.412 ( 2.081 -4.865 -6.111) 8.083 3.462 ( 1.214 -8.239 -8.579) 11.956 3.556 ( -6.198 4.155 -8.262) 11.133 3.725 ( -7.562 -12.416 -11.580) 18.586 4.056 ( 1.194 4.707 1.495) 5.081 4.114 ( 7.104 1.549 1.383) 7.401 4.331 ( -7.652 7.663 0.289) 10.833 4.466 ( -1.655 -4.477 0.598) 4.811 4.875 ( 1.085 3.030 -4.117) 5.225 4.957 ( 2.128 -5.455 -4.051) 7.120 5.033 ( 0.255 5.700 1.453) 5.888 5.119 ( 1.116 -2.161 -5.647) 6.148 5.300 ( 2.599 2.017 3.869) 5.079 5.360 ( 6.838 -2.011 1.854) 7.365 5.503 ( -4.853 0.854 1.904) 5.283 5.544 ( -4.961 -3.445 0.578) 6.067 6.896 ( 1.265 3.503 1.552) 4.035 6.975 ( 1.732 -4.182 2.497) 5.170 7.112 ( 1.708 2.669 -0.857) 3.283 7.133 ( 1.311 0.574 -0.977) 1.733 8.569 ( 4.884 0.600 -0.100) 4.921 8.634 ( 4.921 -6.269 1.365) 8.086 8.974 ( 2.679 7.351 7.154) 10.602 9.001 ( 9.106 5.047 7.802) 13.011 9.037 ( 15.150 0.855 8.821) 17.552 9.134 ( 3.613 -6.344 7.993) 10.825 9.392 ( -13.512 0.960 7.766) 15.615 9.437 ( -9.396 -3.378 10.157) 14.243 9.941 ( 10.534 -0.552 6.190) 12.230 9.945 ( 9.910 -1.152 8.182) 12.903 10.115 ( -3.965 1.719 5.017) 6.622 10.160 ( -7.347 -2.862 3.809) 8.757 10.602 ( 2.581 10.288 9.385) 14.163 10.734 ( -0.993 8.417 4.461) 9.578 10.819 ( 0.116 -5.430 6.857) 8.747 11.012 ( -7.330 -13.634 1.563) 15.558 11.487 ( 0.821 3.920 -12.155) 12.798 11.563 ( 1.804 -4.341 -9.583) 10.674 11.888 ( -2.770 3.525 -9.825) 10.799 11.907 ( -0.121 1.696 -9.984) 10.128 12.550 ( 2.868 9.387 3.340) 10.368 12.762 ( 4.328 -12.247 0.182) 12.991 12.842 ( -3.354 10.995 0.780) 11.521 13.032 ( -4.924 -9.026 -2.237) 10.523 15.029 ( 6.279 11.914 -3.969) 14.040 15.117 ( 1.033 8.654 -5.690) 10.408 15.328 ( -3.701 -11.790 -6.412) 13.922 15.417 ( -4.195 -14.966 -4.707) 16.240 16.308 ( 0.091 4.466 -1.888) 4.850 16.380 ( 0.536 -3.697 -0.265) 3.745 16.504 ( -0.400 13.859 -6.212) 15.193 16.735 ( 0.355 -10.408 -4.411) 11.310 16.936 ( 0.375 7.809 0.098) 7.818 17.086 ( 1.159 -7.720 0.544) 7.826 17.306 ( -1.514 4.266 -2.239) 5.050 17.372 ( -1.344 -2.640 -1.589) 3.362 17.803 ( 1.032 2.836 2.851) 4.151 17.895 ( 1.649 -6.536 3.888) 7.782 18.200 ( -1.082 4.570 5.231) 7.030 18.252 ( -0.131 -0.955 6.048) 6.125 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 0.000 11.731) 11.731 1.653 ( 0.000 0.000 4.833) 4.833 1.915 ( 0.000 0.000 -1.094) 1.094 1.930 ( 0.000 0.000 -1.733) 1.733 2.321 ( 0.000 0.000 -2.006) 2.006 2.381 ( 0.000 0.000 -8.350) 8.350 2.505 ( 0.000 0.000 5.818) 5.818 2.664 ( 0.000 0.000 -7.718) 7.718 3.027 ( 0.000 0.000 14.623) 14.623 3.162 ( 0.000 0.000 5.163) 5.163 3.209 ( 0.000 0.000 -4.698) 4.698 3.269 ( 0.000 0.000 -4.142) 4.142 3.531 ( 0.000 0.000 15.814) 15.814 3.806 ( 0.000 0.000 -11.902) 11.902 4.161 ( 0.000 0.000 6.270) 6.270 4.201 ( 0.000 0.000 4.078) 4.078 4.218 ( 0.000 0.000 5.565) 5.565 4.352 ( 0.000 0.000 -6.418) 6.418 4.512 ( 0.000 0.000 0.709) 0.709 4.603 ( 0.000 0.000 -6.371) 6.371 4.765 ( 0.000 0.000 7.181) 7.181 4.925 ( 0.000 0.000 -9.504) 9.504 5.014 ( 0.000 0.000 6.877) 6.877 5.104 ( 0.000 0.000 -3.037) 3.037 5.247 ( 0.000 0.000 8.356) 8.356 5.387 ( 0.000 0.000 -6.118) 6.118 5.432 ( 0.000 0.000 12.585) 12.585 5.670 ( 0.000 0.000 -11.217) 11.217 6.458 ( 0.000 0.000 9.429) 9.429 6.683 ( 0.000 0.000 -12.978) 12.978 6.758 ( 0.000 0.000 0.875) 0.875 6.799 ( 0.000 0.000 -2.879) 2.879 7.534 ( 0.000 0.000 5.803) 5.803 7.651 ( 0.000 0.000 -6.054) 6.054 8.190 ( 0.000 0.000 4.403) 4.403 8.264 ( 0.000 0.000 -2.750) 2.750 8.845 ( 0.000 0.000 2.713) 2.713 8.869 ( 0.000 0.000 0.392) 0.392 9.463 ( 0.000 0.000 21.193) 21.193 9.528 ( 0.000 0.000 11.102) 11.102 9.726 ( 0.000 0.000 -5.539) 5.539 9.887 ( 0.000 0.000 -18.629) 18.629 10.227 ( 0.000 0.000 24.294) 24.294 10.393 ( 0.000 0.000 16.147) 16.147 10.450 ( 0.000 0.000 13.001) 13.001 10.695 ( 0.000 0.000 -11.683) 11.683 10.891 ( 0.000 0.000 -17.301) 17.301 11.030 ( 0.000 0.000 -22.086) 22.086 11.599 ( 0.000 0.000 11.949) 11.949 11.674 ( 0.000 0.000 15.055) 15.055 11.835 ( 0.000 0.000 -12.096) 12.096 11.927 ( 0.000 0.000 -10.439) 10.439 12.491 ( 0.000 0.000 5.131) 5.131 12.605 ( 0.000 0.000 -6.598) 6.598 13.471 ( 0.000 0.000 9.293) 9.293 13.652 ( 0.000 0.000 -9.204) 9.204 14.534 ( 0.000 0.000 8.581) 8.581 14.700 ( 0.000 0.000 -8.402) 8.402 15.841 ( 0.000 0.000 1.792) 1.792 15.895 ( 0.000 0.000 -3.667) 3.667 16.296 ( 0.000 0.000 1.314) 1.314 16.326 ( 0.000 0.000 -1.739) 1.739 16.399 ( 0.000 0.000 0.620) 0.620 16.412 ( 0.000 0.000 -0.633) 0.633 16.963 ( 0.000 0.000 7.377) 7.377 17.127 ( 0.000 0.000 -9.235) 9.235 17.371 ( 0.000 0.000 7.730) 7.730 17.530 ( 0.000 0.000 -8.299) 8.299 17.729 ( 0.000 0.000 13.257) 13.257 17.981 ( 0.000 0.000 -12.305) 12.305 18.102 ( 0.000 0.000 5.092) 5.092 18.180 ( 0.000 0.000 -2.851) 2.851 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.11 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 8.858 0.000 10.836) 13.996 1.735 ( 7.800 0.000 4.248) 8.882 1.945 ( 3.763 0.000 2.229) 4.373 1.994 ( 6.097 0.000 -2.607) 6.631 2.379 ( 4.385 0.000 -4.195) 6.069 2.417 ( 3.073 0.000 -7.618) 8.215 2.549 ( 4.927 0.000 6.344) 8.032 2.703 ( 3.811 0.000 -5.947) 7.063 2.934 ( -6.158 0.000 10.269) 11.974 3.137 ( -5.494 0.000 -8.350) 9.995 3.218 ( 1.454 0.000 5.763) 5.944 3.303 ( 0.946 0.000 -1.992) 2.205 3.486 ( -2.788 0.000 13.920) 14.197 3.713 ( -6.861 0.000 -9.167) 11.450 4.094 ( -8.329 0.000 7.817) 11.423 4.151 ( -5.556 0.000 2.415) 6.058 4.213 ( -1.188 0.000 2.032) 2.353 4.259 ( -2.505 0.000 -3.445) 4.260 4.561 ( 1.615 0.000 2.967) 3.378 4.692 ( 2.231 0.000 -9.015) 9.287 4.761 ( 0.496 0.000 4.523) 4.550 4.848 ( -4.187 0.000 -3.940) 5.749 5.068 ( 5.168 0.000 4.324) 6.738 5.137 ( 2.841 0.000 -4.635) 5.437 5.226 ( -1.956 0.000 8.182) 8.412 5.362 ( -5.420 0.000 13.873) 14.895 5.371 ( -1.941 0.000 -6.196) 6.493 5.632 ( -2.800 0.000 -12.666) 12.971 6.556 ( 8.711 0.000 9.228) 12.690 6.756 ( 5.704 0.000 -8.689) 10.394 6.798 ( 4.376 0.000 -2.363) 4.973 6.813 ( 1.313 0.000 -1.515) 2.005 7.654 ( 12.204 0.000 5.114) 13.233 7.760 ( 11.014 0.000 -5.696) 12.400 8.321 ( 11.961 0.000 6.195) 13.470 8.427 ( 14.447 0.000 -4.149) 15.031 8.862 ( 1.721 0.000 2.605) 3.122 8.879 ( 1.062 0.000 1.039) 1.486 9.535 ( 6.639 0.000 19.202) 20.317 9.558 ( 2.973 0.000 9.098) 9.571 9.713 ( -0.611 0.000 -0.987) 1.161 9.947 ( 5.707 0.000 -17.546) 18.451 10.275 ( 3.817 0.000 20.080) 20.440 10.380 ( -4.898 0.000 16.795) 17.495 10.436 ( 2.744 0.000 10.360) 10.718 10.686 ( -0.708 0.000 -12.218) 12.238 10.946 ( 4.972 0.000 -15.594) 16.368 11.034 ( 0.422 0.000 -19.063) 19.068 11.532 ( -6.591 0.000 12.492) 14.124 11.633 ( -3.800 0.000 12.407) 12.976 11.798 ( -3.610 0.000 -11.833) 12.372 11.877 ( -4.279 0.000 -9.234) 10.177 12.523 ( 2.556 0.000 3.632) 4.441 12.605 ( -0.066 0.000 -4.869) 4.870 13.393 ( -7.239 0.000 9.829) 12.207 13.582 ( -6.687 0.000 -9.498) 11.616 14.552 ( 1.862 0.000 8.673) 8.870 14.724 ( 2.111 0.000 -8.833) 9.082 15.829 ( -1.069 0.000 1.712) 2.019 15.888 ( -0.732 0.000 -4.142) 4.206 16.223 ( -6.670 0.000 -0.150) 6.672 16.226 ( -5.429 0.000 -0.374) 5.442 16.463 ( 3.571 0.000 0.974) 3.701 16.484 ( 4.981 0.000 -1.184) 5.120 16.960 ( -0.113 0.000 6.474) 6.475 17.109 ( -1.536 0.000 -8.504) 8.642 17.373 ( -0.076 0.000 7.878) 7.878 17.534 ( -0.242 0.000 -8.309) 8.312 17.755 ( 2.597 0.000 11.801) 12.084 17.972 ( -0.347 0.000 -10.072) 10.078 18.115 ( 1.306 0.000 4.968) 5.137 18.191 ( 0.874 0.000 -2.898) 3.027 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.22 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 13.886 0.000 9.096) 16.600 1.928 ( 10.770 0.000 4.320) 11.604 2.081 ( 9.709 0.000 6.519) 11.695 2.151 ( 9.104 0.000 -3.128) 9.627 2.456 ( 3.487 0.000 -4.221) 5.475 2.481 ( 3.187 0.000 -6.149) 6.926 2.689 ( 7.681 0.000 4.830) 9.073 2.761 ( -1.383 0.000 10.110) 10.204 2.865 ( 1.614 0.000 -8.431) 8.584 3.015 ( -6.219 0.000 -11.571) 13.137 3.154 ( -5.522 0.000 5.975) 8.136 3.256 ( -5.455 0.000 -2.971) 6.212 3.484 ( 1.321 0.000 8.111) 8.218 3.612 ( -3.359 0.000 -5.480) 6.427 3.937 ( -6.338 0.000 7.638) 9.925 4.007 ( -5.720 0.000 -0.384) 5.733 4.140 ( -6.495 0.000 4.908) 8.141 4.209 ( -5.123 0.000 -0.903) 5.202 4.501 ( -6.883 0.000 0.052) 6.883 4.564 ( -10.897 0.000 -7.159) 13.039 4.816 ( 4.306 0.000 0.674) 4.358 4.858 ( 1.671 0.000 -3.449) 3.832 5.149 ( -3.849 0.000 4.323) 5.788 5.203 ( 5.623 0.000 3.538) 6.644 5.214 ( 3.828 0.000 -3.729) 5.344 5.306 ( 1.169 0.000 16.306) 16.348 5.311 ( -2.920 0.000 -5.550) 6.271 5.595 ( -0.796 0.000 -12.868) 12.893 6.752 ( 10.090 0.000 8.208) 13.007 6.851 ( 2.626 0.000 0.296) 2.642 6.851 ( 4.266 0.000 -0.737) 4.330 6.928 ( 7.085 0.000 -8.376) 10.971 7.997 ( 21.154 0.000 3.644) 21.466 8.071 ( 19.348 0.000 -3.917) 19.741 8.593 ( 13.673 0.000 8.418) 16.056 8.731 ( 13.403 0.000 -4.939) 14.284 8.914 ( 3.611 0.000 2.294) 4.278 8.919 ( 3.603 0.000 1.740) 4.001 9.642 ( 5.441 0.000 4.382) 6.986 9.645 ( 1.928 0.000 5.441) 5.773 9.780 ( 9.610 0.000 15.959) 18.629 10.084 ( 6.756 0.000 -12.421) 14.139 10.243 ( -7.806 0.000 12.189) 14.475 10.314 ( -1.348 0.000 8.688) 8.792 10.527 ( 5.389 0.000 9.330) 10.775 10.681 ( -0.089 0.000 -8.016) 8.016 11.052 ( 1.819 0.000 -11.623) 11.764 11.061 ( 5.974 0.000 -12.929) 14.243 11.365 ( -8.903 0.000 12.942) 15.709 11.548 ( -3.997 0.000 2.310) 4.617 11.706 ( -5.038 0.000 -7.344) 8.906 11.789 ( -4.110 0.000 -7.182) 8.275 12.564 ( 1.149 0.000 1.789) 2.126 12.597 ( -0.883 0.000 -1.696) 1.912 13.225 ( -8.622 0.000 9.505) 12.833 13.412 ( -9.648 0.000 -9.531) 13.562 14.609 ( 3.826 0.000 8.093) 8.952 14.774 ( 2.743 0.000 -8.807) 9.224 15.803 ( -1.515 0.000 1.165) 1.912 15.865 ( -1.605 0.000 -5.011) 5.262 16.095 ( -5.899 0.000 -0.042) 5.899 16.111 ( -5.771 0.000 -1.600) 5.989 16.530 ( 2.959 0.000 2.116) 3.637 16.569 ( 3.360 0.000 -1.807) 3.815 16.965 ( 0.698 0.000 4.660) 4.712 17.081 ( -1.118 0.000 -6.887) 6.977 17.359 ( -1.310 0.000 6.827) 6.951 17.499 ( -3.338 0.000 -7.320) 8.045 17.823 ( 3.909 0.000 9.167) 9.965 17.982 ( 1.149 0.000 -6.669) 6.767 18.151 ( 2.224 0.000 4.313) 4.853 18.207 ( 0.806 0.000 -1.625) 1.814 ======================= Grid point 183 (64/75) ======================= q-point: ( 0.33 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 9.697 0.000 7.166) 12.058 2.185 ( 14.320 0.000 8.179) 16.492 2.296 ( 10.884 0.000 5.754) 12.312 2.317 ( 6.503 0.000 -3.734) 7.499 2.518 ( 2.282 0.000 -2.215) 3.180 2.537 ( 1.617 0.000 -3.131) 3.524 2.705 ( -1.254 0.000 6.996) 7.107 2.791 ( 2.100 0.000 1.173) 2.406 2.882 ( -1.225 0.000 -1.377) 1.843 2.923 ( -2.797 0.000 -9.995) 10.379 3.118 ( 0.895 0.000 -1.012) 1.351 3.152 ( -3.595 0.000 -2.870) 4.600 3.486 ( 0.186 0.000 2.501) 2.508 3.534 ( -4.450 0.000 -2.287) 5.004 3.877 ( -0.009 0.000 5.567) 5.567 3.963 ( 0.587 0.000 -2.499) 2.567 3.965 ( -10.404 0.000 5.779) 11.901 4.057 ( -9.166 0.000 -2.073) 9.398 4.337 ( -11.191 0.000 -5.489) 12.465 4.344 ( -7.894 0.000 -3.410) 8.599 4.877 ( 0.448 0.000 -0.418) 0.612 4.889 ( 2.310 0.000 -0.944) 2.495 5.067 ( -2.940 0.000 4.314) 5.221 5.181 ( -4.590 0.000 -6.265) 7.766 5.301 ( 4.189 0.000 6.451) 7.692 5.352 ( 4.233 0.000 -0.749) 4.299 5.396 ( 6.191 0.000 6.961) 9.315 5.586 ( -0.507 0.000 -9.723) 9.737 6.898 ( 3.419 0.000 3.460) 4.865 6.926 ( 2.977 0.000 -0.722) 3.063 6.946 ( 7.431 0.000 3.308) 8.134 7.045 ( 4.474 0.000 -5.212) 6.869 8.432 ( 21.010 0.000 2.201) 21.125 8.469 ( 18.973 0.000 -1.537) 19.035 8.814 ( 8.294 0.000 6.869) 10.769 8.880 ( 3.128 0.000 1.296) 3.386 9.009 ( 5.740 0.000 2.409) 6.225 9.045 ( 7.047 0.000 -1.747) 7.261 9.669 ( 1.237 0.000 8.261) 8.353 9.772 ( 7.508 0.000 -1.376) 7.633 10.006 ( 11.159 0.000 13.159) 17.254 10.027 ( -10.074 0.000 11.845) 15.549 10.225 ( -6.206 0.000 -2.039) 6.533 10.237 ( 4.522 0.000 -5.696) 7.272 10.591 ( -0.583 0.000 3.963) 4.005 10.630 ( -5.669 0.000 1.463) 5.855 11.117 ( 4.225 0.000 -6.164) 7.473 11.153 ( 2.550 0.000 -2.176) 3.352 11.256 ( -0.359 0.000 4.269) 4.284 11.483 ( -3.330 0.000 -11.500) 11.972 11.635 ( -0.987 0.000 2.280) 2.484 11.726 ( -2.096 0.000 -5.321) 5.719 12.565 ( -0.770 0.000 1.145) 1.380 12.571 ( -1.572 0.000 0.500) 1.649 13.084 ( -5.121 0.000 6.230) 8.065 13.226 ( -8.639 0.000 -8.020) 11.788 14.700 ( 5.160 0.000 5.806) 7.768 14.824 ( 2.076 0.000 -6.817) 7.126 15.773 ( -1.413 0.000 -0.366) 1.460 15.823 ( -2.584 0.000 -5.373) 5.962 15.999 ( -3.627 0.000 -0.553) 3.669 16.011 ( -3.975 0.000 -1.768) 4.351 16.578 ( 1.952 0.000 2.196) 2.938 16.615 ( 1.282 0.000 -1.429) 1.920 16.988 ( 1.513 0.000 2.546) 2.962 17.064 ( -0.631 0.000 -5.029) 5.068 17.331 ( -1.220 0.000 4.237) 4.409 17.418 ( -4.259 0.000 -4.609) 6.275 17.896 ( 3.232 0.000 6.371) 7.144 17.999 ( 0.243 0.000 -4.005) 4.012 18.198 ( 2.291 0.000 3.305) 4.021 18.225 ( 0.988 0.000 0.417) 1.072 ======================= Grid point 184 (65/75) ======================= q-point: ( 0.44 0.00 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 5.742 0.000 6.755) 8.866 2.361 ( -0.347 0.000 4.864) 4.877 2.437 ( 7.714 0.000 -0.143) 7.716 2.468 ( 4.715 0.000 2.897) 5.534 2.527 ( -0.684 0.000 -0.553) 0.880 2.535 ( -0.160 0.000 -1.072) 1.084 2.762 ( 4.970 0.000 3.936) 6.340 2.817 ( 0.577 0.000 0.052) 0.580 2.868 ( -2.203 0.000 -3.146) 3.840 2.869 ( -0.236 0.000 -0.930) 0.960 3.082 ( -2.994 0.000 1.522) 3.359 3.097 ( -3.202 0.000 -0.929) 3.334 3.507 ( 3.279 0.000 0.961) 3.417 3.560 ( 4.256 0.000 -3.257) 5.359 3.759 ( -5.738 0.000 0.206) 5.741 3.862 ( -10.021 0.000 -7.030) 12.241 3.919 ( 2.512 0.000 0.844) 2.650 3.971 ( -1.751 0.000 -5.279) 5.562 4.182 ( -2.542 0.000 0.556) 2.602 4.217 ( -4.602 0.000 -2.062) 5.042 4.882 ( 0.260 0.000 2.342) 2.357 4.896 ( -0.977 0.000 2.295) 2.494 5.054 ( 1.283 0.000 -1.965) 2.347 5.100 ( -3.250 0.000 -5.192) 6.126 5.377 ( 3.050 0.000 4.909) 5.780 5.404 ( 0.627 0.000 1.667) 1.781 5.503 ( 4.261 0.000 0.732) 4.324 5.564 ( -1.939 0.000 -4.645) 5.033 6.948 ( 1.740 0.000 1.334) 2.192 6.961 ( 0.534 0.000 -0.120) 0.547 7.064 ( 3.969 0.000 1.752) 4.339 7.097 ( 0.583 0.000 -1.408) 1.524 8.741 ( 6.986 0.000 1.141) 7.078 8.744 ( 7.787 0.000 0.381) 7.796 8.939 ( 3.879 0.000 4.233) 5.741 8.947 ( 4.838 0.000 2.840) 5.610 9.106 ( 3.183 0.000 1.733) 3.624 9.129 ( 1.178 0.000 -0.432) 1.254 9.699 ( 2.418 0.000 12.902) 13.126 9.810 ( -8.450 0.000 10.046) 13.127 9.946 ( 7.372 0.000 -3.946) 8.361 10.078 ( -5.175 0.000 -9.042) 10.418 10.217 ( 6.161 0.000 7.185) 9.464 10.283 ( -0.261 0.000 0.691) 0.739 10.507 ( -4.383 0.000 7.288) 8.505 10.517 ( -4.532 0.000 4.895) 6.671 11.184 ( 2.030 0.000 -3.614) 4.145 11.191 ( 1.303 0.000 1.061) 1.681 11.306 ( 4.016 0.000 -3.814) 5.538 11.398 ( -4.864 0.000 -8.164) 9.503 11.664 ( 2.513 0.000 0.014) 2.513 11.699 ( -1.085 0.000 -3.321) 3.494 12.547 ( -0.602 0.000 1.375) 1.501 12.548 ( -0.649 0.000 1.232) 1.392 13.032 ( 0.039 0.000 0.851) 0.852 13.085 ( -5.171 0.000 -4.467) 6.833 14.796 ( 4.003 0.000 1.879) 4.422 14.843 ( -0.538 0.000 -2.839) 2.889 15.754 ( -0.200 0.000 -2.685) 2.693 15.773 ( -2.072 0.000 -4.572) 5.020 15.954 ( -0.941 0.000 -0.996) 1.370 15.959 ( -1.375 0.000 -1.435) 1.987 16.608 ( 1.134 0.000 1.210) 1.658 16.623 ( -0.280 0.000 -0.255) 0.379 17.021 ( 1.683 0.000 -0.044) 1.683 17.049 ( -1.062 0.000 -2.802) 2.996 17.320 ( 0.254 0.000 1.401) 1.424 17.347 ( -2.584 0.000 -1.425) 2.950 17.950 ( 2.299 0.000 2.960) 3.748 17.987 ( -1.353 0.000 -0.747) 1.546 18.233 ( 1.156 0.000 2.472) 2.729 18.241 ( 0.371 0.000 1.705) 1.745 ======================= Grid point 189 (66/75) ======================= q-point: ( 0.00 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 6.352 11.004) 12.705 1.682 ( 0.000 2.157 4.952) 5.401 1.842 ( 0.000 -5.289 1.624) 5.533 1.956 ( 0.000 3.957 -6.253) 7.400 2.333 ( 0.000 -11.658 12.856) 17.355 2.458 ( 0.000 9.335 -2.333) 9.622 2.491 ( 0.000 4.444 -5.427) 7.014 2.608 ( 0.000 -1.841 -13.222) 13.350 3.003 ( 0.000 -5.614 3.294) 6.509 3.011 ( 0.000 -1.013 3.313) 3.465 3.368 ( 0.000 6.169 4.470) 7.619 3.381 ( 0.000 6.424 0.588) 6.450 3.565 ( 0.000 3.493 10.704) 11.260 3.768 ( 0.000 -3.699 -8.137) 8.939 4.118 ( 0.000 -1.101 5.141) 5.258 4.185 ( 0.000 0.538 1.444) 1.541 4.253 ( 0.000 1.930 6.151) 6.447 4.372 ( 0.000 0.671 -5.446) 5.487 4.511 ( 0.000 -0.895 -0.508) 1.029 4.596 ( 0.000 -1.505 -6.982) 7.143 4.733 ( 0.000 -2.647 8.739) 9.131 4.830 ( 0.000 -6.636 3.133) 7.338 5.078 ( 0.000 2.875 -3.910) 4.853 5.084 ( 0.000 -0.905 -1.027) 1.369 5.192 ( 0.000 -2.565 5.894) 6.428 5.340 ( 0.000 -2.698 -8.931) 9.330 5.592 ( 0.000 12.658 11.842) 17.334 5.774 ( 0.000 8.458 -5.457) 10.066 6.474 ( 0.000 1.953 5.855) 6.172 6.646 ( 0.000 -3.276 -9.303) 9.863 6.731 ( 0.000 -3.003 0.342) 3.022 6.777 ( 0.000 -2.956 -5.132) 5.922 7.565 ( 0.000 3.647 4.824) 6.047 7.663 ( 0.000 1.615 -5.089) 5.339 8.120 ( 0.000 -6.820 2.616) 7.304 8.165 ( 0.000 -9.219 -1.839) 9.400 8.908 ( 0.000 5.365 2.692) 6.002 8.922 ( 0.000 4.699 1.224) 4.856 9.484 ( 0.000 1.969 19.997) 20.093 9.538 ( 0.000 0.800 10.844) 10.873 9.757 ( 0.000 3.506 -3.896) 5.241 9.931 ( 0.000 4.609 -18.026) 18.606 10.182 ( 0.000 -4.576 20.374) 20.881 10.377 ( 0.000 -2.029 13.014) 13.172 10.447 ( 0.000 -0.137 15.561) 15.562 10.604 ( 0.000 -7.652 -7.682) 10.843 10.942 ( 0.000 3.772 -18.331) 18.715 11.028 ( 0.000 -0.153 -21.953) 21.954 11.482 ( 0.000 -5.078 8.500) 9.901 11.645 ( 0.000 -10.444 -8.121) 13.230 11.889 ( 0.000 15.330 16.176) 22.286 12.154 ( 0.000 14.114 -10.803) 17.774 12.489 ( 0.000 -0.331 4.252) 4.265 12.579 ( 0.000 -3.207 -4.677) 5.671 13.340 ( 0.000 -11.226 9.858) 14.940 13.535 ( 0.000 -11.199 -9.988) 15.006 14.644 ( 0.000 9.563 5.385) 10.975 14.766 ( 0.000 5.606 -6.861) 8.860 15.848 ( 0.000 1.291 2.887) 3.162 15.919 ( 0.000 2.709 -4.091) 4.907 16.220 ( 0.000 -7.026 3.290) 7.759 16.279 ( 0.000 -4.968 -2.575) 5.596 16.452 ( 0.000 4.510 -0.613) 4.552 16.453 ( 0.000 3.921 -0.678) 3.979 16.961 ( 0.000 -0.323 5.954) 5.963 17.087 ( 0.000 -4.038 -6.301) 7.484 17.387 ( 0.000 1.594 6.491) 6.684 17.537 ( 0.000 0.607 -8.002) 8.025 17.635 ( 0.000 -7.373 10.552) 12.873 17.825 ( 0.000 -9.997 -7.884) 12.732 18.239 ( 0.000 8.127 0.527) 8.144 18.260 ( 0.000 6.323 -0.987) 6.399 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.11 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 7.902 5.148 10.521) 14.129 1.764 ( 7.710 2.359 4.536) 9.251 1.867 ( 3.698 -4.179 2.264) 6.022 2.049 ( 7.711 3.441 -4.946) 9.786 2.386 ( 5.052 -13.261 9.937) 17.324 2.412 ( -0.992 7.009 -3.025) 7.698 2.561 ( 3.692 3.956 -4.868) 7.278 2.672 ( 5.370 0.652 -9.999) 11.369 2.948 ( -3.699 0.334 4.015) 5.469 3.029 ( -0.579 -7.074 0.719) 7.134 3.260 ( -4.535 9.334 -0.760) 10.406 3.467 ( 3.044 2.953 4.644) 6.289 3.506 ( -5.607 4.328 8.112) 10.770 3.681 ( -7.130 -2.901 -7.258) 10.580 4.018 ( -7.697 -4.755 2.649) 9.427 4.155 ( -4.428 2.234 6.067) 7.836 4.267 ( 2.030 3.138 1.478) 4.019 4.313 ( -5.190 3.621 -3.093) 7.044 4.498 ( -3.854 -3.708 1.389) 5.525 4.690 ( 3.499 -1.259 -2.148) 4.295 4.748 ( 5.065 -2.835 0.648) 5.841 4.834 ( -1.587 -2.007 -1.189) 2.821 4.934 ( -3.293 -5.752 1.047) 6.710 5.140 ( -2.552 -6.526 5.286) 8.778 5.237 ( 6.170 3.795 -1.083) 7.324 5.355 ( 0.081 0.901 -5.212) 5.290 5.514 ( -6.441 11.653 9.369) 16.280 5.709 ( -5.077 6.208 -7.517) 10.992 6.574 ( 8.764 1.978 6.513) 11.096 6.693 ( 2.522 -3.873 -2.202) 5.119 6.770 ( 6.379 -2.091 -8.126) 10.540 6.839 ( 4.310 -0.739 -1.434) 4.601 7.677 ( 11.315 2.681 3.093) 12.032 7.787 ( 12.295 2.954 -3.404) 13.095 8.219 ( 10.680 -9.152 2.226) 14.240 8.345 ( 14.508 -7.669 -0.993) 16.440 8.918 ( 0.757 4.886 2.004) 5.335 8.949 ( 2.952 5.562 2.280) 6.697 9.543 ( 5.513 1.084 17.208) 18.102 9.574 ( 3.684 1.201 9.651) 10.400 9.742 ( -0.845 3.415 -0.307) 3.531 9.993 ( 5.691 4.420 -15.875) 17.433 10.207 ( 1.007 -5.710 14.750) 15.848 10.394 ( -0.864 0.069 18.926) 18.946 10.428 ( 1.864 -0.457 10.195) 10.374 10.614 ( 0.697 -6.771 -8.846) 11.162 10.976 ( 3.291 2.494 -17.121) 17.612 11.037 ( 0.988 0.317 -19.029) 19.057 11.417 ( -6.270 -5.037 7.191) 10.789 11.609 ( -3.367 -10.366 -6.133) 12.506 11.850 ( -3.694 15.274 14.044) 21.076 12.090 ( -5.843 13.122 -9.689) 17.326 12.482 ( 0.172 -3.462 0.636) 3.525 12.638 ( 4.227 2.189 -1.530) 5.000 13.272 ( -6.357 -10.730 10.263) 16.152 13.475 ( -5.792 -10.472 -10.143) 15.688 14.646 ( 0.556 8.553 5.714) 10.302 14.777 ( 1.146 4.676 -7.330) 8.769 15.745 ( -6.245 -3.368 -0.162) 7.097 16.000 ( 2.576 4.218 -0.951) 5.033 16.098 ( -6.554 -5.621 0.013) 8.634 16.284 ( -1.711 0.409 -0.699) 1.893 16.450 ( 0.455 1.056 -0.032) 1.150 16.541 ( 6.263 3.749 -0.767) 7.340 16.949 ( -1.072 -1.045 4.767) 4.996 17.081 ( -0.387 -2.874 -5.462) 6.184 17.382 ( -0.597 0.966 6.408) 6.508 17.529 ( -1.445 -1.017 -6.654) 6.885 17.677 ( 4.286 -5.678 7.955) 10.672 17.836 ( 1.169 -9.088 -6.266) 11.100 18.236 ( -0.003 7.524 1.269) 7.631 18.263 ( 0.047 5.775 -1.031) 5.866 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.22 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 12.513 2.917 9.693) 16.095 1.954 ( 10.869 2.584 4.743) 12.137 2.004 ( 9.942 -3.773 5.075) 11.783 2.217 ( 8.476 2.854 -5.455) 10.476 2.437 ( 3.722 3.649 -1.228) 5.355 2.520 ( 7.412 -11.489 6.459) 15.121 2.620 ( 2.080 5.842 -3.592) 7.166 2.770 ( 3.206 -5.773 -7.196) 9.767 2.851 ( -5.054 1.880 5.819) 7.934 3.006 ( -0.790 1.320 -7.871) 8.020 3.206 ( -2.033 8.082 -2.211) 8.622 3.354 ( -9.235 4.841 2.461) 10.713 3.473 ( -2.191 -1.228 4.751) 5.374 3.568 ( -3.540 -4.468 -4.354) 7.173 3.887 ( -4.789 -4.779 3.047) 7.420 4.049 ( -4.398 4.265 5.899) 8.505 4.176 ( -9.627 4.032 0.866) 10.473 4.283 ( -4.768 3.041 -0.166) 5.658 4.292 ( -10.143 -7.061 -2.981) 12.713 4.728 ( -5.794 6.546 -1.150) 8.817 4.756 ( 2.017 -5.292 -1.437) 5.842 4.880 ( 2.957 1.674 -2.111) 4.000 4.966 ( 7.150 -12.021 -0.554) 13.998 5.138 ( 0.592 -6.815 5.579) 8.827 5.277 ( -3.304 3.714 7.038) 8.616 5.350 ( 0.272 2.740 -2.220) 3.537 5.423 ( 0.009 9.616 1.363) 9.712 5.628 ( -2.661 2.402 -8.818) 9.518 6.754 ( 4.229 -3.383 -0.497) 5.439 6.770 ( 9.744 1.608 6.474) 11.808 6.921 ( 6.494 -0.068 -6.221) 8.993 6.927 ( 5.315 1.029 -1.476) 5.611 7.989 ( 18.886 0.439 0.810) 18.909 8.128 ( 21.125 4.603 -0.474) 21.626 8.484 ( 14.316 -9.709 3.172) 17.587 8.642 ( 13.716 -6.349 -0.435) 15.121 8.935 ( 0.845 4.670 2.553) 5.389 9.043 ( 6.432 5.793 2.085) 8.903 9.657 ( 5.873 1.329 6.393) 8.782 9.667 ( 2.615 2.420 3.910) 5.290 9.777 ( 6.885 0.209 13.107) 14.807 10.113 ( 2.741 -3.111 -4.399) 6.045 10.156 ( -3.689 -0.069 3.546) 5.117 10.361 ( -2.518 1.614 10.204) 10.633 10.528 ( 6.380 -0.109 9.909) 11.786 10.643 ( 2.732 -3.754 -6.075) 7.646 11.047 ( 2.495 0.691 -12.209) 12.480 11.083 ( 4.287 1.353 -13.113) 13.862 11.261 ( -8.095 -5.106 4.046) 10.391 11.531 ( -3.842 -10.749 -3.481) 11.934 11.756 ( -5.397 15.194 7.892) 17.952 11.954 ( -7.159 9.778 -7.468) 14.235 12.494 ( 0.735 -2.866 0.287) 2.973 12.704 ( 1.820 6.945 -0.601) 7.205 13.120 ( -7.953 -10.319 9.626) 16.198 13.330 ( -8.038 -8.196 -9.419) 14.850 14.678 ( 2.757 6.662 5.820) 9.266 14.811 ( 2.241 3.374 -7.759) 8.753 15.630 ( -5.235 -8.103 -1.331) 9.738 15.893 ( -8.420 -11.245 -0.296) 14.051 16.099 ( 1.915 12.404 -1.573) 12.649 16.234 ( -2.783 5.018 -1.228) 5.868 16.461 ( 0.684 -2.760 0.297) 2.859 16.657 ( 5.008 4.522 -0.397) 6.759 16.924 ( -1.386 -3.101 2.201) 4.047 17.081 ( 0.586 -0.746 -3.444) 3.573 17.360 ( -1.689 0.313 5.512) 5.774 17.478 ( -3.383 -2.188 -5.944) 7.181 17.773 ( 4.173 -3.762 5.700) 8.004 17.881 ( 3.841 -7.328 -3.428) 8.955 18.237 ( -0.552 5.995 1.412) 6.183 18.265 ( 0.755 4.585 0.249) 4.654 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.33 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 8.953 0.009 8.466) 12.322 2.212 ( 12.795 2.732 6.960) 14.819 2.229 ( 11.789 -2.509 5.988) 13.458 2.373 ( 7.473 2.692 -6.637) 10.351 2.533 ( 4.407 3.916 1.142) 6.006 2.637 ( 0.519 2.933 0.318) 2.996 2.646 ( 4.184 -4.346 4.359) 7.443 2.742 ( -1.152 -5.193 -0.349) 5.330 2.863 ( 2.726 1.818 -1.764) 3.722 2.971 ( -3.429 4.878 -10.903) 12.427 3.157 ( -3.583 3.473 0.138) 4.992 3.196 ( -4.822 2.953 -2.887) 6.349 3.426 ( -1.596 -5.014 1.597) 5.499 3.491 ( -4.262 -4.352 -1.286) 6.225 3.796 ( -8.273 -8.402 3.170) 12.210 3.972 ( -10.022 -0.826 -3.253) 10.569 3.983 ( -2.801 3.444 3.524) 5.668 4.073 ( -3.023 -6.430 -2.129) 7.418 4.226 ( -4.289 10.495 -0.970) 11.379 4.573 ( -9.269 7.800 -0.836) 12.143 4.789 ( 0.846 -4.421 -2.808) 5.305 4.924 ( 2.462 -0.163 -0.781) 2.588 5.076 ( -0.783 -0.961 2.144) 2.477 5.120 ( -0.862 -5.418 -0.747) 5.536 5.251 ( 3.573 -0.845 3.312) 4.945 5.353 ( 1.367 1.144 3.695) 4.102 5.486 ( 3.579 5.034 1.058) 6.267 5.589 ( -1.747 0.100 -7.315) 7.521 6.836 ( 3.816 -2.146 0.377) 4.395 6.947 ( 7.462 1.232 4.514) 8.808 7.004 ( 3.536 2.709 -0.151) 4.457 7.043 ( 4.356 -0.152 -4.489) 6.257 8.363 ( 17.126 -2.553 -0.093) 17.316 8.568 ( 21.316 4.226 1.849) 21.809 8.745 ( 11.812 -7.484 2.708) 14.243 8.865 ( 9.157 -1.392 0.989) 9.314 8.949 ( 0.525 4.558 3.140) 5.559 9.180 ( 6.294 4.392 1.910) 7.909 9.676 ( -0.402 0.991 6.448) 6.536 9.783 ( 5.751 0.812 -0.873) 5.873 9.949 ( -2.274 -4.947 10.587) 11.905 9.979 ( 2.600 -4.349 9.738) 10.977 10.197 ( -0.695 0.372 -0.154) 0.803 10.280 ( -3.782 0.298 -4.546) 5.921 10.625 ( 2.216 2.998 4.121) 5.557 10.692 ( 0.202 6.080 4.698) 7.686 11.056 ( -0.252 -4.070 3.297) 5.244 11.164 ( 2.939 0.334 -9.120) 9.587 11.188 ( 1.189 -3.533 -5.848) 6.935 11.484 ( -0.281 -9.372 -3.731) 10.091 11.657 ( -4.101 11.752 -0.856) 12.476 11.824 ( -5.683 5.485 -3.559) 8.663 12.504 ( 0.356 -0.637 1.117) 1.334 12.704 ( -1.328 8.763 0.097) 8.864 12.995 ( -4.260 -9.128 5.449) 11.452 13.180 ( -6.718 -4.880 -6.535) 10.567 14.755 ( 4.735 5.472 4.270) 8.402 14.862 ( 2.596 3.733 -6.359) 7.818 15.538 ( -3.972 -12.193 -2.374) 13.042 15.738 ( -6.835 -13.674 -1.301) 15.343 16.119 ( 0.299 15.214 -1.911) 15.336 16.183 ( -2.184 8.124 -1.511) 8.547 16.475 ( 0.682 -5.332 0.434) 5.393 16.733 ( 2.632 5.982 0.045) 6.535 16.898 ( -1.098 -5.904 -0.188) 6.009 17.106 ( 1.882 1.169 -1.726) 2.809 17.314 ( -2.993 -0.979 2.469) 4.001 17.412 ( -2.767 -0.879 -3.071) 4.226 17.826 ( 1.553 -3.970 2.468) 4.926 17.981 ( 5.465 -4.700 0.190) 7.211 18.207 ( -2.169 4.316 1.163) 4.968 18.294 ( 1.685 3.546 1.832) 4.332 ======================= Grid point 193 (70/75) ======================= q-point: ( 0.44 0.20 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 3.314 -0.716 6.920) 7.706 2.399 ( 6.045 -1.382 3.347) 7.047 2.416 ( 6.185 3.368 6.072) 9.299 2.512 ( 2.168 2.639 -1.136) 3.599 2.538 ( -1.020 5.079 0.744) 5.234 2.670 ( 3.490 8.009 0.313) 8.742 2.740 ( 4.558 -2.469 4.042) 6.573 2.759 ( 1.204 -4.503 1.423) 4.874 2.885 ( -0.656 1.557 -3.151) 3.576 2.896 ( -2.823 3.318 -5.204) 6.787 3.097 ( -3.629 1.337 0.678) 3.927 3.109 ( -2.550 1.058 -0.718) 2.852 3.437 ( 1.291 -6.105 -1.484) 6.414 3.475 ( 4.857 -7.835 -3.718) 9.940 3.581 ( -9.273 -10.495 0.296) 14.008 3.728 ( -11.064 -12.045 -9.843) 19.088 4.058 ( 5.745 8.863 3.468) 11.117 4.089 ( 2.009 -0.735 1.412) 2.563 4.145 ( -3.336 10.865 -1.525) 11.468 4.388 ( -7.696 9.498 -2.180) 12.417 4.795 ( 0.022 -3.132 -1.553) 3.496 4.975 ( 2.592 0.273 -0.098) 2.609 5.029 ( -2.741 0.808 1.422) 3.192 5.079 ( -1.667 -3.118 -2.588) 4.382 5.369 ( 3.642 -2.587 2.127) 4.948 5.394 ( 4.252 1.009 2.341) 4.958 5.497 ( -3.289 0.053 -1.748) 3.725 5.573 ( 0.580 0.187 -1.061) 1.224 6.892 ( 1.569 -1.157 0.670) 2.061 7.045 ( 1.863 3.913 1.021) 4.453 7.067 ( 2.988 0.238 0.878) 3.123 7.093 ( 0.618 -0.428 -1.348) 1.543 8.606 ( 6.403 -5.167 -0.120) 8.229 8.850 ( 6.165 -8.381 3.075) 10.849 8.929 ( 0.864 5.111 2.393) 5.709 9.015 ( 5.952 4.588 1.870) 7.744 9.022 ( 10.164 7.970 1.782) 13.038 9.258 ( 1.421 3.612 1.866) 4.307 9.638 ( -4.782 -6.420 10.211) 12.976 9.738 ( -4.119 -6.411 7.927) 10.995 9.955 ( 6.009 0.929 -2.277) 6.493 10.074 ( -3.598 0.026 -5.871) 6.886 10.157 ( 2.849 -5.012 4.846) 7.531 10.242 ( -1.594 -3.009 0.496) 3.441 10.626 ( -0.874 9.414 7.420) 12.018 10.642 ( -2.952 11.925 6.217) 13.769 11.105 ( 3.489 -6.262 5.165) 8.835 11.184 ( -0.871 -5.523 -5.582) 7.901 11.222 ( 1.408 -0.034 -4.112) 4.346 11.513 ( 2.081 1.987 -6.837) 7.418 11.594 ( -2.289 -0.463 -3.440) 4.158 11.743 ( -2.163 1.639 -3.442) 4.383 12.510 ( 0.209 1.400 1.528) 2.083 12.681 ( -0.612 8.761 1.029) 8.843 12.945 ( -1.059 -7.750 -0.196) 7.825 13.079 ( -2.991 -2.103 -2.479) 4.417 14.845 ( 3.562 5.070 0.735) 6.239 14.896 ( 0.438 5.736 -2.501) 6.273 15.479 ( -1.713 -15.269 -3.244) 15.703 15.637 ( -2.868 -15.392 -2.110) 15.799 16.120 ( -0.018 16.128 -2.447) 16.312 16.152 ( -0.865 9.394 -1.226) 9.513 16.485 ( 0.243 -6.271 0.389) 6.287 16.765 ( 0.700 7.408 0.429) 7.454 16.883 ( -0.366 -8.256 -1.662) 8.430 17.150 ( 2.212 4.188 -1.039) 4.849 17.250 ( -2.861 -4.174 0.252) 5.067 17.377 ( -0.834 0.588 -0.412) 1.101 17.845 ( 0.465 -4.002 1.008) 4.153 18.078 ( 4.090 -3.915 1.517) 5.862 18.156 ( -2.884 4.171 1.562) 5.306 18.320 ( 0.738 2.741 2.190) 3.585 ======================= Grid point 198 (71/75) ======================= q-point: ( 0.00 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 1.102 3.606) 3.770 1.730 ( 0.000 -0.153 1.154) 1.164 1.833 ( 0.000 8.373 15.156) 17.315 2.035 ( 0.000 -7.148 9.121) 11.588 2.129 ( 0.000 3.300 -5.048) 6.031 2.330 ( 0.000 -12.976 -11.005) 17.015 2.690 ( 0.000 12.496 -0.078) 12.496 2.759 ( 0.000 8.265 -6.839) 10.728 2.933 ( 0.000 -3.467 3.627) 5.017 2.967 ( 0.000 -4.384 0.100) 4.386 3.425 ( 0.000 0.449 -0.001) 0.449 3.432 ( 0.000 0.906 1.140) 1.456 3.615 ( 0.000 2.115 6.556) 6.889 3.685 ( 0.000 -4.959 0.665) 5.004 4.193 ( 0.000 8.509 5.267) 10.008 4.250 ( 0.000 4.442 1.552) 4.705 4.283 ( 0.000 1.468 2.873) 3.227 4.349 ( 0.000 -3.795 -2.600) 4.600 4.457 ( 0.000 -3.121 -3.057) 4.369 4.515 ( 0.000 -6.642 -5.501) 8.624 4.710 ( 0.000 0.273 8.523) 8.527 4.735 ( 0.000 -2.929 8.626) 9.110 5.083 ( 0.000 0.372 1.112) 1.173 5.089 ( 0.000 -0.301 1.692) 1.718 5.214 ( 0.000 3.407 -7.061) 7.840 5.282 ( 0.000 -3.587 -10.793) 11.374 5.818 ( 0.000 9.774 10.664) 14.466 5.891 ( 0.000 2.301 4.824) 5.345 6.534 ( 0.000 4.265 -3.485) 5.507 6.591 ( 0.000 -2.181 -6.606) 6.957 6.663 ( 0.000 -3.018 -0.750) 3.109 6.690 ( 0.000 -5.402 -4.727) 7.178 7.666 ( 0.000 6.316 2.658) 6.853 7.710 ( 0.000 2.361 -1.677) 2.896 7.984 ( 0.000 -6.184 -0.435) 6.200 7.990 ( 0.000 -7.585 -1.103) 7.665 8.991 ( 0.000 2.758 2.949) 4.038 8.995 ( 0.000 2.303 2.410) 3.334 9.523 ( 0.000 1.916 15.344) 15.464 9.544 ( 0.000 -0.332 11.320) 11.325 9.858 ( 0.000 7.282 1.272) 7.392 9.987 ( 0.000 -3.708 -2.390) 4.411 10.135 ( 0.000 4.848 -0.060) 4.848 10.289 ( 0.000 -8.086 -2.492) 8.462 10.450 ( 0.000 0.635 17.515) 17.526 10.485 ( 0.000 -3.918 9.747) 10.505 10.999 ( 0.000 2.134 -20.396) 20.507 11.022 ( 0.000 -0.625 -21.693) 21.702 11.439 ( 0.000 0.417 3.234) 3.261 11.495 ( 0.000 -5.625 -2.552) 6.177 12.191 ( 0.000 16.563 14.010) 21.694 12.373 ( 0.000 8.239 -4.699) 9.485 12.459 ( 0.000 -10.327 3.696) 10.968 12.470 ( 0.000 -2.194 1.213) 2.507 13.195 ( 0.000 -1.368 1.803) 2.263 13.307 ( 0.000 -11.536 -8.510) 14.335 14.802 ( 0.000 6.164 0.428) 6.179 14.845 ( 0.000 1.644 -3.747) 4.092 15.908 ( 0.000 5.363 4.792) 7.192 15.988 ( 0.000 2.487 -1.721) 3.024 16.081 ( 0.000 -4.933 2.077) 5.353 16.158 ( 0.000 -7.440 -4.110) 8.500 16.527 ( 0.000 3.012 -0.914) 3.148 16.530 ( 0.000 2.826 -1.244) 3.087 16.957 ( 0.000 0.466 2.788) 2.827 17.002 ( 0.000 -4.315 -1.501) 4.569 17.425 ( 0.000 2.563 5.954) 6.482 17.492 ( 0.000 -4.857 5.879) 7.626 17.589 ( 0.000 2.529 -6.005) 6.515 17.671 ( 0.000 -6.386 -7.774) 10.061 18.347 ( 0.000 3.135 0.449) 3.167 18.350 ( 0.000 2.693 0.188) 2.699 ======================= Grid point 199 (72/75) ======================= q-point: ( 0.11 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 6.650 1.111 5.074) 8.438 1.798 ( 6.255 -1.116 2.632) 6.877 1.886 ( 5.840 9.108 12.302) 16.383 2.087 ( 5.130 -8.891 8.552) 13.360 2.201 ( 6.568 4.460 -6.597) 10.323 2.389 ( 5.193 -11.792 -8.806) 15.606 2.625 ( -3.314 10.556 -1.934) 11.232 2.766 ( -2.657 -1.327 -3.568) 4.643 2.932 ( 1.987 3.619 3.008) 5.108 3.005 ( 2.333 -0.991 -0.654) 2.618 3.388 ( -2.352 4.066 0.065) 4.698 3.444 ( -0.337 -2.790 1.792) 3.333 3.569 ( -4.454 2.146 3.077) 5.823 3.623 ( -5.847 -3.427 -1.284) 6.898 4.014 ( -10.699 5.278 1.125) 11.983 4.151 ( -9.260 -6.104 1.769) 11.231 4.316 ( 1.179 2.281 1.944) 3.220 4.332 ( 1.220 0.746 -1.042) 1.769 4.553 ( 1.411 8.197 6.029) 10.273 4.647 ( 3.811 -3.338 0.233) 5.071 4.667 ( -1.196 -2.229 -0.400) 2.561 4.747 ( 3.747 -7.327 4.967) 9.612 4.923 ( -5.998 2.514 -1.891) 6.773 5.002 ( -6.567 -6.419 -1.230) 9.265 5.316 ( 5.698 3.657 -3.100) 7.446 5.358 ( 3.501 -0.909 -4.334) 5.645 5.714 ( -8.299 8.373 7.209) 13.818 5.787 ( -8.331 0.741 0.739) 8.397 6.628 ( 7.987 3.719 0.531) 8.826 6.669 ( 2.591 1.165 -1.227) 3.095 6.718 ( 9.553 -2.635 -6.433) 11.815 6.773 ( 6.362 -5.592 -2.564) 8.850 7.756 ( 9.838 5.652 0.800) 11.374 7.836 ( 11.797 -0.311 0.228) 11.803 8.086 ( 11.983 -1.624 -0.775) 12.117 8.182 ( 14.915 -8.948 -0.153) 17.394 9.002 ( 1.138 3.372 2.587) 4.400 9.021 ( 2.468 1.576 2.867) 4.098 9.569 ( 4.477 1.402 13.625) 14.410 9.585 ( 4.107 -0.183 10.424) 11.206 9.847 ( -0.889 7.765 2.091) 8.091 9.998 ( 0.332 -6.857 1.387) 7.004 10.191 ( 4.730 6.872 -4.544) 9.500 10.339 ( 3.968 -6.547 1.930) 7.895 10.438 ( 0.011 1.332 15.351) 15.408 10.489 ( 0.591 -5.078 6.146) 7.995 11.018 ( 1.997 1.827 -19.093) 19.284 11.039 ( 1.815 -0.375 -19.497) 19.585 11.382 ( -5.585 1.131 2.730) 6.319 11.452 ( -4.134 -6.342 -1.749) 7.770 12.126 ( -5.374 13.125 9.964) 17.333 12.267 ( -8.854 1.228 -0.084) 8.940 12.454 ( 3.658 4.911 -0.048) 6.124 12.617 ( 7.363 -6.658 3.623) 10.568 13.131 ( -6.051 -0.663 1.557) 6.283 13.255 ( -4.784 -11.517 -8.461) 15.071 14.796 ( -0.320 6.148 0.618) 6.187 14.843 ( 0.032 1.172 -4.054) 4.220 15.749 ( -9.839 4.175 0.732) 10.713 15.885 ( -10.181 -9.510 1.354) 13.997 16.156 ( 6.899 5.538 -1.095) 8.914 16.245 ( 3.705 -3.964 -0.773) 5.481 16.513 ( -0.641 4.942 -0.869) 5.058 16.579 ( 3.585 -0.835 -1.127) 3.850 16.946 ( -0.858 1.642 1.996) 2.723 17.010 ( 0.798 -4.415 -0.788) 4.556 17.411 ( -1.224 2.337 4.119) 4.891 17.474 ( -1.846 -4.231 1.209) 4.772 17.634 ( 4.280 1.165 -1.943) 4.842 17.697 ( 2.527 -5.549 -5.124) 7.964 18.337 ( -0.658 3.140 0.832) 3.315 18.345 ( -0.662 2.308 0.340) 2.425 ======================= Grid point 200 (73/75) ======================= q-point: ( 0.22 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 9.383 0.029 7.922) 12.280 1.958 ( 10.853 -0.493 6.779) 12.805 2.064 ( 11.424 8.209 7.480) 15.932 2.231 ( 9.014 -6.768 3.910) 11.931 2.352 ( 8.037 2.277 -5.956) 10.259 2.498 ( 5.119 -8.012 -4.500) 10.518 2.602 ( 1.076 4.209 -3.001) 5.280 2.694 ( -2.919 -3.294 -0.556) 4.437 2.968 ( 0.976 7.913 2.580) 8.380 3.049 ( 1.690 0.452 -4.147) 4.501 3.331 ( -3.952 4.325 -1.187) 5.978 3.393 ( -6.040 -1.803 2.490) 6.777 3.450 ( -6.400 0.578 -0.536) 6.448 3.488 ( -6.165 -3.088 -4.928) 8.475 3.848 ( -6.356 2.556 1.186) 6.952 3.982 ( -7.729 -9.911 -0.818) 12.595 4.245 ( -8.184 5.636 4.529) 10.920 4.293 ( -11.707 2.842 3.128) 12.447 4.427 ( -0.558 9.196 -0.681) 9.238 4.612 ( -2.750 -9.525 -1.491) 10.025 4.787 ( 1.564 -1.215 1.781) 2.663 4.801 ( 3.568 -3.115 -0.132) 4.738 4.917 ( 4.765 2.248 -1.439) 5.462 4.991 ( 4.502 -6.854 1.796) 8.395 5.356 ( -2.514 3.299 2.615) 4.903 5.382 ( -0.823 0.458 0.041) 0.943 5.576 ( -3.784 6.295 0.206) 7.348 5.645 ( -4.805 -1.159 -3.550) 6.085 6.749 ( 5.146 2.631 -0.652) 5.816 6.794 ( 8.004 -0.288 1.643) 8.176 6.903 ( 7.875 -0.868 -3.595) 8.701 6.916 ( 7.805 -1.684 -1.206) 8.075 8.037 ( 17.090 4.892 0.102) 17.776 8.148 ( 18.259 -4.952 1.188) 18.956 8.391 ( 17.389 3.042 0.141) 17.653 8.512 ( 17.171 -7.711 1.047) 18.852 9.032 ( 1.710 4.911 2.891) 5.950 9.089 ( 4.203 -0.724 2.857) 5.133 9.685 ( 6.733 1.500 7.882) 10.475 9.701 ( 6.549 0.199 6.926) 9.534 9.827 ( -0.770 5.866 6.359) 8.685 9.967 ( -4.003 -8.595 4.899) 10.673 10.254 ( 0.292 6.350 -2.733) 6.920 10.348 ( -3.130 -3.139 5.104) 6.760 10.527 ( 7.940 0.534 8.702) 11.793 10.566 ( 8.354 -3.752 0.705) 9.185 11.077 ( 3.693 1.905 -14.154) 14.752 11.099 ( 4.036 -0.150 -15.053) 15.586 11.236 ( -8.484 2.811 1.762) 9.110 11.349 ( -5.471 -8.593 -1.051) 10.241 12.000 ( -7.217 9.650 5.718) 13.338 12.079 ( -9.865 1.840 -1.898) 10.213 12.524 ( 2.948 8.115 2.242) 8.920 12.739 ( 4.545 -9.153 4.680) 11.240 12.985 ( -7.612 3.063 -0.235) 8.209 13.146 ( -5.506 -10.794 -7.115) 14.052 14.807 ( 1.760 5.934 0.743) 6.234 14.859 ( 1.926 0.575 -4.564) 4.987 15.561 ( -8.969 1.438 -0.546) 9.100 15.681 ( -10.032 -10.364 0.019) 14.424 16.266 ( 3.694 4.062 0.132) 5.492 16.289 ( 1.593 0.914 -1.193) 2.190 16.492 ( -1.538 7.168 -1.013) 7.401 16.645 ( 2.453 -6.560 -1.005) 7.075 16.932 ( -0.301 4.687 1.011) 4.804 17.032 ( 1.363 -4.650 -0.154) 4.848 17.379 ( -2.101 1.834 1.972) 3.416 17.426 ( -2.675 -3.063 -2.207) 4.627 17.732 ( 4.562 -0.258 0.988) 4.675 17.769 ( 4.864 -4.274 -1.668) 6.686 18.322 ( -1.243 2.694 1.154) 3.184 18.330 ( -0.397 1.816 1.147) 2.185 ======================= Grid point 201 (74/75) ======================= q-point: ( 0.33 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 9.381 1.410 9.433) 13.378 2.184 ( 10.892 -2.125 7.749) 13.535 2.309 ( 12.338 6.801 6.890) 15.683 2.420 ( 9.471 -0.640 -1.237) 9.573 2.511 ( 7.957 -2.954 -1.105) 8.559 2.585 ( 4.005 -4.969 -1.670) 6.597 2.633 ( 1.415 2.425 -0.879) 2.942 2.691 ( 2.353 -1.695 -1.015) 3.072 2.976 ( -0.000 8.138 -0.531) 8.155 3.057 ( -1.189 1.671 -6.658) 6.966 3.213 ( -7.044 1.623 -3.095) 7.863 3.227 ( -8.186 0.615 -1.669) 8.377 3.356 ( -3.497 -1.268 1.271) 3.931 3.397 ( -3.619 -4.770 -2.295) 6.412 3.690 ( -11.514 -1.316 -0.187) 11.591 3.779 ( -13.562 -10.115 -5.123) 17.678 4.107 ( -2.298 4.723 3.288) 6.196 4.108 ( -4.098 3.599 1.614) 5.688 4.421 ( -1.592 9.309 -0.602) 9.464 4.559 ( -3.412 -6.169 0.728) 7.087 4.792 ( 0.705 2.750 -1.369) 3.151 4.864 ( 2.738 -5.277 -0.398) 5.958 5.030 ( 3.478 -0.892 0.501) 3.625 5.050 ( 0.368 -2.734 -0.123) 2.762 5.299 ( -0.562 4.193 2.950) 5.158 5.356 ( 0.198 -1.414 1.629) 2.166 5.555 ( -0.050 2.436 -0.688) 2.532 5.583 ( -2.444 -0.832 -3.248) 4.149 6.852 ( 4.729 3.607 0.123) 5.949 6.932 ( 5.722 -3.635 1.168) 6.879 7.031 ( 5.088 1.383 -0.379) 5.287 7.048 ( 4.965 -0.052 -1.628) 5.225 8.366 ( 14.514 3.179 -0.074) 14.858 8.481 ( 13.533 -8.700 1.098) 16.126 8.762 ( 19.982 5.625 1.876) 20.843 8.841 ( 15.822 -2.447 2.834) 16.259 9.067 ( 1.840 7.198 3.215) 8.095 9.179 ( 4.534 -3.958 3.145) 6.790 9.711 ( -5.141 2.812 3.105) 6.632 9.772 ( -4.692 -2.859 0.673) 5.536 9.882 ( 2.216 -0.509 8.234) 8.542 9.912 ( 7.639 -2.830 8.390) 11.694 10.217 ( -3.643 1.604 0.386) 4.000 10.254 ( -5.129 -2.262 -2.517) 6.145 10.697 ( 7.750 4.398 5.738) 10.599 10.758 ( 9.431 -0.784 6.750) 11.625 11.054 ( -7.256 4.291 3.538) 9.142 11.129 ( -2.253 -2.984 -4.168) 5.600 11.188 ( 4.693 2.711 -11.730) 12.922 11.304 ( 2.908 -9.249 -5.838) 11.317 11.841 ( -8.656 6.518 -1.199) 10.901 11.887 ( -9.054 0.962 -2.854) 9.542 12.570 ( 1.830 8.144 2.536) 8.724 12.779 ( -0.466 -12.900 4.283) 13.600 12.880 ( -2.318 9.785 -1.726) 10.203 13.053 ( -3.756 -8.507 -4.087) 10.158 14.873 ( 4.756 6.151 0.076) 7.775 14.926 ( 4.796 1.394 -4.284) 6.580 15.392 ( -8.175 -1.879 -1.406) 8.506 15.494 ( -8.628 -11.297 -0.974) 14.248 16.288 ( 0.037 4.491 -0.234) 4.497 16.340 ( 2.353 1.342 -0.780) 2.819 16.455 ( -1.963 8.965 -1.439) 9.290 16.669 ( 0.237 -10.664 -1.390) 10.757 16.935 ( 0.416 7.458 0.407) 7.481 17.064 ( 1.752 -5.506 0.131) 5.779 17.327 ( -2.907 2.370 -0.036) 3.751 17.379 ( -1.901 -2.661 -1.340) 3.534 17.802 ( 2.728 1.586 0.920) 3.287 17.874 ( 4.927 -5.637 0.719) 7.521 18.293 ( -1.446 3.770 1.502) 4.308 18.329 ( 0.189 0.034 1.829) 1.839 ======================= Grid point 202 (75/75) ======================= q-point: ( 0.44 0.40 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 3.760 2.824 8.185) 9.439 2.352 ( 5.061 -3.553 7.675) 9.856 2.508 ( 7.120 6.232 4.251) 10.373 2.579 ( 3.670 3.562 0.645) 5.155 2.640 ( 3.866 -4.607 3.460) 6.938 2.654 ( 0.876 5.194 -0.797) 5.327 2.669 ( 3.531 -4.075 1.958) 5.736 2.749 ( 3.077 -2.695 -0.775) 4.163 2.971 ( -0.530 7.275 -4.847) 8.758 3.003 ( -2.244 7.009 -3.582) 8.185 3.098 ( -5.268 -1.694 -3.023) 6.306 3.124 ( -1.016 -0.833 -1.147) 1.744 3.329 ( 1.551 -3.819 -3.180) 5.206 3.345 ( -0.975 -5.023 -0.821) 5.183 3.441 ( -10.156 -2.999 -2.519) 10.885 3.513 ( -10.957 -9.639 -7.933) 16.610 4.089 ( 0.456 2.179 1.300) 2.578 4.137 ( 3.028 -0.878 0.468) 3.187 4.371 ( -2.665 11.042 2.462) 11.623 4.486 ( -2.821 -0.143 0.492) 2.867 4.809 ( 0.638 4.262 -2.070) 4.781 4.909 ( 1.366 -5.453 -1.081) 5.725 5.022 ( -1.189 -1.100 -2.080) 2.636 5.045 ( -0.911 -1.444 -0.956) 1.956 5.351 ( 3.449 1.459 1.295) 3.963 5.393 ( 2.505 -1.703 1.121) 3.230 5.516 ( -3.257 2.037 -0.069) 3.842 5.557 ( -0.349 -1.868 0.553) 1.979 6.921 ( 1.950 4.040 0.805) 4.558 7.013 ( 2.215 -4.887 1.146) 5.486 7.099 ( 1.701 1.818 -0.262) 2.504 7.111 ( 1.477 0.836 -0.989) 1.964 8.568 ( 5.271 1.318 -0.010) 5.434 8.660 ( 4.534 -8.526 0.841) 9.694 9.077 ( 2.919 8.249 2.880) 9.212 9.122 ( 11.057 5.183 3.683) 12.755 9.176 ( 16.074 5.434 4.320) 17.509 9.245 ( 1.784 -4.147 2.819) 5.322 9.527 ( -14.597 -2.517 4.900) 15.602 9.600 ( -6.205 -7.921 5.034) 11.251 9.984 ( 4.429 2.419 0.266) 5.053 10.045 ( 4.568 -3.893 2.210) 6.396 10.122 ( -4.410 2.351 -2.147) 5.439 10.182 ( -2.296 -3.477 -0.540) 4.202 10.803 ( 2.830 9.291 8.330) 12.795 10.868 ( 0.085 9.929 6.880) 12.080 10.980 ( 1.437 -6.195 7.148) 9.567 11.060 ( -3.165 -7.571 1.758) 8.392 11.269 ( 2.703 5.090 -8.356) 10.151 11.402 ( 4.573 -8.329 -5.699) 11.080 11.685 ( -5.745 4.915 -7.545) 10.681 11.744 ( -4.443 -1.520 -5.877) 7.523 12.600 ( 0.985 7.880 1.450) 8.073 12.772 ( 0.299 -9.652 0.489) 9.669 12.853 ( -1.046 8.629 0.301) 8.697 12.998 ( -1.612 -6.453 -1.010) 6.728 14.972 ( 4.044 8.273 -1.570) 9.341 15.036 ( 5.431 6.963 -2.275) 9.119 15.241 ( -6.449 -8.104 -2.305) 10.610 15.353 ( -4.754 -14.319 -1.699) 15.183 16.286 ( -0.084 5.716 -0.492) 5.738 16.375 ( 1.221 -2.217 -0.306) 2.549 16.420 ( -1.345 12.219 -2.044) 12.461 16.667 ( -0.205 -12.136 -1.944) 12.292 16.943 ( 0.265 8.601 0.257) 8.609 17.095 ( 1.099 -7.452 0.234) 7.536 17.278 ( -1.643 4.566 -0.676) 4.899 17.353 ( -0.699 -3.095 -0.474) 3.208 17.839 ( 0.977 3.292 0.921) 3.555 17.945 ( 1.976 -7.433 1.272) 7.796 18.270 ( -0.689 5.324 1.831) 5.672 18.333 ( 0.159 -1.350 2.104) 2.505 =================== 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 3/29160 10.0 1152.799 924.545 1247.713 0.000 0.000 -0.000 3/29160 20.0 211.942 151.300 184.637 0.000 0.000 0.000 3/29160 30.0 80.418 60.960 66.710 0.000 0.000 0.000 3/29160 40.0 44.049 35.156 35.915 0.000 0.000 0.000 3/29160 50.0 29.225 24.091 23.620 0.000 0.000 0.000 3/29160 60.0 21.576 18.120 17.335 0.000 0.000 0.000 3/29160 70.0 16.996 14.416 13.594 0.000 0.000 0.000 3/29160 80.0 13.975 11.911 11.139 0.000 0.000 0.000 3/29160 90.0 11.846 10.115 9.419 0.000 0.000 0.000 3/29160 100.0 10.273 8.776 8.154 0.000 0.000 0.000 3/29160 110.0 9.066 7.744 7.189 0.000 0.000 0.000 3/29160 120.0 8.113 6.930 6.431 0.000 0.000 0.000 3/29160 130.0 7.342 6.273 5.821 0.000 0.000 0.000 3/29160 140.0 6.708 5.733 5.320 0.000 0.000 0.000 3/29160 150.0 6.175 5.283 4.901 0.000 0.000 0.000 3/29160 160.0 5.723 4.902 4.546 0.000 0.000 0.000 3/29160 170.0 5.334 4.575 4.241 0.000 0.000 0.000 3/29160 180.0 4.996 4.291 3.976 0.000 0.000 0.000 3/29160 190.0 4.699 4.043 3.743 0.000 0.000 0.000 3/29160 200.0 4.437 3.824 3.537 0.000 0.000 0.000 3/29160 210.0 4.203 3.628 3.354 0.000 0.000 0.000 3/29160 220.0 3.993 3.453 3.189 0.000 0.000 0.000 3/29160 230.0 3.804 3.295 3.041 0.000 0.000 0.000 3/29160 240.0 3.632 3.152 2.906 0.000 0.000 0.000 3/29160 250.0 3.476 3.021 2.783 0.000 0.000 0.000 3/29160 260.0 3.332 2.901 2.670 0.000 0.000 0.000 3/29160 270.0 3.201 2.791 2.567 0.000 0.000 0.000 3/29160 280.0 3.080 2.689 2.471 0.000 0.000 0.000 3/29160 290.0 2.967 2.594 2.383 0.000 0.000 0.000 3/29160 300.0 2.863 2.506 2.300 0.000 0.000 0.000 3/29160 310.0 2.766 2.424 2.224 0.000 0.000 0.000 3/29160 320.0 2.676 2.348 2.152 0.000 0.000 0.000 3/29160 330.0 2.591 2.276 2.085 0.000 0.000 0.000 3/29160 340.0 2.512 2.209 2.022 0.000 0.000 0.000 3/29160 350.0 2.437 2.145 1.963 0.000 0.000 0.000 3/29160 360.0 2.367 2.085 1.907 0.000 0.000 0.000 3/29160 370.0 2.301 2.029 1.855 0.000 0.000 0.000 3/29160 380.0 2.238 1.975 1.805 0.000 0.000 0.000 3/29160 390.0 2.179 1.925 1.758 0.000 0.000 0.000 3/29160 400.0 2.123 1.877 1.713 0.000 0.000 0.000 3/29160 410.0 2.070 1.831 1.671 0.000 0.000 0.000 3/29160 420.0 2.019 1.787 1.630 0.000 0.000 0.000 3/29160 430.0 1.971 1.746 1.592 0.000 0.000 0.000 3/29160 440.0 1.925 1.706 1.555 0.000 0.000 0.000 3/29160 450.0 1.881 1.668 1.520 0.000 0.000 0.000 3/29160 460.0 1.840 1.632 1.487 0.000 0.000 0.000 3/29160 470.0 1.800 1.598 1.455 0.000 0.000 0.000 3/29160 480.0 1.761 1.564 1.424 0.000 0.000 0.000 3/29160 490.0 1.725 1.533 1.395 0.000 0.000 0.000 3/29160 500.0 1.690 1.502 1.367 0.000 0.000 0.000 3/29160 510.0 1.656 1.473 1.340 0.000 0.000 0.000 3/29160 520.0 1.624 1.445 1.314 0.000 0.000 0.000 3/29160 530.0 1.592 1.417 1.289 0.000 0.000 0.000 3/29160 540.0 1.562 1.391 1.265 0.000 0.000 0.000 3/29160 550.0 1.534 1.366 1.242 0.000 0.000 0.000 3/29160 560.0 1.506 1.342 1.219 0.000 0.000 0.000 3/29160 570.0 1.479 1.318 1.198 0.000 0.000 0.000 3/29160 580.0 1.453 1.296 1.177 0.000 0.000 0.000 3/29160 590.0 1.428 1.274 1.157 0.000 0.000 0.000 3/29160 600.0 1.404 1.253 1.138 0.000 0.000 0.000 3/29160 610.0 1.381 1.232 1.119 0.000 0.000 0.000 3/29160 620.0 1.358 1.212 1.101 0.000 0.000 0.000 3/29160 630.0 1.337 1.193 1.083 0.000 0.000 0.000 3/29160 640.0 1.315 1.175 1.066 0.000 0.000 0.000 3/29160 650.0 1.295 1.157 1.050 0.000 0.000 0.000 3/29160 660.0 1.275 1.139 1.034 0.000 0.000 0.000 3/29160 670.0 1.256 1.122 1.018 0.000 0.000 0.000 3/29160 680.0 1.237 1.106 1.003 0.000 0.000 0.000 3/29160 690.0 1.219 1.090 0.989 0.000 0.000 0.000 3/29160 700.0 1.202 1.074 0.974 0.000 0.000 0.000 3/29160 710.0 1.185 1.059 0.961 0.000 0.000 0.000 3/29160 720.0 1.168 1.045 0.947 0.000 0.000 0.000 3/29160 730.0 1.152 1.030 0.934 0.000 0.000 0.000 3/29160 740.0 1.136 1.016 0.921 0.000 0.000 0.000 3/29160 750.0 1.121 1.003 0.909 0.000 0.000 0.000 3/29160 760.0 1.106 0.990 0.897 0.000 0.000 0.000 3/29160 770.0 1.092 0.977 0.885 0.000 0.000 0.000 3/29160 780.0 1.077 0.965 0.874 0.000 0.000 0.000 3/29160 790.0 1.064 0.952 0.863 0.000 0.000 0.000 3/29160 800.0 1.050 0.940 0.852 0.000 0.000 0.000 3/29160 810.0 1.037 0.929 0.842 0.000 0.000 0.000 3/29160 820.0 1.025 0.918 0.831 0.000 0.000 0.000 3/29160 830.0 1.012 0.907 0.821 0.000 0.000 0.000 3/29160 840.0 1.000 0.896 0.812 0.000 0.000 0.000 3/29160 850.0 0.988 0.885 0.802 0.000 0.000 0.000 3/29160 860.0 0.977 0.875 0.793 0.000 0.000 0.000 3/29160 870.0 0.965 0.865 0.783 0.000 0.000 0.000 3/29160 880.0 0.954 0.855 0.775 0.000 0.000 0.000 3/29160 890.0 0.944 0.846 0.766 0.000 0.000 0.000 3/29160 900.0 0.933 0.836 0.757 0.000 0.000 0.000 3/29160 910.0 0.923 0.827 0.749 0.000 0.000 0.000 3/29160 920.0 0.913 0.818 0.741 0.000 0.000 0.000 3/29160 930.0 0.903 0.809 0.733 0.000 0.000 0.000 3/29160 940.0 0.893 0.801 0.725 0.000 0.000 0.000 3/29160 950.0 0.884 0.792 0.717 0.000 0.000 0.000 3/29160 960.0 0.874 0.784 0.710 0.000 0.000 0.000 3/29160 970.0 0.865 0.776 0.703 0.000 0.000 0.000 3/29160 980.0 0.856 0.768 0.695 0.000 0.000 0.000 3/29160 990.0 0.848 0.760 0.688 0.000 0.000 0.000 3/29160 1000.0 0.839 0.753 0.681 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m959.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:56:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|