----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:58:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.899886530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.476861579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.942787889999999 Atomic positions (fractional): *1 Na 0.42546647375926 0.25000000000000 0.09237205707517 22.990 2 Na 0.57453352624074 0.75000000000000 0.90762794292483 22.990 3 Na 0.07453352624074 0.75000000000000 0.59237205707517 22.990 4 Na 0.92546647375926 0.25000000000000 0.40762794292483 22.990 *5 P 0.08135778869196 0.01232603746860 0.09722367780277 30.974 6 P 0.91864221130804 0.51232603746860 0.90277632219723 30.974 7 P 0.41864221130804 0.98767396253140 0.59722367780277 30.974 8 P 0.58135778869196 0.48767396253140 0.40277632219723 30.974 9 P 0.91864221130804 0.98767396253140 0.90277632219723 30.974 10 P 0.08135778869196 0.48767396253140 0.09722367780277 30.974 11 P 0.58135778869196 0.01232603746860 0.40277632219723 30.974 12 P 0.41864221130804 0.51232603746860 0.59722367780277 30.974 *13 P 0.13845051637486 0.25000000000000 0.63423133289785 30.974 14 P 0.86154948362514 0.75000000000000 0.36576866710215 30.974 15 P 0.36154948362514 0.75000000000000 0.13423133289785 30.974 16 P 0.63845051637486 0.25000000000000 0.86576866710215 30.974 *17 P 0.31061148686365 0.25000000000000 0.47860682367197 30.974 18 P 0.68938851313635 0.75000000000000 0.52139317632803 30.974 19 P 0.18938851313635 0.75000000000000 0.97860682367197 30.974 20 P 0.81061148686365 0.25000000000000 0.02139317632803 30.974 *21 P 0.68741075015266 0.25000000000000 0.56279831063939 30.974 22 P 0.31258924984734 0.75000000000000 0.43720168936061 30.974 23 P 0.81258924984734 0.75000000000000 0.06279831063939 30.974 24 P 0.18741075015266 0.25000000000000 0.93720168936061 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.899886530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.476861579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.942787889999999 Atomic positions (fractional): *1 Na 0.42546647375926 0.25000000000000 0.09237205707517 22.990 > 1 2 Na 0.57453352624074 0.75000000000000 0.90762794292483 22.990 > 2 3 Na 0.07453352624074 0.75000000000000 0.59237205707517 22.990 > 3 4 Na 0.92546647375926 0.25000000000000 0.40762794292483 22.990 > 4 *5 P 0.08135778869196 0.01232603746860 0.09722367780277 30.974 > 5 6 P 0.91864221130804 0.51232603746860 0.90277632219723 30.974 > 6 7 P 0.41864221130804 0.98767396253140 0.59722367780277 30.974 > 7 8 P 0.58135778869196 0.48767396253140 0.40277632219723 30.974 > 8 9 P 0.91864221130804 0.98767396253140 0.90277632219723 30.974 > 9 10 P 0.08135778869196 0.48767396253140 0.09722367780277 30.974 > 10 11 P 0.58135778869196 0.01232603746860 0.40277632219723 30.974 > 11 12 P 0.41864221130804 0.51232603746860 0.59722367780277 30.974 > 12 *13 P 0.13845051637486 0.25000000000000 0.63423133289785 30.974 > 13 14 P 0.86154948362514 0.75000000000000 0.36576866710215 30.974 > 14 15 P 0.36154948362514 0.75000000000000 0.13423133289785 30.974 > 15 16 P 0.63845051637486 0.25000000000000 0.86576866710215 30.974 > 16 *17 P 0.31061148686365 0.25000000000000 0.47860682367197 30.974 > 17 18 P 0.68938851313635 0.75000000000000 0.52139317632803 30.974 > 18 19 P 0.18938851313635 0.75000000000000 0.97860682367197 30.974 > 19 20 P 0.81061148686365 0.25000000000000 0.02139317632803 30.974 > 20 *21 P 0.68741075015266 0.25000000000000 0.56279831063939 30.974 > 21 22 P 0.31258924984734 0.75000000000000 0.43720168936061 30.974 > 22 23 P 0.81258924984734 0.75000000000000 0.06279831063939 30.974 > 23 24 P 0.18741075015266 0.25000000000000 0.93720168936061 30.974 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.899886530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.953723159999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.885575779999998 Atomic positions (fractional): *1 Na 0.42546647375926 0.12500000000000 0.04618602853759 22.990 > 1 2 Na 0.42546647375926 0.62500000000000 0.04618602853759 22.990 > 1 3 Na 0.42546647375926 0.12500000000000 0.54618602853759 22.990 > 1 4 Na 0.42546647375926 0.62500000000000 0.54618602853759 22.990 > 1 5 Na 0.57453352624074 0.37500000000000 0.45381397146241 22.990 > 2 6 Na 0.57453352624074 0.87500000000000 0.45381397146241 22.990 > 2 7 Na 0.57453352624074 0.37500000000000 0.95381397146241 22.990 > 2 8 Na 0.57453352624074 0.87500000000000 0.95381397146241 22.990 > 2 9 Na 0.07453352624074 0.37500000000000 0.29618602853759 22.990 > 3 10 Na 0.07453352624074 0.87500000000000 0.29618602853759 22.990 > 3 11 Na 0.07453352624074 0.37500000000000 0.79618602853759 22.990 > 3 12 Na 0.07453352624074 0.87500000000000 0.79618602853759 22.990 > 3 13 Na 0.92546647375926 0.12500000000000 0.20381397146242 22.990 > 4 14 Na 0.92546647375926 0.62500000000000 0.20381397146242 22.990 > 4 15 Na 0.92546647375926 0.12500000000000 0.70381397146241 22.990 > 4 16 Na 0.92546647375926 0.62500000000000 0.70381397146241 22.990 > 4 *17 P 0.08135778869196 0.00616301873430 0.04861183890138 30.974 > 5 18 P 0.08135778869196 0.50616301873430 0.04861183890138 30.974 > 5 19 P 0.08135778869196 0.00616301873430 0.54861183890138 30.974 > 5 20 P 0.08135778869196 0.50616301873430 0.54861183890138 30.974 > 5 21 P 0.91864221130804 0.25616301873430 0.45138816109862 30.974 > 6 22 P 0.91864221130804 0.75616301873430 0.45138816109862 30.974 > 6 23 P 0.91864221130804 0.25616301873430 0.95138816109862 30.974 > 6 24 P 0.91864221130804 0.75616301873430 0.95138816109862 30.974 > 6 25 P 0.41864221130804 0.49383698126570 0.29861183890138 30.974 > 7 26 P 0.41864221130804 0.99383698126570 0.29861183890138 30.974 > 7 27 P 0.41864221130804 0.49383698126570 0.79861183890138 30.974 > 7 28 P 0.41864221130804 0.99383698126570 0.79861183890138 30.974 > 7 29 P 0.58135778869196 0.24383698126570 0.20138816109862 30.974 > 8 30 P 0.58135778869196 0.74383698126570 0.20138816109862 30.974 > 8 31 P 0.58135778869196 0.24383698126570 0.70138816109862 30.974 > 8 32 P 0.58135778869196 0.74383698126570 0.70138816109862 30.974 > 8 33 P 0.91864221130804 0.49383698126570 0.45138816109862 30.974 > 9 34 P 0.91864221130804 0.99383698126570 0.45138816109862 30.974 > 9 35 P 0.91864221130804 0.49383698126570 0.95138816109862 30.974 > 9 36 P 0.91864221130804 0.99383698126570 0.95138816109862 30.974 > 9 37 P 0.08135778869196 0.24383698126570 0.04861183890138 30.974 > 10 38 P 0.08135778869196 0.74383698126570 0.04861183890138 30.974 > 10 39 P 0.08135778869196 0.24383698126570 0.54861183890138 30.974 > 10 40 P 0.08135778869196 0.74383698126570 0.54861183890138 30.974 > 10 41 P 0.58135778869196 0.00616301873430 0.20138816109862 30.974 > 11 42 P 0.58135778869196 0.50616301873430 0.20138816109862 30.974 > 11 43 P 0.58135778869196 0.00616301873430 0.70138816109862 30.974 > 11 44 P 0.58135778869196 0.50616301873430 0.70138816109862 30.974 > 11 45 P 0.41864221130804 0.25616301873430 0.29861183890138 30.974 > 12 46 P 0.41864221130804 0.75616301873430 0.29861183890138 30.974 > 12 47 P 0.41864221130804 0.25616301873430 0.79861183890138 30.974 > 12 48 P 0.41864221130804 0.75616301873430 0.79861183890138 30.974 > 12 *49 P 0.13845051637486 0.12500000000000 0.31711566644893 30.974 > 13 50 P 0.13845051637486 0.62500000000000 0.31711566644893 30.974 > 13 51 P 0.13845051637486 0.12500000000000 0.81711566644893 30.974 > 13 52 P 0.13845051637486 0.62500000000000 0.81711566644893 30.974 > 13 53 P 0.86154948362514 0.37500000000000 0.18288433355107 30.974 > 14 54 P 0.86154948362514 0.87500000000000 0.18288433355107 30.974 > 14 55 P 0.86154948362514 0.37500000000000 0.68288433355107 30.974 > 14 56 P 0.86154948362514 0.87500000000000 0.68288433355107 30.974 > 14 57 P 0.36154948362514 0.37500000000000 0.06711566644893 30.974 > 15 58 P 0.36154948362514 0.87500000000000 0.06711566644893 30.974 > 15 59 P 0.36154948362514 0.37500000000000 0.56711566644893 30.974 > 15 60 P 0.36154948362514 0.87500000000000 0.56711566644893 30.974 > 15 61 P 0.63845051637486 0.12500000000000 0.43288433355107 30.974 > 16 62 P 0.63845051637486 0.62500000000000 0.43288433355107 30.974 > 16 63 P 0.63845051637486 0.12500000000000 0.93288433355107 30.974 > 16 64 P 0.63845051637486 0.62500000000000 0.93288433355107 30.974 > 16 *65 P 0.31061148686365 0.12500000000000 0.23930341183598 30.974 > 17 66 P 0.31061148686365 0.62500000000000 0.23930341183598 30.974 > 17 67 P 0.31061148686365 0.12500000000000 0.73930341183598 30.974 > 17 68 P 0.31061148686365 0.62500000000000 0.73930341183598 30.974 > 17 69 P 0.68938851313635 0.37500000000000 0.26069658816402 30.974 > 18 70 P 0.68938851313635 0.87500000000000 0.26069658816402 30.974 > 18 71 P 0.68938851313635 0.37500000000000 0.76069658816402 30.974 > 18 72 P 0.68938851313635 0.87500000000000 0.76069658816402 30.974 > 18 73 P 0.18938851313635 0.37500000000000 0.48930341183598 30.974 > 19 74 P 0.18938851313635 0.87500000000000 0.48930341183598 30.974 > 19 75 P 0.18938851313635 0.37500000000000 0.98930341183598 30.974 > 19 76 P 0.18938851313635 0.87500000000000 0.98930341183598 30.974 > 19 77 P 0.81061148686365 0.12500000000000 0.01069658816402 30.974 > 20 78 P 0.81061148686365 0.62500000000000 0.01069658816402 30.974 > 20 79 P 0.81061148686365 0.12500000000000 0.51069658816402 30.974 > 20 80 P 0.81061148686365 0.62500000000000 0.51069658816402 30.974 > 20 *81 P 0.68741075015266 0.12500000000000 0.28139915531969 30.974 > 21 82 P 0.68741075015266 0.62500000000000 0.28139915531969 30.974 > 21 83 P 0.68741075015266 0.12500000000000 0.78139915531969 30.974 > 21 84 P 0.68741075015266 0.62500000000000 0.78139915531969 30.974 > 21 85 P 0.31258924984734 0.37500000000000 0.21860084468031 30.974 > 22 86 P 0.31258924984734 0.87500000000000 0.21860084468031 30.974 > 22 87 P 0.31258924984734 0.37500000000000 0.71860084468031 30.974 > 22 88 P 0.31258924984734 0.87500000000000 0.71860084468031 30.974 > 22 89 P 0.81258924984734 0.37500000000000 0.03139915531969 30.974 > 23 90 P 0.81258924984734 0.87500000000000 0.03139915531969 30.974 > 23 91 P 0.81258924984734 0.37500000000000 0.53139915531969 30.974 > 23 92 P 0.81258924984734 0.87500000000000 0.53139915531969 30.974 > 23 93 P 0.18741075015266 0.12500000000000 0.46860084468031 30.974 > 24 94 P 0.18741075015266 0.62500000000000 0.46860084468031 30.974 > 24 95 P 0.18741075015266 0.12500000000000 0.96860084468031 30.974 > 24 96 P 0.18741075015266 0.62500000000000 0.96860084468031 30.974 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7908586 0.0000000 0.0000000 0.0000000 12.5452752 0.0000000 0.0000000 0.0000000 9.0312684 -------------------------- Born effective charges -------------------------- 1 Na 1.3313294 0.0000000 -0.0210343 0.0000000 1.3733360 0.0000000 -0.0662527 0.0000000 1.4480245 2 Na 1.3313294 0.0000000 -0.0210343 0.0000000 1.3733360 0.0000000 -0.0662527 0.0000000 1.4480245 3 Na 1.3313294 0.0000000 0.0210343 0.0000000 1.3733360 0.0000000 0.0662527 0.0000000 1.4480245 4 Na 1.3313294 0.0000000 0.0210343 0.0000000 1.3733360 0.0000000 0.0662527 0.0000000 1.4480245 5 P -0.2307587 0.0374979 0.4589832 0.1669929 -0.6197013 -0.1350300 -0.1464978 0.1253697 -0.3961827 6 P -0.2307587 -0.0374979 0.4589832 -0.1669929 -0.6197013 0.1350300 -0.1464978 -0.1253697 -0.3961827 7 P -0.2307587 0.0374979 -0.4589832 0.1669929 -0.6197013 0.1350300 0.1464978 -0.1253697 -0.3961827 8 P -0.2307587 -0.0374979 -0.4589832 -0.1669929 -0.6197013 -0.1350300 0.1464978 0.1253697 -0.3961827 9 P -0.2307587 0.0374979 0.4589832 0.1669929 -0.6197013 -0.1350300 -0.1464978 0.1253697 -0.3961827 10 P -0.2307587 -0.0374979 0.4589832 -0.1669929 -0.6197013 0.1350300 -0.1464978 -0.1253697 -0.3961827 11 P -0.2307587 0.0374979 -0.4589832 0.1669929 -0.6197013 0.1350300 0.1464978 -0.1253697 -0.3961827 12 P -0.2307587 -0.0374979 -0.4589832 -0.1669929 -0.6197013 -0.1350300 0.1464978 0.1253697 -0.3961827 13 P -1.1918964 0.0000000 0.6891021 0.0000000 -0.8137816 0.0000000 0.1914791 0.0000000 -1.4170056 14 P -1.1918964 0.0000000 0.6891021 0.0000000 -0.8137816 0.0000000 0.1914791 0.0000000 -1.4170056 15 P -1.1918964 0.0000000 -0.6891021 0.0000000 -0.8137816 0.0000000 -0.1914791 0.0000000 -1.4170056 16 P -1.1918964 0.0000000 -0.6891021 0.0000000 -0.8137816 0.0000000 -0.1914791 0.0000000 -1.4170056 17 P 0.6772773 0.0000000 0.0510813 0.0000000 0.2406610 0.0000000 -0.8125982 0.0000000 -0.0531530 18 P 0.6772773 0.0000000 0.0510813 0.0000000 0.2406610 0.0000000 -0.8125982 0.0000000 -0.0531530 19 P 0.6772773 0.0000000 -0.0510813 0.0000000 0.2406610 0.0000000 0.8125982 0.0000000 -0.0531530 20 P 0.6772773 0.0000000 -0.0510813 0.0000000 0.2406610 0.0000000 0.8125982 0.0000000 -0.0531530 21 P -0.3551930 0.0000000 0.7231135 0.0000000 0.4391871 0.0000000 -0.0605174 0.0000000 0.8144995 22 P -0.3551930 0.0000000 0.7231135 0.0000000 0.4391871 0.0000000 -0.0605174 0.0000000 0.8144995 23 P -0.3551930 0.0000000 -0.7231135 0.0000000 0.4391871 0.0000000 0.0605174 0.0000000 0.8144995 24 P -0.3551930 0.0000000 -0.7231135 0.0000000 0.4391871 0.0000000 0.0605174 0.0000000 0.8144995 ---------------------------------------------------------------------------- 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: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 400 - Time: 2.020 Solver_block: 200 / 400 - Time: 1.609 Solver_block: 300 / 400 - Time: 1.752 Solver_block: 400 / 400 - Time: 1.673 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.106 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:58:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:58:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.899886530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.476861579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.942787889999999 Atomic positions (fractional): 1 Na 0.42546647375926 0.25000000000000 0.09237205707517 22.990 2 Na 0.57453352624074 0.75000000000000 0.90762794292483 22.990 3 Na 0.07453352624074 0.75000000000000 0.59237205707517 22.990 4 Na 0.92546647375926 0.25000000000000 0.40762794292483 22.990 5 P 0.08135778869196 0.01232603746860 0.09722367780277 30.974 6 P 0.91864221130804 0.51232603746860 0.90277632219723 30.974 7 P 0.41864221130804 0.98767396253140 0.59722367780277 30.974 8 P 0.58135778869196 0.48767396253140 0.40277632219723 30.974 9 P 0.91864221130804 0.98767396253140 0.90277632219723 30.974 10 P 0.08135778869196 0.48767396253140 0.09722367780277 30.974 11 P 0.58135778869196 0.01232603746860 0.40277632219723 30.974 12 P 0.41864221130804 0.51232603746860 0.59722367780277 30.974 13 P 0.13845051637486 0.25000000000000 0.63423133289785 30.974 14 P 0.86154948362514 0.75000000000000 0.36576866710215 30.974 15 P 0.36154948362514 0.75000000000000 0.13423133289785 30.974 16 P 0.63845051637486 0.25000000000000 0.86576866710215 30.974 17 P 0.31061148686365 0.25000000000000 0.47860682367197 30.974 18 P 0.68938851313635 0.75000000000000 0.52139317632803 30.974 19 P 0.18938851313635 0.75000000000000 0.97860682367197 30.974 20 P 0.81061148686365 0.25000000000000 0.02139317632803 30.974 21 P 0.68741075015266 0.25000000000000 0.56279831063939 30.974 22 P 0.31258924984734 0.75000000000000 0.43720168936061 30.974 23 P 0.81258924984734 0.75000000000000 0.06279831063939 30.974 24 P 0.18741075015266 0.25000000000000 0.93720168936061 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.899886530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.953723159999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.885575779999998 Atomic positions (fractional): 1 Na 0.42546647375926 0.12500000000000 0.04618602853759 22.990 > 1 2 Na 0.42546647375926 0.62500000000000 0.04618602853759 22.990 > 1 3 Na 0.42546647375926 0.12500000000000 0.54618602853759 22.990 > 1 4 Na 0.42546647375926 0.62500000000000 0.54618602853759 22.990 > 1 5 Na 0.57453352624074 0.37500000000000 0.45381397146241 22.990 > 5 6 Na 0.57453352624074 0.87500000000000 0.45381397146241 22.990 > 5 7 Na 0.57453352624074 0.37500000000000 0.95381397146241 22.990 > 5 8 Na 0.57453352624074 0.87500000000000 0.95381397146241 22.990 > 5 9 Na 0.07453352624074 0.37500000000000 0.29618602853759 22.990 > 9 10 Na 0.07453352624074 0.87500000000000 0.29618602853759 22.990 > 9 11 Na 0.07453352624074 0.37500000000000 0.79618602853759 22.990 > 9 12 Na 0.07453352624074 0.87500000000000 0.79618602853759 22.990 > 9 13 Na 0.92546647375926 0.12500000000000 0.20381397146242 22.990 > 13 14 Na 0.92546647375926 0.62500000000000 0.20381397146242 22.990 > 13 15 Na 0.92546647375926 0.12500000000000 0.70381397146241 22.990 > 13 16 Na 0.92546647375926 0.62500000000000 0.70381397146241 22.990 > 13 17 P 0.08135778869196 0.00616301873430 0.04861183890138 30.974 > 17 18 P 0.08135778869196 0.50616301873430 0.04861183890138 30.974 > 17 19 P 0.08135778869196 0.00616301873430 0.54861183890138 30.974 > 17 20 P 0.08135778869196 0.50616301873430 0.54861183890138 30.974 > 17 21 P 0.91864221130804 0.25616301873430 0.45138816109862 30.974 > 21 22 P 0.91864221130804 0.75616301873430 0.45138816109862 30.974 > 21 23 P 0.91864221130804 0.25616301873430 0.95138816109862 30.974 > 21 24 P 0.91864221130804 0.75616301873430 0.95138816109862 30.974 > 21 25 P 0.41864221130804 0.49383698126570 0.29861183890138 30.974 > 25 26 P 0.41864221130804 0.99383698126570 0.29861183890138 30.974 > 25 27 P 0.41864221130804 0.49383698126570 0.79861183890138 30.974 > 25 28 P 0.41864221130804 0.99383698126570 0.79861183890138 30.974 > 25 29 P 0.58135778869196 0.24383698126570 0.20138816109862 30.974 > 29 30 P 0.58135778869196 0.74383698126570 0.20138816109862 30.974 > 29 31 P 0.58135778869196 0.24383698126570 0.70138816109862 30.974 > 29 32 P 0.58135778869196 0.74383698126570 0.70138816109862 30.974 > 29 33 P 0.91864221130804 0.49383698126570 0.45138816109862 30.974 > 33 34 P 0.91864221130804 0.99383698126570 0.45138816109862 30.974 > 33 35 P 0.91864221130804 0.49383698126570 0.95138816109862 30.974 > 33 36 P 0.91864221130804 0.99383698126570 0.95138816109862 30.974 > 33 37 P 0.08135778869196 0.24383698126570 0.04861183890138 30.974 > 37 38 P 0.08135778869196 0.74383698126570 0.04861183890138 30.974 > 37 39 P 0.08135778869196 0.24383698126570 0.54861183890138 30.974 > 37 40 P 0.08135778869196 0.74383698126570 0.54861183890138 30.974 > 37 41 P 0.58135778869196 0.00616301873430 0.20138816109862 30.974 > 41 42 P 0.58135778869196 0.50616301873430 0.20138816109862 30.974 > 41 43 P 0.58135778869196 0.00616301873430 0.70138816109862 30.974 > 41 44 P 0.58135778869196 0.50616301873430 0.70138816109862 30.974 > 41 45 P 0.41864221130804 0.25616301873430 0.29861183890138 30.974 > 45 46 P 0.41864221130804 0.75616301873430 0.29861183890138 30.974 > 45 47 P 0.41864221130804 0.25616301873430 0.79861183890138 30.974 > 45 48 P 0.41864221130804 0.75616301873430 0.79861183890138 30.974 > 45 49 P 0.13845051637486 0.12500000000000 0.31711566644893 30.974 > 49 50 P 0.13845051637486 0.62500000000000 0.31711566644893 30.974 > 49 51 P 0.13845051637486 0.12500000000000 0.81711566644893 30.974 > 49 52 P 0.13845051637486 0.62500000000000 0.81711566644893 30.974 > 49 53 P 0.86154948362514 0.37500000000000 0.18288433355107 30.974 > 53 54 P 0.86154948362514 0.87500000000000 0.18288433355107 30.974 > 53 55 P 0.86154948362514 0.37500000000000 0.68288433355107 30.974 > 53 56 P 0.86154948362514 0.87500000000000 0.68288433355107 30.974 > 53 57 P 0.36154948362514 0.37500000000000 0.06711566644893 30.974 > 57 58 P 0.36154948362514 0.87500000000000 0.06711566644893 30.974 > 57 59 P 0.36154948362514 0.37500000000000 0.56711566644893 30.974 > 57 60 P 0.36154948362514 0.87500000000000 0.56711566644893 30.974 > 57 61 P 0.63845051637486 0.12500000000000 0.43288433355107 30.974 > 61 62 P 0.63845051637486 0.62500000000000 0.43288433355107 30.974 > 61 63 P 0.63845051637486 0.12500000000000 0.93288433355107 30.974 > 61 64 P 0.63845051637486 0.62500000000000 0.93288433355107 30.974 > 61 65 P 0.31061148686365 0.12500000000000 0.23930341183598 30.974 > 65 66 P 0.31061148686365 0.62500000000000 0.23930341183598 30.974 > 65 67 P 0.31061148686365 0.12500000000000 0.73930341183598 30.974 > 65 68 P 0.31061148686365 0.62500000000000 0.73930341183598 30.974 > 65 69 P 0.68938851313635 0.37500000000000 0.26069658816402 30.974 > 69 70 P 0.68938851313635 0.87500000000000 0.26069658816402 30.974 > 69 71 P 0.68938851313635 0.37500000000000 0.76069658816402 30.974 > 69 72 P 0.68938851313635 0.87500000000000 0.76069658816402 30.974 > 69 73 P 0.18938851313635 0.37500000000000 0.48930341183598 30.974 > 73 74 P 0.18938851313635 0.87500000000000 0.48930341183598 30.974 > 73 75 P 0.18938851313635 0.37500000000000 0.98930341183598 30.974 > 73 76 P 0.18938851313635 0.87500000000000 0.98930341183598 30.974 > 73 77 P 0.81061148686365 0.12500000000000 0.01069658816402 30.974 > 77 78 P 0.81061148686365 0.62500000000000 0.01069658816402 30.974 > 77 79 P 0.81061148686365 0.12500000000000 0.51069658816402 30.974 > 77 80 P 0.81061148686365 0.62500000000000 0.51069658816402 30.974 > 77 81 P 0.68741075015266 0.12500000000000 0.28139915531969 30.974 > 81 82 P 0.68741075015266 0.62500000000000 0.28139915531969 30.974 > 81 83 P 0.68741075015266 0.12500000000000 0.78139915531969 30.974 > 81 84 P 0.68741075015266 0.62500000000000 0.78139915531969 30.974 > 81 85 P 0.31258924984734 0.37500000000000 0.21860084468031 30.974 > 85 86 P 0.31258924984734 0.87500000000000 0.21860084468031 30.974 > 85 87 P 0.31258924984734 0.37500000000000 0.71860084468031 30.974 > 85 88 P 0.31258924984734 0.87500000000000 0.71860084468031 30.974 > 85 89 P 0.81258924984734 0.37500000000000 0.03139915531969 30.974 > 89 90 P 0.81258924984734 0.87500000000000 0.03139915531969 30.974 > 89 91 P 0.81258924984734 0.37500000000000 0.53139915531969 30.974 > 89 92 P 0.81258924984734 0.87500000000000 0.53139915531969 30.974 > 89 93 P 0.18741075015266 0.12500000000000 0.46860084468031 30.974 > 93 94 P 0.18741075015266 0.62500000000000 0.46860084468031 30.974 > 93 95 P 0.18741075015266 0.12500000000000 0.96860084468031 30.974 > 93 96 P 0.18741075015266 0.62500000000000 0.96860084468031 30.974 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7908586 0.0000000 0.0000000 0.0000000 12.5452752 0.0000000 0.0000000 0.0000000 9.0312684 -------------------------- Born effective charges -------------------------- 1 Na 1.3313294 0.0000000 -0.0210343 0.0000000 1.3733360 0.0000000 -0.0662527 0.0000000 1.4480245 2 Na 1.3313294 0.0000000 -0.0210343 0.0000000 1.3733360 0.0000000 -0.0662527 0.0000000 1.4480245 3 Na 1.3313294 0.0000000 0.0210343 0.0000000 1.3733360 0.0000000 0.0662527 0.0000000 1.4480245 4 Na 1.3313294 0.0000000 0.0210343 0.0000000 1.3733360 0.0000000 0.0662527 0.0000000 1.4480245 5 P -0.2307587 0.0374979 0.4589832 0.1669929 -0.6197013 -0.1350300 -0.1464978 0.1253697 -0.3961827 6 P -0.2307587 -0.0374979 0.4589832 -0.1669929 -0.6197013 0.1350300 -0.1464978 -0.1253697 -0.3961827 7 P -0.2307587 0.0374979 -0.4589832 0.1669929 -0.6197013 0.1350300 0.1464978 -0.1253697 -0.3961827 8 P -0.2307587 -0.0374979 -0.4589832 -0.1669929 -0.6197013 -0.1350300 0.1464978 0.1253697 -0.3961827 9 P -0.2307587 0.0374979 0.4589832 0.1669929 -0.6197013 -0.1350300 -0.1464978 0.1253697 -0.3961827 10 P -0.2307587 -0.0374979 0.4589832 -0.1669929 -0.6197013 0.1350300 -0.1464978 -0.1253697 -0.3961827 11 P -0.2307587 0.0374979 -0.4589832 0.1669929 -0.6197013 0.1350300 0.1464978 -0.1253697 -0.3961827 12 P -0.2307587 -0.0374979 -0.4589832 -0.1669929 -0.6197013 -0.1350300 0.1464978 0.1253697 -0.3961827 13 P -1.1918964 0.0000000 0.6891021 0.0000000 -0.8137816 0.0000000 0.1914791 0.0000000 -1.4170056 14 P -1.1918964 0.0000000 0.6891021 0.0000000 -0.8137816 0.0000000 0.1914791 0.0000000 -1.4170056 15 P -1.1918964 0.0000000 -0.6891021 0.0000000 -0.8137816 0.0000000 -0.1914791 0.0000000 -1.4170056 16 P -1.1918964 0.0000000 -0.6891021 0.0000000 -0.8137816 0.0000000 -0.1914791 0.0000000 -1.4170056 17 P 0.6772773 0.0000000 0.0510813 0.0000000 0.2406610 0.0000000 -0.8125982 0.0000000 -0.0531530 18 P 0.6772773 0.0000000 0.0510813 0.0000000 0.2406610 0.0000000 -0.8125982 0.0000000 -0.0531530 19 P 0.6772773 0.0000000 -0.0510813 0.0000000 0.2406610 0.0000000 0.8125982 0.0000000 -0.0531530 20 P 0.6772773 0.0000000 -0.0510813 0.0000000 0.2406610 0.0000000 0.8125982 0.0000000 -0.0531530 21 P -0.3551930 0.0000000 0.7231135 0.0000000 0.4391871 0.0000000 -0.0605174 0.0000000 0.8144995 22 P -0.3551930 0.0000000 0.7231135 0.0000000 0.4391871 0.0000000 -0.0605174 0.0000000 0.8144995 23 P -0.3551930 0.0000000 -0.7231135 0.0000000 0.4391871 0.0000000 0.0605174 0.0000000 0.8144995 24 P -0.3551930 0.0000000 -0.7231135 0.0000000 0.4391871 0.0000000 0.0605174 0.0000000 0.8144995 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) 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 2026-01-08 08:59:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:59:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.899886530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.476861579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.942787889999999 Atomic positions (fractional): 1 Na 0.42546647375926 0.25000000000000 0.09237205707517 22.990 2 Na 0.57453352624074 0.75000000000000 0.90762794292483 22.990 3 Na 0.07453352624074 0.75000000000000 0.59237205707517 22.990 4 Na 0.92546647375926 0.25000000000000 0.40762794292483 22.990 5 P 0.08135778869196 0.01232603746860 0.09722367780277 30.974 6 P 0.91864221130804 0.51232603746860 0.90277632219723 30.974 7 P 0.41864221130804 0.98767396253140 0.59722367780277 30.974 8 P 0.58135778869196 0.48767396253140 0.40277632219723 30.974 9 P 0.91864221130804 0.98767396253140 0.90277632219723 30.974 10 P 0.08135778869196 0.48767396253140 0.09722367780277 30.974 11 P 0.58135778869196 0.01232603746860 0.40277632219723 30.974 12 P 0.41864221130804 0.51232603746860 0.59722367780277 30.974 13 P 0.13845051637486 0.25000000000000 0.63423133289785 30.974 14 P 0.86154948362514 0.75000000000000 0.36576866710215 30.974 15 P 0.36154948362514 0.75000000000000 0.13423133289785 30.974 16 P 0.63845051637486 0.25000000000000 0.86576866710215 30.974 17 P 0.31061148686365 0.25000000000000 0.47860682367197 30.974 18 P 0.68938851313635 0.75000000000000 0.52139317632803 30.974 19 P 0.18938851313635 0.75000000000000 0.97860682367197 30.974 20 P 0.81061148686365 0.25000000000000 0.02139317632803 30.974 21 P 0.68741075015266 0.25000000000000 0.56279831063939 30.974 22 P 0.31258924984734 0.75000000000000 0.43720168936061 30.974 23 P 0.81258924984734 0.75000000000000 0.06279831063939 30.974 24 P 0.18741075015266 0.25000000000000 0.93720168936061 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.899886530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.953723159999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.885575779999998 Atomic positions (fractional): 1 Na 0.42546647375926 0.12500000000000 0.04618602853759 22.990 > 1 2 Na 0.42546647375926 0.62500000000000 0.04618602853759 22.990 > 1 3 Na 0.42546647375926 0.12500000000000 0.54618602853759 22.990 > 1 4 Na 0.42546647375926 0.62500000000000 0.54618602853759 22.990 > 1 5 Na 0.57453352624074 0.37500000000000 0.45381397146241 22.990 > 5 6 Na 0.57453352624074 0.87500000000000 0.45381397146241 22.990 > 5 7 Na 0.57453352624074 0.37500000000000 0.95381397146241 22.990 > 5 8 Na 0.57453352624074 0.87500000000000 0.95381397146241 22.990 > 5 9 Na 0.07453352624074 0.37500000000000 0.29618602853759 22.990 > 9 10 Na 0.07453352624074 0.87500000000000 0.29618602853759 22.990 > 9 11 Na 0.07453352624074 0.37500000000000 0.79618602853759 22.990 > 9 12 Na 0.07453352624074 0.87500000000000 0.79618602853759 22.990 > 9 13 Na 0.92546647375926 0.12500000000000 0.20381397146242 22.990 > 13 14 Na 0.92546647375926 0.62500000000000 0.20381397146242 22.990 > 13 15 Na 0.92546647375926 0.12500000000000 0.70381397146241 22.990 > 13 16 Na 0.92546647375926 0.62500000000000 0.70381397146241 22.990 > 13 17 P 0.08135778869196 0.00616301873430 0.04861183890138 30.974 > 17 18 P 0.08135778869196 0.50616301873430 0.04861183890138 30.974 > 17 19 P 0.08135778869196 0.00616301873430 0.54861183890138 30.974 > 17 20 P 0.08135778869196 0.50616301873430 0.54861183890138 30.974 > 17 21 P 0.91864221130804 0.25616301873430 0.45138816109862 30.974 > 21 22 P 0.91864221130804 0.75616301873430 0.45138816109862 30.974 > 21 23 P 0.91864221130804 0.25616301873430 0.95138816109862 30.974 > 21 24 P 0.91864221130804 0.75616301873430 0.95138816109862 30.974 > 21 25 P 0.41864221130804 0.49383698126570 0.29861183890138 30.974 > 25 26 P 0.41864221130804 0.99383698126570 0.29861183890138 30.974 > 25 27 P 0.41864221130804 0.49383698126570 0.79861183890138 30.974 > 25 28 P 0.41864221130804 0.99383698126570 0.79861183890138 30.974 > 25 29 P 0.58135778869196 0.24383698126570 0.20138816109862 30.974 > 29 30 P 0.58135778869196 0.74383698126570 0.20138816109862 30.974 > 29 31 P 0.58135778869196 0.24383698126570 0.70138816109862 30.974 > 29 32 P 0.58135778869196 0.74383698126570 0.70138816109862 30.974 > 29 33 P 0.91864221130804 0.49383698126570 0.45138816109862 30.974 > 33 34 P 0.91864221130804 0.99383698126570 0.45138816109862 30.974 > 33 35 P 0.91864221130804 0.49383698126570 0.95138816109862 30.974 > 33 36 P 0.91864221130804 0.99383698126570 0.95138816109862 30.974 > 33 37 P 0.08135778869196 0.24383698126570 0.04861183890138 30.974 > 37 38 P 0.08135778869196 0.74383698126570 0.04861183890138 30.974 > 37 39 P 0.08135778869196 0.24383698126570 0.54861183890138 30.974 > 37 40 P 0.08135778869196 0.74383698126570 0.54861183890138 30.974 > 37 41 P 0.58135778869196 0.00616301873430 0.20138816109862 30.974 > 41 42 P 0.58135778869196 0.50616301873430 0.20138816109862 30.974 > 41 43 P 0.58135778869196 0.00616301873430 0.70138816109862 30.974 > 41 44 P 0.58135778869196 0.50616301873430 0.70138816109862 30.974 > 41 45 P 0.41864221130804 0.25616301873430 0.29861183890138 30.974 > 45 46 P 0.41864221130804 0.75616301873430 0.29861183890138 30.974 > 45 47 P 0.41864221130804 0.25616301873430 0.79861183890138 30.974 > 45 48 P 0.41864221130804 0.75616301873430 0.79861183890138 30.974 > 45 49 P 0.13845051637486 0.12500000000000 0.31711566644893 30.974 > 49 50 P 0.13845051637486 0.62500000000000 0.31711566644893 30.974 > 49 51 P 0.13845051637486 0.12500000000000 0.81711566644893 30.974 > 49 52 P 0.13845051637486 0.62500000000000 0.81711566644893 30.974 > 49 53 P 0.86154948362514 0.37500000000000 0.18288433355107 30.974 > 53 54 P 0.86154948362514 0.87500000000000 0.18288433355107 30.974 > 53 55 P 0.86154948362514 0.37500000000000 0.68288433355107 30.974 > 53 56 P 0.86154948362514 0.87500000000000 0.68288433355107 30.974 > 53 57 P 0.36154948362514 0.37500000000000 0.06711566644893 30.974 > 57 58 P 0.36154948362514 0.87500000000000 0.06711566644893 30.974 > 57 59 P 0.36154948362514 0.37500000000000 0.56711566644893 30.974 > 57 60 P 0.36154948362514 0.87500000000000 0.56711566644893 30.974 > 57 61 P 0.63845051637486 0.12500000000000 0.43288433355107 30.974 > 61 62 P 0.63845051637486 0.62500000000000 0.43288433355107 30.974 > 61 63 P 0.63845051637486 0.12500000000000 0.93288433355107 30.974 > 61 64 P 0.63845051637486 0.62500000000000 0.93288433355107 30.974 > 61 65 P 0.31061148686365 0.12500000000000 0.23930341183598 30.974 > 65 66 P 0.31061148686365 0.62500000000000 0.23930341183598 30.974 > 65 67 P 0.31061148686365 0.12500000000000 0.73930341183598 30.974 > 65 68 P 0.31061148686365 0.62500000000000 0.73930341183598 30.974 > 65 69 P 0.68938851313635 0.37500000000000 0.26069658816402 30.974 > 69 70 P 0.68938851313635 0.87500000000000 0.26069658816402 30.974 > 69 71 P 0.68938851313635 0.37500000000000 0.76069658816402 30.974 > 69 72 P 0.68938851313635 0.87500000000000 0.76069658816402 30.974 > 69 73 P 0.18938851313635 0.37500000000000 0.48930341183598 30.974 > 73 74 P 0.18938851313635 0.87500000000000 0.48930341183598 30.974 > 73 75 P 0.18938851313635 0.37500000000000 0.98930341183598 30.974 > 73 76 P 0.18938851313635 0.87500000000000 0.98930341183598 30.974 > 73 77 P 0.81061148686365 0.12500000000000 0.01069658816402 30.974 > 77 78 P 0.81061148686365 0.62500000000000 0.01069658816402 30.974 > 77 79 P 0.81061148686365 0.12500000000000 0.51069658816402 30.974 > 77 80 P 0.81061148686365 0.62500000000000 0.51069658816402 30.974 > 77 81 P 0.68741075015266 0.12500000000000 0.28139915531969 30.974 > 81 82 P 0.68741075015266 0.62500000000000 0.28139915531969 30.974 > 81 83 P 0.68741075015266 0.12500000000000 0.78139915531969 30.974 > 81 84 P 0.68741075015266 0.62500000000000 0.78139915531969 30.974 > 81 85 P 0.31258924984734 0.37500000000000 0.21860084468031 30.974 > 85 86 P 0.31258924984734 0.87500000000000 0.21860084468031 30.974 > 85 87 P 0.31258924984734 0.37500000000000 0.71860084468031 30.974 > 85 88 P 0.31258924984734 0.87500000000000 0.71860084468031 30.974 > 85 89 P 0.81258924984734 0.37500000000000 0.03139915531969 30.974 > 89 90 P 0.81258924984734 0.87500000000000 0.03139915531969 30.974 > 89 91 P 0.81258924984734 0.37500000000000 0.53139915531969 30.974 > 89 92 P 0.81258924984734 0.87500000000000 0.53139915531969 30.974 > 89 93 P 0.18741075015266 0.12500000000000 0.46860084468031 30.974 > 93 94 P 0.18741075015266 0.62500000000000 0.46860084468031 30.974 > 93 95 P 0.18741075015266 0.12500000000000 0.96860084468031 30.974 > 93 96 P 0.18741075015266 0.62500000000000 0.96860084468031 30.974 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.7908586 0.0000000 0.0000000 0.0000000 12.5452752 0.0000000 0.0000000 0.0000000 9.0312684 -------------------------- Born effective charges -------------------------- 1 Na 1.3313294 0.0000000 -0.0210343 0.0000000 1.3733360 0.0000000 -0.0662527 0.0000000 1.4480245 2 Na 1.3313294 0.0000000 -0.0210343 0.0000000 1.3733360 0.0000000 -0.0662527 0.0000000 1.4480245 3 Na 1.3313294 0.0000000 0.0210343 0.0000000 1.3733360 0.0000000 0.0662527 0.0000000 1.4480245 4 Na 1.3313294 0.0000000 0.0210343 0.0000000 1.3733360 0.0000000 0.0662527 0.0000000 1.4480245 5 P -0.2307587 0.0374979 0.4589832 0.1669929 -0.6197013 -0.1350300 -0.1464978 0.1253697 -0.3961827 6 P -0.2307587 -0.0374979 0.4589832 -0.1669929 -0.6197013 0.1350300 -0.1464978 -0.1253697 -0.3961827 7 P -0.2307587 0.0374979 -0.4589832 0.1669929 -0.6197013 0.1350300 0.1464978 -0.1253697 -0.3961827 8 P -0.2307587 -0.0374979 -0.4589832 -0.1669929 -0.6197013 -0.1350300 0.1464978 0.1253697 -0.3961827 9 P -0.2307587 0.0374979 0.4589832 0.1669929 -0.6197013 -0.1350300 -0.1464978 0.1253697 -0.3961827 10 P -0.2307587 -0.0374979 0.4589832 -0.1669929 -0.6197013 0.1350300 -0.1464978 -0.1253697 -0.3961827 11 P -0.2307587 0.0374979 -0.4589832 0.1669929 -0.6197013 0.1350300 0.1464978 -0.1253697 -0.3961827 12 P -0.2307587 -0.0374979 -0.4589832 -0.1669929 -0.6197013 -0.1350300 0.1464978 0.1253697 -0.3961827 13 P -1.1918964 0.0000000 0.6891021 0.0000000 -0.8137816 0.0000000 0.1914791 0.0000000 -1.4170056 14 P -1.1918964 0.0000000 0.6891021 0.0000000 -0.8137816 0.0000000 0.1914791 0.0000000 -1.4170056 15 P -1.1918964 0.0000000 -0.6891021 0.0000000 -0.8137816 0.0000000 -0.1914791 0.0000000 -1.4170056 16 P -1.1918964 0.0000000 -0.6891021 0.0000000 -0.8137816 0.0000000 -0.1914791 0.0000000 -1.4170056 17 P 0.6772773 0.0000000 0.0510813 0.0000000 0.2406610 0.0000000 -0.8125982 0.0000000 -0.0531530 18 P 0.6772773 0.0000000 0.0510813 0.0000000 0.2406610 0.0000000 -0.8125982 0.0000000 -0.0531530 19 P 0.6772773 0.0000000 -0.0510813 0.0000000 0.2406610 0.0000000 0.8125982 0.0000000 -0.0531530 20 P 0.6772773 0.0000000 -0.0510813 0.0000000 0.2406610 0.0000000 0.8125982 0.0000000 -0.0531530 21 P -0.3551930 0.0000000 0.7231135 0.0000000 0.4391871 0.0000000 -0.0605174 0.0000000 0.8144995 22 P -0.3551930 0.0000000 0.7231135 0.0000000 0.4391871 0.0000000 -0.0605174 0.0000000 0.8144995 23 P -0.3551930 0.0000000 -0.7231135 0.0000000 0.4391871 0.0000000 0.0605174 0.0000000 0.8144995 24 P -0.3551930 0.0000000 -0.7231135 0.0000000 0.4391871 0.0000000 0.0605174 0.0000000 0.8144995 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 7 ] 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: 0.53, Number of G-points: 299, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.481 ( 0.000 0.000 0.000) 0.000 0.611 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.645 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.167 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 0.000) 0.000 12.425 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.590 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 13.059 ( 0.000 0.000 0.000) 0.000 13.228 ( 0.000 0.000 0.000) 0.000 13.277 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 14.042 ( 0.000 0.000 0.000) 0.000 14.299 ( 0.000 0.000 0.000) 0.000 14.440 ( 0.000 0.000 0.000) 0.000 14.539 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( 9.095 0.000 0.000) 9.095 0.466 ( -1.683 0.000 0.000) 1.683 0.515 ( 27.047 0.000 0.000) 27.047 0.686 ( 8.961 0.000 0.000) 8.961 0.948 ( 48.273 0.000 0.000) 48.273 1.727 ( -18.114 0.000 0.000) 18.114 1.998 ( -26.288 0.000 0.000) 26.288 2.138 ( 2.397 0.000 0.000) 2.397 2.147 ( 0.956 0.000 0.000) 0.956 2.205 ( 2.335 0.000 0.000) 2.335 2.664 ( 5.005 0.000 0.000) 5.005 2.781 ( -1.281 0.000 0.000) 1.281 2.891 ( 16.526 0.000 0.000) 16.526 3.064 ( 5.701 0.000 0.000) 5.701 3.097 ( 2.005 0.000 0.000) 2.005 3.135 ( -5.666 0.000 0.000) 5.666 3.568 ( -8.171 0.000 0.000) 8.171 3.765 ( -13.231 0.000 0.000) 13.231 3.771 ( 2.008 0.000 0.000) 2.008 3.781 ( -4.291 0.000 0.000) 4.291 3.961 ( -19.762 0.000 0.000) 19.762 4.199 ( -3.900 0.000 0.000) 3.900 4.221 ( 12.180 0.000 0.000) 12.180 4.344 ( 12.924 0.000 0.000) 12.924 4.460 ( -1.107 0.000 0.000) 1.107 4.633 ( -0.126 0.000 0.000) 0.126 4.655 ( 0.467 0.000 0.000) 0.467 4.769 ( -3.110 0.000 0.000) 3.110 4.777 ( -5.389 0.000 0.000) 5.389 5.365 ( -33.200 0.000 0.000) 33.200 5.437 ( 10.223 0.000 0.000) 10.223 5.443 ( 4.819 0.000 0.000) 4.819 5.597 ( -3.531 0.000 0.000) 3.531 5.617 ( 0.340 0.000 0.000) 0.340 6.271 ( 21.918 0.000 0.000) 21.918 6.440 ( -0.416 0.000 0.000) 0.416 6.475 ( -1.239 0.000 0.000) 1.239 6.577 ( 3.833 0.000 0.000) 3.833 6.715 ( 17.642 0.000 0.000) 17.642 7.356 ( -9.894 0.000 0.000) 9.894 7.569 ( 0.335 0.000 0.000) 0.335 7.882 ( -0.168 0.000 0.000) 0.168 8.126 ( -0.413 0.000 0.000) 0.413 8.127 ( -2.000 0.000 0.000) 2.000 11.565 ( -1.572 0.000 0.000) 1.572 11.570 ( 0.333 0.000 0.000) 0.333 11.598 ( -0.367 0.000 0.000) 0.367 11.628 ( -1.741 0.000 0.000) 1.741 11.834 ( 7.866 0.000 0.000) 7.866 12.113 ( 0.529 0.000 0.000) 0.529 12.171 ( 0.452 0.000 0.000) 0.452 12.203 ( -0.340 0.000 0.000) 0.340 12.433 ( 0.854 0.000 0.000) 0.854 12.524 ( -3.409 0.000 0.000) 3.409 12.548 ( -2.950 0.000 0.000) 2.950 12.595 ( -5.526 0.000 0.000) 5.526 12.676 ( 2.727 0.000 0.000) 2.727 12.749 ( 1.896 0.000 0.000) 1.896 12.754 ( -0.168 0.000 0.000) 0.168 12.775 ( 0.464 0.000 0.000) 0.464 13.093 ( 3.251 0.000 0.000) 3.251 13.227 ( -0.122 0.000 0.000) 0.122 13.273 ( -0.445 0.000 0.000) 0.445 13.336 ( -1.823 0.000 0.000) 1.823 13.682 ( 0.087 0.000 0.000) 0.087 13.717 ( -0.763 0.000 0.000) 0.763 13.790 ( 3.117 0.000 0.000) 3.117 14.015 ( -2.811 0.000 0.000) 2.811 14.369 ( 0.087 0.000 0.000) 0.087 14.415 ( -1.873 0.000 0.000) 1.873 14.579 ( 3.398 0.000 0.000) 3.398 14.736 ( -1.369 0.000 0.000) 1.369 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 5.626 0.000 0.000) 5.626 0.417 ( -3.635 0.000 0.000) 3.635 0.948 ( 18.832 0.000 0.000) 18.832 0.992 ( 25.321 0.000 0.000) 25.321 1.339 ( -22.619 0.000 0.000) 22.619 1.436 ( -18.620 0.000 0.000) 18.620 1.798 ( 26.258 0.000 0.000) 26.258 2.165 ( 0.663 0.000 0.000) 0.663 2.165 ( 0.687 0.000 0.000) 0.687 2.171 ( -9.453 0.000 0.000) 9.453 2.803 ( 9.504 0.000 0.000) 9.504 2.830 ( 5.514 0.000 0.000) 5.514 2.998 ( -7.979 0.000 0.000) 7.979 3.027 ( -8.771 0.000 0.000) 8.771 3.073 ( 4.696 0.000 0.000) 4.696 3.120 ( -0.485 0.000 0.000) 0.485 3.474 ( 0.354 0.000 0.000) 0.354 3.619 ( -14.617 0.000 0.000) 14.617 3.649 ( 0.360 0.000 0.000) 0.360 3.702 ( -4.023 0.000 0.000) 4.023 3.973 ( 15.993 0.000 0.000) 15.993 4.114 ( -3.007 0.000 0.000) 3.007 4.332 ( -2.464 0.000 0.000) 2.464 4.504 ( 13.256 0.000 0.000) 13.256 4.535 ( 7.854 0.000 0.000) 7.854 4.543 ( -18.242 0.000 0.000) 18.242 4.635 ( -3.093 0.000 0.000) 3.093 4.690 ( 1.498 0.000 0.000) 1.498 4.741 ( -1.219 0.000 0.000) 1.219 4.819 ( -21.436 0.000 0.000) 21.436 5.542 ( 5.120 0.000 0.000) 5.120 5.561 ( 2.749 0.000 0.000) 2.749 5.573 ( 0.112 0.000 0.000) 0.112 5.608 ( -1.801 0.000 0.000) 1.801 6.436 ( 0.179 0.000 0.000) 0.179 6.450 ( -1.293 0.000 0.000) 1.293 6.689 ( 21.581 0.000 0.000) 21.581 6.717 ( 10.167 0.000 0.000) 10.167 6.882 ( -0.185 0.000 0.000) 0.185 7.095 ( -17.923 0.000 0.000) 17.923 7.640 ( 8.139 0.000 0.000) 8.139 7.809 ( -7.980 0.000 0.000) 7.980 8.111 ( 0.337 0.000 0.000) 0.337 8.120 ( -0.314 0.000 0.000) 0.314 11.559 ( 0.857 0.000 0.000) 0.857 11.578 ( 0.556 0.000 0.000) 0.556 11.589 ( -2.172 0.000 0.000) 2.172 11.589 ( -0.577 0.000 0.000) 0.577 11.989 ( 8.153 0.000 0.000) 8.153 12.099 ( -3.077 0.000 0.000) 3.077 12.182 ( 0.670 0.000 0.000) 0.670 12.194 ( -0.600 0.000 0.000) 0.600 12.457 ( 1.755 0.000 0.000) 1.755 12.470 ( -1.230 0.000 0.000) 1.230 12.497 ( -2.552 0.000 0.000) 2.552 12.500 ( -4.121 0.000 0.000) 4.121 12.720 ( 1.945 0.000 0.000) 1.945 12.745 ( -0.855 0.000 0.000) 0.855 12.773 ( 0.810 0.000 0.000) 0.810 12.780 ( 0.030 0.000 0.000) 0.030 13.160 ( 3.594 0.000 0.000) 3.594 13.212 ( -1.877 0.000 0.000) 1.877 13.272 ( 0.715 0.000 0.000) 0.715 13.298 ( -1.988 0.000 0.000) 1.988 13.687 ( 0.488 0.000 0.000) 0.488 13.700 ( -0.911 0.000 0.000) 0.911 13.862 ( 4.517 0.000 0.000) 4.517 13.946 ( -4.398 0.000 0.000) 4.398 14.373 ( 0.418 0.000 0.000) 0.418 14.387 ( -1.114 0.000 0.000) 1.114 14.644 ( 3.405 0.000 0.000) 3.405 14.699 ( -2.561 0.000 0.000) 2.561 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 0.000 18.519 0.000) 18.519 0.539 ( 0.000 29.278 0.000) 29.278 0.771 ( 0.000 21.479 0.000) 21.479 1.241 ( 0.000 52.646 0.000) 52.646 1.791 ( 0.000 9.250 0.000) 9.250 1.982 ( 0.000 -6.737 0.000) 6.737 2.095 ( 0.000 -3.371 0.000) 3.371 2.257 ( 0.000 5.249 0.000) 5.249 2.375 ( 0.000 38.266 0.000) 38.266 2.445 ( 0.000 5.470 0.000) 5.470 2.537 ( 0.000 -0.248 0.000) 0.248 2.701 ( 0.000 9.097 0.000) 9.097 2.871 ( 0.000 -5.882 0.000) 5.882 3.045 ( 0.000 14.826 0.000) 14.826 3.049 ( 0.000 -0.559 0.000) 0.559 3.338 ( 0.000 9.599 0.000) 9.599 3.702 ( 0.000 3.449 0.000) 3.449 3.766 ( 0.000 0.138 0.000) 0.138 3.920 ( 0.000 7.816 0.000) 7.816 3.983 ( 0.000 -4.558 0.000) 4.558 4.032 ( 0.000 -0.827 0.000) 0.827 4.244 ( 0.000 15.619 0.000) 15.619 4.256 ( 0.000 4.681 0.000) 4.681 4.289 ( 0.000 -2.036 0.000) 2.036 4.384 ( 0.000 5.279 0.000) 5.279 4.645 ( 0.000 -1.540 0.000) 1.540 4.667 ( 0.000 -0.783 0.000) 0.783 4.754 ( 0.000 -5.323 0.000) 5.323 4.788 ( 0.000 0.158 0.000) 0.158 4.988 ( 0.000 -16.406 0.000) 16.406 5.584 ( 0.000 -2.012 0.000) 2.012 5.645 ( 0.000 -0.881 0.000) 0.881 5.722 ( 0.000 16.703 0.000) 16.703 5.927 ( 0.000 3.420 0.000) 3.420 5.948 ( 0.000 2.378 0.000) 2.378 6.362 ( 0.000 -5.731 0.000) 5.731 6.453 ( 0.000 0.713 0.000) 0.713 6.456 ( 0.000 0.890 0.000) 0.890 6.702 ( 0.000 10.970 0.000) 10.970 7.434 ( 0.000 -1.346 0.000) 1.346 7.542 ( 0.000 -3.242 0.000) 3.242 7.696 ( 0.000 -1.521 0.000) 1.521 8.098 ( 0.000 -3.415 0.000) 3.415 8.118 ( 0.000 -3.474 0.000) 3.474 11.510 ( 0.000 -7.378 0.000) 7.378 11.558 ( 0.000 -0.831 0.000) 0.831 11.576 ( 0.000 -1.831 0.000) 1.831 11.609 ( 0.000 -3.489 0.000) 3.489 11.793 ( 0.000 3.324 0.000) 3.324 12.066 ( 0.000 -3.716 0.000) 3.716 12.178 ( 0.000 -2.890 0.000) 2.890 12.178 ( 0.000 -0.966 0.000) 0.966 12.424 ( 0.000 -0.125 0.000) 0.125 12.504 ( 0.000 -4.385 0.000) 4.385 12.543 ( 0.000 -11.742 0.000) 11.742 12.592 ( 0.000 -4.047 0.000) 4.047 12.617 ( 0.000 1.217 0.000) 1.217 12.657 ( 0.000 -3.274 0.000) 3.274 12.736 ( 0.000 -3.119 0.000) 3.119 12.746 ( 0.000 -2.349 0.000) 2.349 13.099 ( 0.000 2.762 0.000) 2.762 13.245 ( 0.000 1.444 0.000) 1.444 13.277 ( 0.000 -0.031 0.000) 0.031 13.381 ( 0.000 2.551 0.000) 2.551 13.661 ( 0.000 -2.016 0.000) 2.016 13.704 ( 0.000 -1.975 0.000) 1.975 13.761 ( 0.000 0.879 0.000) 0.879 14.003 ( 0.000 -4.018 0.000) 4.018 14.198 ( 0.000 -9.806 0.000) 9.806 14.363 ( 0.000 -7.497 0.000) 7.497 14.447 ( 0.000 -8.974 0.000) 8.974 14.678 ( 0.000 -6.980 0.000) 6.980 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 19.315 9.414 0.000) 21.487 0.789 ( 2.739 22.464 0.000) 22.631 0.965 ( 25.433 21.398 0.000) 33.237 1.225 ( -4.346 32.143 0.000) 32.435 1.529 ( -2.572 42.902 0.000) 42.979 1.952 ( -5.283 2.320 0.000) 5.770 1.989 ( -19.678 0.195 0.000) 19.679 2.182 ( -2.658 3.581 0.000) 4.459 2.260 ( -0.544 4.093 0.000) 4.129 2.312 ( -4.435 33.967 0.000) 34.256 2.730 ( 4.130 7.822 0.000) 8.846 2.845 ( 0.269 1.940 0.000) 1.958 2.880 ( 15.438 -0.535 0.000) 15.447 2.988 ( -0.236 -5.875 0.000) 5.880 3.182 ( 3.995 8.281 0.000) 9.195 3.266 ( -7.343 7.705 0.000) 10.643 3.600 ( -8.618 3.112 0.000) 9.163 3.738 ( -0.316 0.863 0.000) 0.919 3.880 ( -4.069 4.732 0.000) 6.241 3.898 ( -5.993 11.817 0.000) 13.250 4.025 ( -13.402 9.976 0.000) 16.708 4.158 ( -4.093 -0.541 0.000) 4.129 4.193 ( 11.403 -2.379 0.000) 11.649 4.420 ( 8.622 6.798 0.000) 10.980 4.458 ( -2.174 -0.060 0.000) 2.175 4.597 ( -1.314 -3.664 0.000) 3.893 4.643 ( -0.393 -4.229 0.000) 4.247 4.762 ( -3.089 -0.964 0.000) 3.236 4.776 ( -1.705 3.399 0.000) 3.803 5.085 ( 9.296 -15.819 0.000) 18.348 5.367 ( -28.678 -0.632 0.000) 28.685 5.407 ( -11.309 -7.824 0.000) 13.752 5.773 ( 4.014 14.661 0.000) 15.201 5.809 ( 3.694 9.132 0.000) 9.851 6.293 ( 20.827 2.229 0.000) 20.946 6.415 ( 4.974 -2.931 0.000) 5.773 6.457 ( 0.511 1.584 0.000) 1.664 6.695 ( -0.200 9.037 0.000) 9.040 6.707 ( 17.586 -0.737 0.000) 17.601 7.331 ( -9.240 -1.265 0.000) 9.326 7.537 ( 0.190 -3.274 0.000) 3.280 7.791 ( 3.771 -5.391 0.000) 6.579 8.092 ( -2.044 -3.563 0.000) 4.108 8.093 ( -0.403 -3.359 0.000) 3.383 11.491 ( -1.044 -6.132 0.000) 6.220 11.546 ( -1.272 -2.573 0.000) 2.870 11.595 ( 1.085 -1.294 0.000) 1.688 11.608 ( -0.106 -1.687 0.000) 1.691 11.847 ( 5.562 1.196 0.000) 5.690 12.075 ( 0.699 -3.632 0.000) 3.698 12.173 ( -0.131 -0.502 0.000) 0.519 12.175 ( -0.254 -2.971 0.000) 2.981 12.421 ( -0.780 -2.248 0.000) 2.379 12.443 ( -4.775 -5.563 0.000) 7.331 12.506 ( -2.363 -7.598 0.000) 7.957 12.587 ( -2.086 1.342 0.000) 2.481 12.636 ( 2.279 -3.701 0.000) 4.346 12.678 ( 0.747 -5.446 0.000) 5.496 12.739 ( 0.673 -2.406 0.000) 2.499 12.752 ( 0.561 -2.230 0.000) 2.299 13.124 ( 2.616 2.369 0.000) 3.529 13.248 ( 0.109 1.672 0.000) 1.675 13.273 ( -0.244 0.125 0.000) 0.275 13.362 ( -1.860 2.589 0.000) 3.188 13.663 ( 0.165 -1.934 0.000) 1.941 13.701 ( -0.515 -1.617 0.000) 1.697 13.788 ( 2.719 -0.118 0.000) 2.721 13.982 ( -2.300 -3.500 0.000) 4.188 14.229 ( 2.046 -11.548 0.000) 11.728 14.326 ( -2.631 -8.628 0.000) 9.020 14.495 ( 3.856 -8.169 0.000) 9.033 14.664 ( -1.477 -7.067 0.000) 7.220 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 5.059 23.623 0.000) 24.158 0.939 ( -9.472 31.312 0.000) 32.714 1.032 ( 21.424 6.178 0.000) 22.297 1.329 ( -0.311 14.948 0.000) 14.951 1.612 ( -9.147 22.979 0.000) 24.732 1.755 ( -14.094 25.956 0.000) 29.536 1.890 ( 24.976 12.880 0.000) 28.102 2.191 ( -7.076 1.918 0.000) 7.332 2.208 ( 2.944 7.369 0.000) 7.935 2.272 ( -3.133 19.017 0.000) 19.274 2.838 ( 7.343 3.909 0.000) 8.319 2.910 ( 4.372 4.693 0.000) 6.414 2.979 ( -0.444 -5.174 0.000) 5.193 3.050 ( 4.593 -0.940 0.000) 4.688 3.101 ( -9.428 5.233 0.000) 10.783 3.148 ( -6.031 3.716 0.000) 7.084 3.487 ( -0.985 2.054 0.000) 2.278 3.602 ( -12.068 -0.053 0.000) 12.068 3.853 ( 0.504 19.484 0.000) 19.491 3.873 ( -0.894 15.683 0.000) 15.708 4.009 ( 13.076 5.107 0.000) 14.038 4.096 ( -0.663 -0.966 0.000) 1.171 4.287 ( -3.294 -4.120 0.000) 5.275 4.471 ( -11.934 -3.384 0.000) 12.404 4.479 ( 10.336 -1.655 0.000) 10.468 4.577 ( -1.692 0.282 0.000) 1.715 4.665 ( 2.047 -2.973 0.000) 3.609 4.666 ( 0.503 -2.179 0.000) 2.237 4.737 ( -2.426 4.879 0.000) 5.449 4.866 ( -19.573 5.607 0.000) 20.361 5.238 ( 6.260 -14.702 0.000) 15.980 5.313 ( -2.880 -13.284 0.000) 13.593 5.824 ( 1.473 11.329 0.000) 11.424 5.838 ( 0.025 10.562 0.000) 10.562 6.471 ( 1.115 3.263 0.000) 3.448 6.483 ( 0.849 3.083 0.000) 3.198 6.701 ( 21.430 1.360 0.000) 21.473 6.758 ( 7.542 4.293 0.000) 8.678 6.887 ( 0.853 0.736 0.000) 1.127 7.090 ( -16.919 -0.086 0.000) 16.919 7.600 ( 7.563 -3.907 0.000) 8.513 7.757 ( -6.998 -4.755 0.000) 8.460 8.076 ( 0.364 -3.660 0.000) 3.678 8.086 ( -0.449 -3.486 0.000) 3.515 11.489 ( 0.857 -5.344 0.000) 5.412 11.516 ( -1.807 -4.530 0.000) 4.877 11.606 ( 0.193 0.037 0.000) 0.197 11.607 ( -0.035 0.105 0.000) 0.110 11.971 ( 6.977 -1.612 0.000) 7.161 12.066 ( -2.646 -2.960 0.000) 3.970 12.174 ( 0.211 -2.527 0.000) 2.535 12.175 ( 0.157 -1.007 0.000) 1.020 12.370 ( -2.196 -7.004 0.000) 7.340 12.381 ( -2.720 -7.608 0.000) 8.080 12.499 ( 1.397 -0.264 0.000) 1.422 12.539 ( -2.728 1.440 0.000) 3.085 12.667 ( 1.055 -4.741 0.000) 4.857 12.679 ( -0.320 -5.458 0.000) 5.468 12.755 ( 0.780 -2.273 0.000) 2.403 12.761 ( 0.207 -2.069 0.000) 2.079 13.181 ( 3.227 1.555 0.000) 3.582 13.231 ( -1.999 1.164 0.000) 2.313 13.284 ( 1.567 1.672 0.000) 2.291 13.322 ( -2.289 2.442 0.000) 3.347 13.670 ( 0.637 -1.710 0.000) 1.825 13.686 ( -1.009 -1.469 0.000) 1.782 13.851 ( 3.951 -1.263 0.000) 4.148 13.924 ( -3.779 -2.397 0.000) 4.475 14.258 ( 1.306 -10.869 0.000) 10.947 14.285 ( -1.765 -9.807 0.000) 9.964 14.566 ( 3.663 -7.655 0.000) 8.486 14.625 ( -2.739 -7.311 0.000) 7.807 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 18.383 0.000) 18.383 1.125 ( 0.000 30.671 0.000) 30.671 1.168 ( 0.000 18.716 0.000) 18.716 1.732 ( 0.000 8.283 0.000) 8.283 1.896 ( 0.000 -1.747 0.000) 1.747 2.035 ( 0.000 -2.568 0.000) 2.568 2.124 ( 0.000 12.729 0.000) 12.729 2.357 ( 0.000 5.075 0.000) 5.075 2.563 ( 0.000 3.437 0.000) 3.437 2.567 ( 0.000 6.969 0.000) 6.969 2.638 ( 0.000 -15.097 0.000) 15.097 2.820 ( 0.000 -1.025 0.000) 1.025 3.108 ( 0.000 31.692 0.000) 31.692 3.295 ( 0.000 9.873 0.000) 9.873 3.372 ( 0.000 -4.995 0.000) 4.995 3.376 ( 0.000 32.588 0.000) 32.588 3.787 ( 0.000 0.669 0.000) 0.669 3.787 ( 0.000 4.942 0.000) 4.942 3.858 ( 0.000 -7.780 0.000) 7.780 4.004 ( 0.000 -3.126 0.000) 3.126 4.057 ( 0.000 3.530 0.000) 3.530 4.221 ( 0.000 -6.136 0.000) 6.136 4.442 ( 0.000 13.308 0.000) 13.308 4.463 ( 0.000 -14.789 0.000) 14.789 4.546 ( 0.000 5.278 0.000) 5.278 4.555 ( 0.000 -0.043 0.000) 0.043 4.663 ( 0.000 0.677 0.000) 0.677 4.741 ( 0.000 25.554 0.000) 25.554 4.938 ( 0.000 10.131 0.000) 10.131 4.957 ( 0.000 23.888 0.000) 23.888 5.554 ( 0.000 -0.872 0.000) 0.872 5.625 ( 0.000 -0.931 0.000) 0.931 5.966 ( 0.000 0.070 0.000) 0.070 6.002 ( 0.000 11.586 0.000) 11.586 6.027 ( 0.000 5.809 0.000) 5.809 6.269 ( 0.000 -4.592 0.000) 4.592 6.467 ( 0.000 0.799 0.000) 0.799 6.482 ( 0.000 1.587 0.000) 1.587 6.912 ( 0.000 10.301 0.000) 10.301 7.398 ( 0.000 -2.432 0.000) 2.432 7.452 ( 0.000 -5.828 0.000) 5.828 7.658 ( 0.000 -2.163 0.000) 2.163 7.995 ( 0.000 -7.584 0.000) 7.584 8.020 ( 0.000 -6.706 0.000) 6.706 11.365 ( 0.000 -6.720 0.000) 6.720 11.527 ( 0.000 -4.199 0.000) 4.199 11.527 ( 0.000 -3.066 0.000) 3.066 11.543 ( 0.000 -0.350 0.000) 0.350 11.851 ( 0.000 2.711 0.000) 2.711 11.981 ( 0.000 -4.761 0.000) 4.761 12.099 ( 0.000 -5.048 0.000) 5.048 12.145 ( 0.000 -2.902 0.000) 2.902 12.286 ( 0.000 -12.931 0.000) 12.931 12.396 ( 0.000 -6.757 0.000) 6.757 12.421 ( 0.000 -0.258 0.000) 0.258 12.495 ( 0.000 -6.100 0.000) 6.100 12.559 ( 0.000 -6.856 0.000) 6.856 12.629 ( 0.000 0.169 0.000) 0.169 12.658 ( 0.000 -4.855 0.000) 4.855 12.688 ( 0.000 -3.126 0.000) 3.126 13.144 ( 0.000 2.102 0.000) 2.102 13.270 ( 0.000 0.976 0.000) 0.976 13.279 ( 0.000 0.352 0.000) 0.352 13.442 ( 0.000 3.445 0.000) 3.445 13.607 ( 0.000 -3.505 0.000) 3.505 13.642 ( 0.000 -5.014 0.000) 5.014 13.756 ( 0.000 -3.115 0.000) 3.115 13.881 ( 0.000 -8.746 0.000) 8.746 13.993 ( 0.000 -7.605 0.000) 7.605 14.189 ( 0.000 -9.268 0.000) 9.268 14.242 ( 0.000 -10.541 0.000) 10.541 14.500 ( 0.000 -10.760 0.000) 10.760 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 12.150 14.762 0.000) 19.119 1.197 ( 3.268 18.909 0.000) 19.189 1.369 ( 21.443 23.395 0.000) 31.736 1.615 ( -11.266 11.820 0.000) 16.329 1.927 ( 2.832 -0.840 0.000) 2.954 1.937 ( -8.790 1.281 0.000) 8.883 2.162 ( -6.368 10.593 0.000) 12.359 2.312 ( 2.975 8.511 0.000) 9.016 2.343 ( -1.880 4.557 0.000) 4.930 2.674 ( 3.812 -12.809 0.000) 13.364 2.857 ( 2.514 -3.536 0.000) 4.339 2.861 ( 10.793 0.917 0.000) 10.832 3.107 ( -0.193 25.377 0.000) 25.377 3.116 ( -10.793 24.975 0.000) 27.207 3.294 ( -6.232 -0.335 0.000) 6.241 3.418 ( -1.586 18.149 0.000) 18.218 3.678 ( -7.710 4.610 0.000) 8.983 3.784 ( -0.508 3.049 0.000) 3.091 3.930 ( 3.531 -6.163 0.000) 7.103 3.932 ( -7.790 1.749 0.000) 7.984 4.135 ( 11.082 -3.833 0.000) 11.726 4.226 ( -2.266 -2.517 0.000) 3.387 4.446 ( -1.226 -3.407 0.000) 3.621 4.446 ( -8.921 22.188 0.000) 23.914 4.504 ( 2.302 -0.136 0.000) 2.306 4.536 ( 0.114 0.487 0.000) 0.500 4.546 ( -0.849 0.743 0.000) 1.128 4.836 ( -2.315 12.621 0.000) 12.832 4.916 ( -2.095 8.854 0.000) 9.098 5.021 ( 6.152 18.458 0.000) 19.456 5.259 ( -13.875 -4.837 0.000) 14.694 5.431 ( -24.447 6.430 0.000) 25.278 5.941 ( 6.412 4.079 0.000) 7.599 5.986 ( -1.059 6.728 0.000) 6.811 6.351 ( 18.444 3.158 0.000) 18.713 6.389 ( 10.443 -0.258 0.000) 10.446 6.487 ( 3.348 1.219 0.000) 3.563 6.698 ( 17.263 0.257 0.000) 17.265 6.881 ( -2.376 9.735 0.000) 10.021 7.322 ( -7.729 0.271 0.000) 7.733 7.449 ( 0.184 -5.540 0.000) 5.543 7.695 ( 1.569 -4.943 0.000) 5.186 7.991 ( -2.406 -7.012 0.000) 7.413 7.992 ( -0.336 -7.453 0.000) 7.461 11.364 ( 0.164 -6.067 0.000) 6.069 11.479 ( -3.126 -3.557 0.000) 4.736 11.551 ( 2.073 -3.027 0.000) 3.668 11.577 ( 1.659 -1.143 0.000) 2.015 11.874 ( 2.537 1.469 0.000) 2.931 11.989 ( 0.986 -4.996 0.000) 5.092 12.088 ( -1.190 -5.694 0.000) 5.817 12.140 ( -0.631 -3.681 0.000) 3.735 12.254 ( -2.766 -10.852 0.000) 11.199 12.332 ( -4.935 -5.657 0.000) 7.507 12.442 ( 1.945 -0.942 0.000) 2.161 12.530 ( 2.032 -6.932 0.000) 7.224 12.559 ( 0.042 -6.959 0.000) 6.959 12.602 ( -2.501 -0.129 0.000) 2.505 12.667 ( 1.014 -4.679 0.000) 4.788 12.699 ( 0.712 -2.966 0.000) 3.050 13.163 ( 1.959 1.877 0.000) 2.713 13.267 ( -0.653 0.475 0.000) 0.807 13.291 ( 1.628 1.584 0.000) 2.271 13.425 ( -1.685 3.625 0.000) 3.997 13.611 ( 0.480 -3.241 0.000) 3.276 13.650 ( 0.454 -4.075 0.000) 4.100 13.760 ( 0.671 -4.579 0.000) 4.628 13.868 ( -1.386 -8.700 0.000) 8.809 14.005 ( 1.234 -8.219 0.000) 8.311 14.135 ( -3.555 -9.059 0.000) 9.732 14.301 ( 4.206 -10.737 0.000) 11.532 14.485 ( -1.657 -10.828 0.000) 10.954 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 16.311 11.645 0.000) 20.041 1.302 ( 8.952 17.864 0.000) 19.981 1.380 ( -12.931 15.680 0.000) 20.324 1.535 ( -12.334 12.384 0.000) 17.478 1.908 ( 11.938 11.411 0.000) 16.514 1.972 ( 1.447 3.656 0.000) 3.931 2.071 ( 1.190 2.431 0.000) 2.706 2.247 ( -9.899 4.275 0.000) 10.783 2.539 ( 15.522 10.906 0.000) 18.970 2.762 ( -1.506 6.173 0.000) 6.354 2.795 ( -1.220 -10.537 0.000) 10.607 2.907 ( -4.719 -2.658 0.000) 5.416 3.079 ( 4.133 17.296 0.000) 17.783 3.106 ( 0.203 2.313 0.000) 2.322 3.231 ( 0.279 22.869 0.000) 22.870 3.311 ( -8.083 16.853 0.000) 18.691 3.558 ( -3.379 5.073 0.000) 6.095 3.630 ( -10.497 2.930 0.000) 10.898 3.977 ( 3.413 -5.629 0.000) 6.583 4.028 ( 9.246 3.445 0.000) 9.867 4.136 ( -0.541 -6.245 0.000) 6.268 4.299 ( 4.608 3.017 0.000) 5.507 4.332 ( -3.577 11.000 0.000) 11.566 4.427 ( -13.617 1.376 0.000) 13.686 4.503 ( 7.671 8.581 0.000) 11.510 4.563 ( 2.689 -4.660 0.000) 5.380 4.590 ( 1.241 7.875 0.000) 7.972 4.641 ( -9.048 0.335 0.000) 9.054 4.880 ( -0.605 6.933 0.000) 6.959 4.999 ( -14.986 0.575 0.000) 14.997 5.139 ( 5.454 12.402 0.000) 13.548 5.201 ( -2.171 11.926 0.000) 12.122 5.975 ( -0.079 4.130 0.000) 4.131 5.981 ( -0.266 3.961 0.000) 3.970 6.525 ( 3.003 0.871 0.000) 3.127 6.537 ( 3.282 1.220 0.000) 3.501 6.754 ( 20.818 4.490 0.000) 21.296 6.880 ( 3.049 8.239 0.000) 8.785 6.920 ( 4.323 2.964 0.000) 5.242 7.110 ( -15.463 2.383 0.000) 15.646 7.500 ( 6.543 -6.137 0.000) 8.971 7.647 ( -6.908 -6.369 0.000) 9.396 7.969 ( 0.320 -7.565 0.000) 7.572 7.982 ( -0.715 -7.481 0.000) 7.515 11.380 ( 1.679 -5.161 0.000) 5.427 11.423 ( -2.868 -4.361 0.000) 5.219 11.585 ( 1.286 -2.025 0.000) 2.399 11.595 ( 0.201 -1.105 0.000) 1.123 11.941 ( 4.388 -1.375 0.000) 4.598 12.004 ( -0.986 -3.223 0.000) 3.370 12.067 ( 0.268 -8.686 0.000) 8.690 12.109 ( -2.854 -7.619 0.000) 8.136 12.221 ( -0.105 -5.719 0.000) 5.720 12.252 ( -3.280 -4.252 0.000) 5.370 12.486 ( 2.763 -1.516 0.000) 3.152 12.537 ( -2.196 -4.392 0.000) 4.910 12.560 ( 0.059 -6.419 0.000) 6.420 12.562 ( -0.518 -3.206 0.000) 3.248 12.689 ( 1.177 -4.359 0.000) 4.515 12.704 ( -0.271 -3.667 0.000) 3.677 13.207 ( 2.473 1.300 0.000) 2.794 13.246 ( -1.667 0.752 0.000) 1.829 13.334 ( 2.772 2.929 0.000) 4.033 13.385 ( -2.610 3.680 0.000) 4.511 13.625 ( 1.012 -2.778 0.000) 2.957 13.645 ( -0.954 -2.699 0.000) 2.863 13.788 ( 2.255 -7.112 0.000) 7.461 13.833 ( -2.390 -8.288 0.000) 8.625 14.035 ( 1.918 -8.786 0.000) 8.993 14.077 ( -2.738 -8.849 0.000) 9.263 14.377 ( 3.913 -10.995 0.000) 11.671 14.441 ( -3.013 -10.969 0.000) 11.375 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 21.165 0.000) 21.165 1.461 ( 0.000 10.380 0.000) 10.380 1.671 ( 0.000 23.542 0.000) 23.542 1.844 ( 0.000 4.259 0.000) 4.259 1.900 ( 0.000 1.331 0.000) 1.331 2.005 ( 0.000 -0.025 0.000) 0.025 2.200 ( 0.000 -1.610 0.000) 1.610 2.271 ( 0.000 -20.950 0.000) 20.950 2.460 ( 0.000 5.834 0.000) 5.834 2.673 ( 0.000 7.739 0.000) 7.739 2.722 ( 0.000 9.372 0.000) 9.372 2.727 ( 0.000 -6.733 0.000) 6.733 3.224 ( 0.000 -8.403 0.000) 8.403 3.442 ( 0.000 6.240 0.000) 6.240 3.544 ( 0.000 2.301 0.000) 2.301 3.702 ( 0.000 -7.793 0.000) 7.793 3.784 ( 0.000 -0.612 0.000) 0.612 3.787 ( 0.000 -12.664 0.000) 12.664 3.809 ( 0.000 11.721 0.000) 11.721 3.879 ( 0.000 4.128 0.000) 4.128 4.085 ( 0.000 0.683 0.000) 0.683 4.125 ( 0.000 -1.271 0.000) 1.271 4.380 ( 0.000 4.251 0.000) 4.251 4.464 ( 0.000 -4.000 0.000) 4.000 4.483 ( 0.000 -4.462 0.000) 4.462 4.555 ( 0.000 -2.067 0.000) 2.067 5.112 ( 0.000 32.908 0.000) 32.908 5.246 ( 0.000 20.415 0.000) 20.415 5.287 ( 0.000 25.019 0.000) 25.019 5.553 ( 0.000 30.264 0.000) 30.264 5.561 ( 0.000 2.447 0.000) 2.447 5.623 ( 0.000 1.338 0.000) 1.338 5.933 ( 0.000 -2.732 0.000) 2.732 6.126 ( 0.000 1.427 0.000) 1.427 6.138 ( 0.000 1.639 0.000) 1.639 6.142 ( 0.000 -9.885 0.000) 9.885 6.493 ( 0.000 2.003 0.000) 2.003 6.506 ( 0.000 0.679 0.000) 0.679 7.091 ( 0.000 8.348 0.000) 8.348 7.339 ( 0.000 -3.820 0.000) 3.820 7.355 ( 0.000 -1.655 0.000) 1.655 7.631 ( 0.000 0.043 0.000) 0.043 7.789 ( 0.000 -13.974 0.000) 13.974 7.861 ( 0.000 -9.409 0.000) 9.409 11.287 ( 0.000 -0.599 0.000) 0.599 11.455 ( 0.000 -4.824 0.000) 4.824 11.488 ( 0.000 0.939 0.000) 0.939 11.560 ( 0.000 1.984 0.000) 1.984 11.886 ( 0.000 -4.874 0.000) 4.874 11.900 ( 0.000 2.449 0.000) 2.449 11.988 ( 0.000 -6.529 0.000) 6.529 12.023 ( 0.000 -7.254 0.000) 7.254 12.149 ( 0.000 -1.835 0.000) 1.835 12.269 ( 0.000 -5.085 0.000) 5.085 12.354 ( 0.000 -9.166 0.000) 9.166 12.354 ( 0.000 -7.866 0.000) 7.866 12.459 ( 0.000 -0.325 0.000) 0.325 12.562 ( 0.000 -4.655 0.000) 4.655 12.629 ( 0.000 -0.051 0.000) 0.051 12.644 ( 0.000 -1.364 0.000) 1.364 13.194 ( 0.000 3.481 0.000) 3.481 13.283 ( 0.000 0.557 0.000) 0.557 13.290 ( 0.000 0.678 0.000) 0.678 13.477 ( 0.000 -10.980 0.000) 10.980 13.508 ( 0.000 3.459 0.000) 3.459 13.540 ( 0.000 -2.620 0.000) 2.620 13.655 ( 0.000 -4.767 0.000) 4.767 13.688 ( 0.000 -9.938 0.000) 9.938 13.983 ( 0.000 4.323 0.000) 4.323 14.050 ( 0.000 -4.475 0.000) 4.475 14.084 ( 0.000 -5.670 0.000) 5.670 14.289 ( 0.000 -10.562 0.000) 10.562 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 7.914 19.273 0.000) 20.834 1.491 ( 3.382 10.396 0.000) 10.932 1.783 ( -6.385 6.513 0.000) 9.121 1.820 ( 14.644 19.243 0.000) 24.181 1.933 ( 3.422 1.125 0.000) 3.602 1.945 ( -6.460 1.946 0.000) 6.747 2.282 ( 4.369 1.208 0.000) 4.533 2.332 ( 6.274 -19.455 0.000) 20.442 2.415 ( -10.311 6.795 0.000) 12.349 2.446 ( -1.596 5.841 0.000) 6.055 2.740 ( 0.474 -7.580 0.000) 7.595 2.868 ( 0.222 -3.088 0.000) 3.096 3.142 ( -3.271 -1.809 0.000) 3.738 3.397 ( -3.453 9.489 0.000) 10.098 3.542 ( 0.599 0.675 0.000) 0.903 3.716 ( 0.169 -3.877 0.000) 3.881 3.760 ( -4.674 10.811 0.000) 11.778 3.837 ( -3.927 0.367 0.000) 3.944 3.856 ( 4.587 3.379 0.000) 5.698 3.895 ( 7.639 -6.634 0.000) 10.117 4.028 ( -3.317 -0.132 0.000) 3.319 4.115 ( 0.281 -2.646 0.000) 2.661 4.403 ( -4.649 -3.315 0.000) 5.710 4.420 ( 3.887 1.516 0.000) 4.172 4.479 ( -1.918 -5.399 0.000) 5.729 4.528 ( -1.797 -1.921 0.000) 2.630 5.043 ( -9.843 19.736 0.000) 22.055 5.078 ( -18.727 10.062 0.000) 21.259 5.249 ( -11.275 11.354 0.000) 16.001 5.250 ( -3.125 24.244 0.000) 24.445 5.566 ( 1.455 29.005 0.000) 29.042 5.700 ( -3.361 20.241 0.000) 20.518 5.946 ( 5.209 -4.287 0.000) 6.746 6.018 ( -3.290 -3.014 0.000) 4.462 6.333 ( 10.779 -7.106 0.000) 12.911 6.350 ( 10.851 -5.738 0.000) 12.275 6.547 ( 12.057 6.079 0.000) 13.503 6.722 ( 17.087 1.231 0.000) 17.131 7.069 ( -1.176 10.097 0.000) 10.166 7.332 ( -2.711 -0.012 0.000) 2.711 7.360 ( 0.469 -1.356 0.000) 1.435 7.607 ( -2.404 -3.185 0.000) 3.990 7.790 ( 0.003 -13.662 0.000) 13.662 7.821 ( -3.664 -10.280 0.000) 10.914 11.295 ( 0.975 -0.222 0.000) 0.999 11.449 ( -3.340 1.316 0.000) 3.589 11.477 ( 2.252 -5.025 0.000) 5.507 11.574 ( 0.652 0.404 0.000) 0.767 11.882 ( -0.192 -5.545 0.000) 5.549 11.899 ( -0.062 1.026 0.000) 1.028 11.975 ( -1.271 -5.812 0.000) 5.950 12.002 ( -2.216 -6.877 0.000) 7.225 12.154 ( 0.598 -1.139 0.000) 1.286 12.241 ( -2.246 -3.073 0.000) 3.806 12.359 ( 0.531 -9.170 0.000) 9.186 12.370 ( 1.036 -8.840 0.000) 8.901 12.472 ( 1.296 -0.152 0.000) 1.305 12.573 ( 1.128 -4.673 0.000) 4.807 12.599 ( -2.429 0.088 0.000) 2.431 12.647 ( -0.373 -2.307 0.000) 2.337 13.210 ( 1.615 3.371 0.000) 3.737 13.284 ( -0.040 1.390 0.000) 1.390 13.318 ( 2.751 0.958 0.000) 2.913 13.477 ( -0.729 -4.061 0.000) 4.126 13.517 ( 1.407 -3.407 0.000) 3.686 13.548 ( 0.793 -2.809 0.000) 2.919 13.643 ( -1.268 -4.670 0.000) 4.839 13.670 ( -1.847 -9.992 0.000) 10.162 13.982 ( -0.086 3.624 0.000) 3.625 14.024 ( -1.713 -2.612 0.000) 3.123 14.120 ( 2.820 -7.436 0.000) 7.953 14.274 ( -1.653 -10.483 0.000) 10.613 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 13.626 15.107 0.000) 20.344 1.589 ( 7.430 10.384 0.000) 12.768 1.620 ( -11.405 10.387 0.000) 15.426 1.768 ( -11.569 7.842 0.000) 13.976 2.016 ( 5.433 2.422 0.000) 5.948 2.122 ( 10.497 10.038 0.000) 14.524 2.147 ( -2.606 9.383 0.000) 9.738 2.364 ( -7.971 7.618 0.000) 11.026 2.490 ( 9.538 -17.478 0.000) 19.911 2.532 ( 9.534 -6.957 0.000) 11.802 2.708 ( -3.989 -7.801 0.000) 8.761 2.730 ( -10.202 -14.237 0.000) 17.515 3.190 ( 6.785 8.461 0.000) 10.846 3.333 ( -5.609 10.974 0.000) 12.325 3.580 ( 3.284 0.676 0.000) 3.353 3.643 ( -4.042 5.103 0.000) 6.510 3.686 ( -2.733 9.858 0.000) 10.230 3.764 ( -9.063 11.542 0.000) 14.675 3.833 ( 4.093 -7.353 0.000) 8.415 3.941 ( -6.360 -7.733 0.000) 10.013 4.117 ( 14.296 3.006 0.000) 14.609 4.224 ( 8.602 -5.199 0.000) 10.051 4.312 ( -5.666 -2.547 0.000) 6.212 4.394 ( -8.388 -4.715 0.000) 9.622 4.511 ( 4.881 -0.893 0.000) 4.962 4.563 ( 8.572 -2.193 0.000) 8.848 4.681 ( -16.722 3.234 0.000) 17.032 4.808 ( -15.895 -0.796 0.000) 15.915 5.171 ( 0.153 27.258 0.000) 27.258 5.198 ( -2.296 25.192 0.000) 25.296 5.609 ( 3.079 25.795 0.000) 25.979 5.661 ( -2.112 25.710 0.000) 25.796 5.983 ( 0.301 -2.984 0.000) 2.999 5.989 ( -0.591 -1.120 0.000) 1.266 6.459 ( 4.020 -8.450 0.000) 9.357 6.479 ( 2.565 -8.269 0.000) 8.658 6.871 ( 19.521 7.112 0.000) 20.776 7.008 ( 10.600 5.232 0.000) 11.821 7.073 ( 0.826 11.309 0.000) 11.339 7.185 ( -13.373 5.165 0.000) 14.336 7.390 ( 4.152 -3.371 0.000) 5.348 7.521 ( -7.630 -6.058 0.000) 9.743 7.776 ( -0.415 -12.515 0.000) 12.522 7.785 ( -0.640 -13.195 0.000) 13.211 11.327 ( 2.465 0.471 0.000) 2.510 11.383 ( -3.548 1.071 0.000) 3.706 11.526 ( 2.781 -4.583 0.000) 5.361 11.568 ( -1.450 -2.400 0.000) 2.804 11.888 ( 0.961 -6.727 0.000) 6.795 11.900 ( 0.026 -3.376 0.000) 3.376 11.949 ( -1.162 -3.468 0.000) 3.657 11.956 ( -2.113 -4.578 0.000) 5.042 12.172 ( 1.354 -0.405 0.000) 1.414 12.202 ( -1.891 -0.917 0.000) 2.101 12.370 ( 0.644 -9.185 0.000) 9.208 12.378 ( -0.100 -9.267 0.000) 9.267 12.505 ( 2.233 0.083 0.000) 2.235 12.550 ( -2.663 0.169 0.000) 2.668 12.600 ( 1.647 -4.516 0.000) 4.807 12.629 ( -1.427 -3.763 0.000) 4.024 13.246 ( 1.985 3.088 0.000) 3.671 13.275 ( -1.054 2.524 0.000) 2.735 13.381 ( 3.802 1.387 0.000) 4.047 13.444 ( -2.731 0.918 0.000) 2.881 13.557 ( 2.385 -7.455 0.000) 7.827 13.567 ( 1.076 -3.200 0.000) 3.376 13.615 ( -1.383 -5.251 0.000) 5.430 13.627 ( -2.459 -9.864 0.000) 10.166 13.984 ( 0.363 1.841 0.000) 1.877 13.997 ( -1.129 -0.348 0.000) 1.181 14.176 ( 3.169 -9.157 0.000) 9.690 14.232 ( -2.795 -10.117 0.000) 10.496 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 -12.537 0.000) 12.537 1.468 ( 0.000 12.537 0.000) 12.537 1.892 ( 0.000 -0.375 0.000) 0.375 1.892 ( 0.000 0.375 0.000) 0.375 1.958 ( 0.000 -7.687 0.000) 7.687 1.958 ( 0.000 7.687 0.000) 7.687 2.102 ( 0.000 -8.375 0.000) 8.375 2.102 ( 0.000 8.375 0.000) 8.375 2.587 ( 0.000 -7.271 0.000) 7.271 2.587 ( 0.000 7.271 0.000) 7.271 2.821 ( 0.000 -4.375 0.000) 4.375 2.821 ( 0.000 4.375 0.000) 4.375 3.236 ( 0.000 -15.498 0.000) 15.498 3.236 ( 0.000 15.498 0.000) 15.498 3.562 ( 0.000 -6.586 0.000) 6.586 3.562 ( 0.000 6.586 0.000) 6.586 3.769 ( 0.000 -1.228 0.000) 1.228 3.769 ( 0.000 1.228 0.000) 1.228 3.919 ( 0.000 -0.918 0.000) 0.918 3.919 ( 0.000 0.918 0.000) 0.918 4.103 ( 0.000 -1.176 0.000) 1.176 4.103 ( 0.000 1.176 0.000) 1.176 4.425 ( 0.000 -0.692 0.000) 0.692 4.425 ( 0.000 0.692 0.000) 0.692 4.488 ( 0.000 -4.930 0.000) 4.930 4.488 ( 0.000 4.930 0.000) 4.930 5.436 ( 0.000 -0.189 0.000) 0.189 5.436 ( 0.000 0.189 0.000) 0.189 5.673 ( 0.000 -0.410 0.000) 0.410 5.673 ( 0.000 0.410 0.000) 0.410 5.775 ( 0.000 -19.822 0.000) 19.822 5.775 ( 0.000 19.822 0.000) 19.822 5.988 ( 0.000 -12.520 0.000) 12.520 5.988 ( 0.000 12.520 0.000) 12.520 6.041 ( 0.000 -10.647 0.000) 10.647 6.041 ( 0.000 10.647 0.000) 10.647 6.513 ( 0.000 -0.131 0.000) 0.131 6.513 ( 0.000 0.131 0.000) 0.131 7.239 ( 0.000 -6.725 0.000) 6.725 7.239 ( 0.000 6.725 0.000) 6.725 7.488 ( 0.000 -14.614 0.000) 14.614 7.488 ( 0.000 14.614 0.000) 14.614 7.692 ( 0.000 -6.711 0.000) 6.711 7.692 ( 0.000 6.711 0.000) 6.711 11.344 ( 0.000 -5.633 0.000) 5.633 11.344 ( 0.000 5.633 0.000) 5.633 11.554 ( 0.000 -3.937 0.000) 3.937 11.554 ( 0.000 3.937 0.000) 3.937 11.864 ( 0.000 -4.416 0.000) 4.416 11.864 ( 0.000 4.416 0.000) 4.416 11.944 ( 0.000 -2.171 0.000) 2.171 11.944 ( 0.000 2.171 0.000) 2.171 12.182 ( 0.000 -6.053 0.000) 6.053 12.182 ( 0.000 6.053 0.000) 6.053 12.242 ( 0.000 -2.599 0.000) 2.599 12.242 ( 0.000 2.599 0.000) 2.599 12.489 ( 0.000 -2.781 0.000) 2.781 12.489 ( 0.000 2.781 0.000) 2.781 12.630 ( 0.000 -0.257 0.000) 0.257 12.630 ( 0.000 0.257 0.000) 0.257 13.294 ( 0.000 -7.225 0.000) 7.225 13.294 ( 0.000 -0.368 0.000) 0.368 13.294 ( 0.000 0.368 0.000) 0.368 13.294 ( 0.000 7.225 0.000) 7.225 13.546 ( 0.000 -3.956 0.000) 3.956 13.546 ( 0.000 3.956 0.000) 3.956 13.577 ( 0.000 -3.669 0.000) 3.669 13.577 ( 0.000 3.669 0.000) 3.669 14.019 ( 0.000 -1.059 0.000) 1.059 14.019 ( 0.000 1.059 0.000) 1.059 14.107 ( 0.000 -8.120 0.000) 8.120 14.107 ( 0.000 8.120 0.000) 8.120 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.20 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 4.207 -11.073 0.000) 11.845 1.505 ( 4.207 11.073 0.000) 11.845 1.876 ( -2.831 -3.252 0.000) 4.311 1.876 ( -2.831 3.252 0.000) 4.311 2.015 ( 5.911 -10.074 0.000) 11.680 2.015 ( 5.911 10.074 0.000) 11.680 2.175 ( 8.281 -11.031 0.000) 13.793 2.175 ( 8.281 11.031 0.000) 13.793 2.585 ( -0.683 -8.063 0.000) 8.092 2.585 ( -0.683 8.063 0.000) 8.092 2.659 ( -14.213 -15.406 0.000) 20.961 2.659 ( -14.213 15.406 0.000) 20.961 3.299 ( 5.092 -15.534 0.000) 16.347 3.299 ( 5.092 15.534 0.000) 16.347 3.570 ( 0.746 -8.730 0.000) 8.762 3.570 ( 0.746 8.730 0.000) 8.762 3.862 ( -5.767 -0.966 0.000) 5.848 3.862 ( -5.767 0.966 0.000) 5.848 3.873 ( 9.000 -1.553 0.000) 9.133 3.873 ( 9.000 1.553 0.000) 9.133 4.068 ( -2.964 -2.625 0.000) 3.959 4.068 ( -2.964 2.625 0.000) 3.959 4.393 ( -3.216 -2.514 0.000) 4.082 4.393 ( -3.216 2.514 0.000) 4.082 4.478 ( -0.304 -3.286 0.000) 3.300 4.478 ( -0.304 3.286 0.000) 3.300 5.132 ( -22.436 -1.390 0.000) 22.479 5.132 ( -22.436 1.390 0.000) 22.479 5.704 ( -4.657 -17.618 0.000) 18.223 5.704 ( -4.657 17.618 0.000) 18.223 5.721 ( -0.747 -20.391 0.000) 20.404 5.721 ( -0.747 20.391 0.000) 20.404 6.084 ( 7.578 -17.585 0.000) 19.148 6.084 ( 7.578 17.585 0.000) 19.148 6.130 ( 6.333 -16.220 0.000) 17.412 6.130 ( 6.333 16.220 0.000) 17.412 6.676 ( 15.986 -5.964 0.000) 17.062 6.676 ( 15.986 5.964 0.000) 17.062 7.260 ( 1.691 -8.157 0.000) 8.331 7.260 ( 1.691 8.157 0.000) 8.331 7.495 ( 0.528 -14.469 0.000) 14.479 7.495 ( 0.528 14.469 0.000) 14.479 7.636 ( -5.764 -6.917 0.000) 9.004 7.636 ( -5.764 6.917 0.000) 9.004 11.359 ( 1.678 -6.058 0.000) 6.286 11.359 ( 1.678 6.058 0.000) 6.286 11.529 ( -2.606 -5.420 0.000) 6.014 11.529 ( -2.606 5.420 0.000) 6.014 11.864 ( 0.066 -4.492 0.000) 4.493 11.864 ( 0.066 4.492 0.000) 4.493 11.926 ( -1.704 -2.250 0.000) 2.823 11.926 ( -1.704 2.250 0.000) 2.823 12.194 ( 1.099 -5.920 0.000) 6.021 12.194 ( 1.099 5.920 0.000) 6.021 12.241 ( -0.162 -3.502 0.000) 3.506 12.241 ( -0.162 3.502 0.000) 3.506 12.500 ( 1.169 -2.723 0.000) 2.964 12.500 ( 1.169 2.723 0.000) 2.964 12.611 ( -1.849 -1.287 0.000) 2.253 12.611 ( -1.849 1.287 0.000) 2.253 13.309 ( 1.485 -7.241 0.000) 7.391 13.309 ( 1.485 7.241 0.000) 7.391 13.315 ( 1.968 -1.357 0.000) 2.391 13.315 ( 1.968 1.357 0.000) 2.391 13.539 ( -0.653 -2.930 0.000) 3.002 13.539 ( -0.653 2.930 0.000) 3.002 13.568 ( -0.930 -3.532 0.000) 3.653 13.568 ( -0.930 3.532 0.000) 3.653 14.024 ( 0.557 -2.501 0.000) 2.562 14.024 ( 0.557 2.501 0.000) 2.562 14.095 ( -1.193 -7.765 0.000) 7.856 14.095 ( -1.193 7.765 0.000) 7.856 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.40 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 8.198 -7.557 0.000) 11.150 1.622 ( 8.198 7.557 0.000) 11.150 1.776 ( -7.631 -5.181 0.000) 9.224 1.776 ( -7.631 5.181 0.000) 9.224 2.162 ( 9.958 -13.874 0.000) 17.078 2.162 ( 9.958 13.874 0.000) 17.078 2.350 ( 1.086 -10.457 0.000) 10.513 2.350 ( 1.086 10.457 0.000) 10.513 2.410 ( -3.803 -16.876 0.000) 17.299 2.410 ( -3.803 16.876 0.000) 17.299 2.536 ( -5.364 -9.328 0.000) 10.761 2.536 ( -5.364 9.328 0.000) 10.761 3.411 ( 7.391 -13.085 0.000) 15.028 3.411 ( 7.391 13.085 0.000) 15.028 3.548 ( -5.337 -10.842 0.000) 12.085 3.548 ( -5.337 10.842 0.000) 12.085 3.783 ( 0.740 -2.031 0.000) 2.162 3.783 ( 0.740 2.031 0.000) 2.162 3.882 ( -7.168 -1.684 0.000) 7.363 3.882 ( -7.168 1.684 0.000) 7.363 4.155 ( 10.898 -1.905 0.000) 11.063 4.155 ( 10.898 1.905 0.000) 11.063 4.313 ( -5.843 -2.710 0.000) 6.441 4.313 ( -5.843 2.710 0.000) 6.441 4.521 ( 6.401 -1.629 0.000) 6.605 4.521 ( 6.401 1.629 0.000) 6.605 4.748 ( -17.912 -3.589 0.000) 18.268 4.748 ( -17.912 3.589 0.000) 18.268 5.657 ( -0.326 -17.759 0.000) 17.762 5.657 ( -0.326 17.759 0.000) 17.762 5.681 ( -2.439 -19.913 0.000) 20.062 5.681 ( -2.439 19.913 0.000) 20.062 6.191 ( 3.546 -18.740 0.000) 19.073 6.191 ( 3.546 18.740 0.000) 19.073 6.208 ( 1.733 -18.865 0.000) 18.944 6.208 ( 1.733 18.865 0.000) 18.944 7.005 ( 17.521 -5.756 0.000) 18.442 7.005 ( 17.521 5.756 0.000) 18.442 7.242 ( -6.327 -3.406 0.000) 7.186 7.242 ( -6.327 3.406 0.000) 7.186 7.500 ( -0.003 -14.039 0.000) 14.039 7.500 ( -0.003 14.039 0.000) 14.039 7.524 ( -4.202 -10.151 0.000) 10.986 7.524 ( -4.202 10.151 0.000) 10.986 11.404 ( 3.105 -6.728 0.000) 7.410 11.404 ( 3.105 6.728 0.000) 7.410 11.468 ( -3.680 -6.712 0.000) 7.655 11.468 ( -3.680 6.712 0.000) 7.655 11.870 ( 0.726 -3.785 0.000) 3.854 11.870 ( 0.726 3.785 0.000) 3.854 11.893 ( -1.680 -2.679 0.000) 3.163 11.893 ( -1.680 2.679 0.000) 3.163 12.216 ( 1.187 -5.465 0.000) 5.592 12.216 ( 1.187 5.465 0.000) 5.592 12.233 ( -0.663 -4.697 0.000) 4.744 12.233 ( -0.663 4.697 0.000) 4.744 12.530 ( 2.005 -2.502 0.000) 3.206 12.530 ( 2.005 2.502 0.000) 3.206 12.571 ( -2.375 -2.064 0.000) 3.146 12.571 ( -2.375 2.064 0.000) 3.146 13.339 ( 1.419 -6.807 0.000) 6.954 13.339 ( 1.419 6.807 0.000) 6.954 13.346 ( 0.859 -4.420 0.000) 4.503 13.346 ( 0.859 4.420 0.000) 4.503 13.531 ( 0.097 -1.264 0.000) 1.268 13.531 ( 0.097 1.264 0.000) 1.268 13.546 ( -1.273 -2.948 0.000) 3.211 13.546 ( -1.273 2.948 0.000) 3.211 14.040 ( 1.246 -4.702 0.000) 4.864 14.040 ( 1.246 4.702 0.000) 4.864 14.068 ( -1.645 -6.616 0.000) 6.818 14.068 ( -1.645 6.616 0.000) 6.818 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 0.000 0.000 18.454) 18.454 0.550 ( 0.000 0.000 5.834) 5.834 0.566 ( 0.000 0.000 26.632) 26.632 0.666 ( 0.000 0.000 6.063) 6.063 0.766 ( 0.000 0.000 37.249) 37.249 1.830 ( 0.000 0.000 -7.328) 7.328 2.102 ( 0.000 0.000 0.938) 0.938 2.103 ( 0.000 0.000 -6.890) 6.890 2.202 ( 0.000 0.000 4.231) 4.231 2.330 ( 0.000 0.000 -4.653) 4.653 2.554 ( 0.000 0.000 0.324) 0.324 2.603 ( 0.000 0.000 -1.233) 1.233 2.879 ( 0.000 0.000 -3.939) 3.939 2.887 ( 0.000 0.000 2.112) 2.112 3.192 ( 0.000 0.000 10.521) 10.521 3.216 ( 0.000 0.000 2.336) 2.336 3.573 ( 0.000 0.000 -9.593) 9.593 3.670 ( 0.000 0.000 -9.761) 9.761 3.696 ( 0.000 0.000 -8.783) 8.783 4.058 ( 0.000 0.000 -4.026) 4.026 4.133 ( 0.000 0.000 4.577) 4.577 4.149 ( 0.000 0.000 8.131) 8.131 4.215 ( 0.000 0.000 -5.541) 5.541 4.365 ( 0.000 0.000 5.371) 5.371 4.386 ( 0.000 0.000 7.388) 7.388 4.635 ( 0.000 0.000 -0.928) 0.928 4.808 ( 0.000 0.000 2.016) 2.016 4.876 ( 0.000 0.000 4.701) 4.701 4.931 ( 0.000 0.000 4.452) 4.452 5.262 ( 0.000 0.000 -3.265) 3.265 5.414 ( 0.000 0.000 1.809) 1.809 5.607 ( 0.000 0.000 -0.448) 0.448 5.762 ( 0.000 0.000 -0.432) 0.432 5.774 ( 0.000 0.000 -9.959) 9.959 5.987 ( 0.000 0.000 0.927) 0.927 6.454 ( 0.000 0.000 0.851) 0.851 6.457 ( 0.000 0.000 1.472) 1.472 6.495 ( 0.000 0.000 0.626) 0.626 6.578 ( 0.000 0.000 4.380) 4.380 7.337 ( 0.000 0.000 -8.160) 8.160 7.589 ( 0.000 0.000 -0.226) 0.226 7.668 ( 0.000 0.000 -3.764) 3.764 8.147 ( 0.000 0.000 1.365) 1.365 8.188 ( 0.000 0.000 2.868) 2.868 11.567 ( 0.000 0.000 0.085) 0.085 11.586 ( 0.000 0.000 -0.802) 0.802 11.600 ( 0.000 0.000 -2.914) 2.914 11.600 ( 0.000 0.000 -0.106) 0.106 11.802 ( 0.000 0.000 4.211) 4.211 12.115 ( 0.000 0.000 0.755) 0.755 12.174 ( 0.000 0.000 0.623) 0.623 12.208 ( 0.000 0.000 0.199) 0.199 12.434 ( 0.000 0.000 0.834) 0.834 12.510 ( 0.000 0.000 -3.491) 3.491 12.585 ( 0.000 0.000 -0.509) 0.509 12.651 ( 0.000 0.000 1.351) 1.351 12.677 ( 0.000 0.000 -1.058) 1.058 12.709 ( 0.000 0.000 2.405) 2.405 12.756 ( 0.000 0.000 0.144) 0.144 12.770 ( 0.000 0.000 0.107) 0.107 13.049 ( 0.000 0.000 -0.911) 0.911 13.203 ( 0.000 0.000 -2.349) 2.349 13.380 ( 0.000 0.000 2.048) 2.048 13.437 ( 0.000 0.000 1.763) 1.763 13.675 ( 0.000 0.000 -0.534) 0.534 13.707 ( 0.000 0.000 -3.675) 3.675 13.714 ( 0.000 0.000 -0.886) 0.886 14.002 ( 0.000 0.000 -3.686) 3.686 14.303 ( 0.000 0.000 0.464) 0.464 14.434 ( 0.000 0.000 -1.341) 1.341 14.573 ( 0.000 0.000 2.807) 2.807 14.752 ( 0.000 0.000 0.230) 0.230 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 16.364 0.000 10.711) 19.558 0.437 ( 0.506 0.000 14.524) 14.533 0.538 ( -1.296 0.000 6.082) 6.219 0.745 ( 8.848 0.000 6.146) 10.773 1.349 ( 35.462 0.000 26.368) 44.191 1.674 ( -15.400 0.000 -4.676) 16.094 1.960 ( -24.503 0.000 -2.416) 24.622 2.130 ( 2.251 0.000 0.505) 2.307 2.169 ( 4.496 0.000 -3.801) 5.887 2.199 ( -0.203 0.000 3.289) 3.295 2.649 ( 5.000 0.000 -1.227) 5.149 2.778 ( -1.672 0.000 -0.538) 1.757 2.828 ( 14.949 0.000 -4.418) 15.588 3.016 ( 2.977 0.000 -3.145) 4.330 3.167 ( -5.441 0.000 1.533) 5.652 3.190 ( -1.046 0.000 7.569) 7.641 3.498 ( -1.845 0.000 -4.599) 4.956 3.637 ( -3.669 0.000 -5.628) 6.718 3.721 ( 3.873 0.000 -5.981) 7.125 3.888 ( -9.374 0.000 3.713) 10.082 4.011 ( -15.804 0.000 0.316) 15.807 4.079 ( -3.194 0.000 1.021) 3.353 4.338 ( 11.291 0.000 -0.158) 11.292 4.400 ( 4.044 0.000 3.345) 5.248 4.452 ( -2.126 0.000 3.014) 3.689 4.641 ( 0.059 0.000 -1.340) 1.341 4.682 ( -5.334 0.000 3.395) 6.323 4.762 ( -5.222 0.000 1.075) 5.332 4.939 ( -6.393 0.000 7.441) 9.810 5.358 ( -25.160 0.000 -2.371) 25.272 5.442 ( 5.045 0.000 1.630) 5.302 5.459 ( 4.465 0.000 1.502) 4.711 5.613 ( 0.432 0.000 -0.369) 0.569 5.618 ( -5.800 0.000 0.946) 5.877 6.227 ( 21.549 0.000 -3.744) 21.872 6.450 ( -0.329 0.000 0.927) 0.983 6.485 ( -1.066 0.000 0.793) 1.328 6.556 ( 5.072 0.000 -1.688) 5.345 6.777 ( 15.005 0.000 4.938) 15.797 7.276 ( -6.532 0.000 -5.942) 8.831 7.531 ( -1.339 0.000 -3.442) 3.693 7.802 ( 5.838 0.000 -4.397) 7.309 8.119 ( -2.675 0.000 0.660) 2.755 8.167 ( -1.885 0.000 2.126) 2.841 11.554 ( -1.019 0.000 -0.860) 1.334 11.570 ( 0.312 0.000 0.063) 0.318 11.597 ( -0.354 0.000 -0.093) 0.366 11.624 ( -0.155 0.000 -0.507) 0.531 11.834 ( 4.027 0.000 0.257) 4.035 12.120 ( -0.274 0.000 0.152) 0.313 12.177 ( 0.410 0.000 0.586) 0.715 12.205 ( -0.288 0.000 0.248) 0.380 12.442 ( 0.864 0.000 0.836) 1.203 12.478 ( -2.186 0.000 -2.319) 3.187 12.552 ( -2.597 0.000 0.253) 2.610 12.633 ( -3.971 0.000 1.734) 4.333 12.681 ( 2.341 0.000 0.561) 2.407 12.744 ( 2.193 0.000 0.062) 2.194 12.755 ( -0.209 0.000 0.107) 0.235 12.776 ( 0.412 0.000 0.089) 0.421 13.077 ( 2.975 0.000 -1.105) 3.173 13.206 ( 0.156 0.000 -2.028) 2.034 13.338 ( -3.161 0.000 2.970) 4.337 13.383 ( -3.074 0.000 4.155) 5.169 13.676 ( 0.080 0.000 -0.540) 0.546 13.708 ( -0.695 0.000 -0.822) 1.077 13.743 ( 3.315 0.000 -3.982) 5.181 13.974 ( -2.949 0.000 -3.778) 4.793 14.336 ( 2.083 0.000 -0.874) 2.259 14.424 ( -1.017 0.000 -0.295) 1.059 14.599 ( 2.434 0.000 1.785) 3.018 14.739 ( -1.418 0.000 0.195) 1.431 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 2.049 0.000 9.642) 9.857 0.503 ( -2.397 0.000 7.086) 7.481 0.903 ( 28.968 0.000 -2.780) 29.101 0.984 ( 16.693 0.000 3.379) 17.031 1.332 ( -20.206 0.000 -0.725) 20.219 1.425 ( -27.136 0.000 -1.134) 27.159 1.956 ( 22.633 0.000 13.013) 26.108 2.169 ( 1.826 0.000 1.011) 2.087 2.192 ( -0.712 0.000 1.981) 2.105 2.206 ( -4.001 0.000 2.840) 4.907 2.784 ( 9.241 0.000 -1.601) 9.379 2.819 ( 5.250 0.000 -1.013) 5.347 2.963 ( -6.515 0.000 -2.853) 7.112 3.011 ( -10.805 0.000 -1.785) 10.951 3.023 ( 7.645 0.000 -3.468) 8.395 3.137 ( -4.603 0.000 1.132) 4.740 3.531 ( 5.023 0.000 4.764) 6.923 3.646 ( 4.185 0.000 0.604) 4.229 3.712 ( -14.281 0.000 7.503) 16.132 3.747 ( -6.385 0.000 3.183) 7.135 3.909 ( 16.852 0.000 -6.435) 18.039 4.079 ( 0.494 0.000 -3.180) 3.218 4.324 ( -7.269 0.000 -0.015) 7.269 4.391 ( -8.838 0.000 -6.609) 11.035 4.513 ( 7.584 0.000 -1.949) 7.830 4.614 ( -3.391 0.000 -1.965) 3.920 4.659 ( 1.416 0.000 4.476) 4.695 4.717 ( 0.749 0.000 1.352) 1.546 4.791 ( -5.782 0.000 7.186) 9.224 4.857 ( -18.393 0.000 3.098) 18.652 5.550 ( 4.599 0.000 0.704) 4.653 5.569 ( 3.160 0.000 0.791) 3.258 5.592 ( 0.424 0.000 1.236) 1.306 5.607 ( -1.489 0.000 -0.032) 1.489 6.448 ( 0.265 0.000 1.085) 1.117 6.462 ( -1.199 0.000 1.061) 1.601 6.644 ( 20.225 0.000 -3.568) 20.538 6.722 ( 14.226 0.000 -0.452) 14.234 6.876 ( -4.882 0.000 -0.558) 4.913 7.060 ( -16.832 0.000 -2.829) 17.068 7.619 ( 10.304 0.000 -1.391) 10.398 7.799 ( -6.536 0.000 -1.029) 6.616 8.094 ( 0.838 0.000 -0.825) 1.176 8.128 ( -2.230 0.000 0.259) 2.245 11.558 ( 1.311 0.000 -0.018) 1.311 11.578 ( 0.525 0.000 0.009) 0.525 11.588 ( -0.551 0.000 -0.051) 0.554 11.595 ( -2.355 0.000 0.517) 2.411 11.944 ( 7.255 0.000 -3.663) 8.127 12.069 ( -5.456 0.000 -3.029) 6.240 12.187 ( 0.600 0.000 0.488) 0.774 12.198 ( -0.526 0.000 0.362) 0.638 12.466 ( 1.740 0.000 0.817) 1.922 12.476 ( 2.427 0.000 1.667) 2.945 12.505 ( -2.437 0.000 0.679) 2.530 12.549 ( -4.798 0.000 3.117) 5.722 12.721 ( 1.833 0.000 0.117) 1.836 12.746 ( -0.884 0.000 0.042) 0.885 12.772 ( 0.915 0.000 -0.090) 0.919 12.780 ( -0.040 0.000 -0.002) 0.040 13.143 ( 3.683 0.000 -1.360) 3.926 13.196 ( -1.724 0.000 -1.561) 2.326 13.307 ( 0.004 0.000 2.834) 2.834 13.332 ( -2.378 0.000 3.071) 3.884 13.680 ( 0.450 0.000 -0.580) 0.734 13.692 ( -0.835 0.000 -0.686) 1.080 13.818 ( 4.591 0.000 -3.986) 6.080 13.903 ( -4.526 0.000 -3.910) 5.981 14.369 ( 1.696 0.000 0.058) 1.697 14.400 ( -1.568 0.000 0.547) 1.661 14.650 ( 2.988 0.000 0.631) 3.054 14.702 ( -2.512 0.000 0.213) 2.521 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 9.945 23.997) 25.976 0.747 ( 0.000 18.713 14.428) 23.629 0.817 ( 0.000 19.708 6.150) 20.645 1.265 ( 0.000 32.482 -5.634) 32.967 1.494 ( 0.000 45.178 -2.543) 45.250 1.988 ( 0.000 -3.778 -0.655) 3.834 2.040 ( 0.000 3.733 -4.483) 5.834 2.201 ( 0.000 4.231 -4.212) 5.970 2.377 ( 0.000 7.536 -4.756) 8.911 2.428 ( 0.000 30.663 2.779) 30.789 2.548 ( 0.000 0.167 0.298) 0.342 2.690 ( 0.000 10.206 -0.411) 10.214 2.866 ( 0.000 -2.635 -1.364) 2.967 3.057 ( 0.000 13.887 0.948) 13.919 3.130 ( 0.000 -4.852 6.985) 8.505 3.327 ( 0.000 6.490 -0.259) 6.495 3.572 ( 0.000 0.977 -8.835) 8.888 3.643 ( 0.000 0.511 -8.850) 8.865 3.817 ( 0.000 10.347 -6.279) 12.103 4.102 ( 0.000 -4.732 7.272) 8.676 4.129 ( 0.000 -0.059 4.383) 4.383 4.206 ( 0.000 15.071 -3.227) 15.412 4.252 ( 0.000 5.019 -3.943) 6.383 4.353 ( 0.000 -0.623 5.735) 5.769 4.437 ( 0.000 5.925 7.100) 9.248 4.645 ( 0.000 -0.603 -1.161) 1.309 4.781 ( 0.000 -3.573 2.035) 4.112 4.799 ( 0.000 -8.404 8.327) 11.830 4.831 ( 0.000 -2.051 3.950) 4.451 4.983 ( 0.000 -14.650 0.142) 14.650 5.577 ( 0.000 -1.846 -1.158) 2.179 5.628 ( 0.000 2.872 -2.942) 4.111 5.766 ( 0.000 10.069 3.261) 10.584 5.843 ( 0.000 5.128 -7.565) 9.139 5.986 ( 0.000 1.234 2.586) 2.865 6.340 ( 0.000 -6.007 -0.844) 6.066 6.461 ( 0.000 0.772 0.974) 1.243 6.526 ( 0.000 0.090 5.583) 5.583 6.711 ( 0.000 10.432 0.515) 10.445 7.325 ( 0.000 -1.231 -7.894) 7.989 7.559 ( 0.000 -3.093 -0.185) 3.098 7.655 ( 0.000 -1.291 -3.570) 3.797 8.114 ( 0.000 -3.403 1.370) 3.668 8.153 ( 0.000 -3.471 2.870) 4.504 11.498 ( 0.000 -6.883 -1.050) 6.963 11.542 ( 0.000 -2.277 -1.229) 2.587 11.582 ( 0.000 -0.573 0.323) 0.657 11.606 ( 0.000 -2.422 -0.289) 2.439 11.821 ( 0.000 1.719 2.490) 3.025 12.076 ( 0.000 -3.656 0.767) 3.735 12.175 ( 0.000 -0.504 0.114) 0.517 12.181 ( 0.000 -2.844 0.249) 2.855 12.434 ( 0.000 -0.046 0.932) 0.933 12.440 ( 0.000 -7.202 -3.596) 8.050 12.575 ( 0.000 -4.665 0.771) 4.728 12.600 ( 0.000 -4.513 0.783) 4.581 12.627 ( 0.000 -2.727 1.117) 2.947 12.646 ( 0.000 -3.312 -1.073) 3.482 12.734 ( 0.000 -2.719 0.106) 2.721 12.747 ( 0.000 -2.338 0.102) 2.340 13.096 ( 0.000 3.286 -0.261) 3.296 13.227 ( 0.000 2.004 -1.713) 2.637 13.344 ( 0.000 -3.391 3.404) 4.805 13.411 ( 0.000 1.326 3.050) 3.326 13.658 ( 0.000 -1.774 -0.317) 1.803 13.687 ( 0.000 -1.916 -2.068) 2.819 13.722 ( 0.000 0.415 -2.792) 2.823 13.963 ( 0.000 -4.139 -3.735) 5.575 14.209 ( 0.000 -8.954 1.043) 9.014 14.353 ( 0.000 -7.585 -1.006) 7.652 14.480 ( 0.000 -9.001 2.837) 9.438 14.679 ( 0.000 -7.224 0.003) 7.224 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.20 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 9.698 15.333 7.775) 19.739 0.811 ( 1.211 20.618 2.634) 20.821 1.058 ( -1.290 29.628 -0.743) 29.665 1.304 ( 9.435 21.759 7.577) 24.898 1.578 ( 15.692 33.582 10.881) 38.632 1.897 ( -12.884 4.590 -3.862) 14.212 1.996 ( -11.989 2.862 -0.107) 12.326 2.154 ( 0.855 6.502 -1.154) 6.659 2.231 ( 0.729 4.735 -3.048) 5.678 2.362 ( -5.237 28.457 3.765) 29.179 2.723 ( 3.652 7.975 -0.446) 8.783 2.799 ( 10.113 0.280 -4.116) 10.922 2.851 ( 3.761 1.992 -1.653) 4.566 3.052 ( -0.783 -3.118 3.904) 5.057 3.176 ( -0.037 5.527 -1.182) 5.652 3.265 ( -5.521 5.694 1.403) 8.055 3.511 ( -1.572 2.546 -5.070) 5.887 3.725 ( 4.956 1.608 -5.372) 7.483 3.797 ( 0.078 12.812 -4.258) 13.501 3.946 ( -11.269 2.965 3.999) 12.320 4.057 ( -5.345 3.415 -2.058) 6.668 4.117 ( -9.956 10.426 6.058) 15.637 4.309 ( 5.817 -0.994 1.372) 6.058 4.391 ( 2.906 -0.930 -0.605) 3.111 4.504 ( 2.147 4.966 3.844) 6.637 4.603 ( -4.897 -4.636 -1.078) 6.829 4.661 ( -2.213 -3.631 3.113) 5.270 4.753 ( -4.091 1.252 0.014) 4.279 4.874 ( -2.279 -3.725 6.209) 7.591 5.105 ( 9.201 -14.845 1.968) 17.576 5.370 ( -22.993 -2.707 -3.010) 23.346 5.421 ( -15.246 -6.151 3.246) 16.757 5.763 ( 4.897 13.206 -0.374) 14.090 5.822 ( 2.639 10.753 0.775) 11.099 6.243 ( 20.617 1.705 -4.138) 21.097 6.415 ( 6.234 -3.122 -0.230) 6.976 6.465 ( 0.637 1.394 0.771) 1.715 6.678 ( 1.006 7.961 -0.394) 8.035 6.775 ( 13.882 0.403 4.659) 14.649 7.269 ( -6.292 -0.402 -5.173) 8.155 7.499 ( -1.620 -2.968 -2.832) 4.411 7.759 ( 5.213 -3.738 -2.952) 7.061 8.086 ( -2.672 -3.337 0.779) 4.345 8.132 ( -1.879 -3.559 2.133) 4.555 11.483 ( -0.578 -5.779 -0.573) 5.837 11.549 ( -0.562 -2.663 0.109) 2.724 11.590 ( 1.001 -1.951 -0.408) 2.230 11.604 ( -0.098 -1.155 -0.307) 1.199 11.845 ( 2.945 1.033 0.011) 3.121 12.082 ( -0.007 -3.480 0.234) 3.487 12.176 ( 0.075 -0.628 0.280) 0.691 12.178 ( -0.171 -2.921 0.308) 2.942 12.388 ( -2.998 -6.414 -1.832) 7.314 12.456 ( 0.775 -1.016 1.053) 1.656 12.520 ( -3.532 -5.232 0.911) 6.379 12.606 ( -2.107 -1.112 1.293) 2.710 12.636 ( 2.067 -4.213 -0.015) 4.693 12.668 ( 1.200 -5.084 -0.685) 5.268 12.739 ( 0.660 -2.534 0.109) 2.621 12.752 ( 0.477 -2.294 0.046) 2.344 13.119 ( 2.471 3.064 -0.330) 3.950 13.232 ( 0.427 2.238 -1.475) 2.714 13.321 ( -1.741 -1.505 3.169) 3.917 13.390 ( -2.120 1.479 2.734) 3.763 13.659 ( 0.134 -1.727 -0.355) 1.769 13.692 ( -0.218 -1.611 -0.884) 1.850 13.740 ( 2.435 -0.360 -4.044) 4.734 13.940 ( -2.481 -3.655 -3.859) 5.866 14.231 ( 1.887 -9.720 0.558) 9.917 14.335 ( -1.673 -8.516 0.175) 8.680 14.512 ( 2.922 -8.393 1.639) 9.037 14.665 ( -1.484 -7.282 0.003) 7.432 ======================= Grid point 52 (21/60) ======================= q-point: ( 0.40 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 4.580 20.697 2.113) 21.302 0.893 ( 3.668 19.819 -2.848) 20.356 1.003 ( 12.645 17.219 1.090) 21.391 1.379 ( -12.259 12.116 3.011) 17.497 1.584 ( -1.945 28.796 -0.975) 28.878 1.763 ( -13.207 27.041 -0.022) 30.094 1.987 ( 18.744 3.696 7.729) 20.609 2.200 ( -5.272 1.495 1.439) 5.665 2.240 ( 4.775 10.213 3.402) 11.777 2.311 ( -1.389 17.486 2.971) 17.791 2.815 ( 6.346 2.949 -1.839) 7.235 2.898 ( 3.207 4.875 -1.222) 5.962 2.953 ( 1.644 -3.131 -1.950) 4.038 3.043 ( 3.406 1.107 -0.978) 3.713 3.076 ( -8.152 6.370 -2.049) 10.546 3.159 ( -6.777 3.333 1.043) 7.624 3.529 ( 4.187 1.365 3.809) 5.823 3.690 ( -12.400 -0.123 6.883) 14.183 3.850 ( 3.610 18.221 0.379) 18.579 3.893 ( 6.548 6.966 -2.586) 9.904 3.973 ( 4.300 12.106 -0.627) 12.863 4.077 ( 2.000 1.758 -1.387) 3.002 4.266 ( -6.893 -4.463 -1.514) 8.350 4.359 ( -12.364 -2.347 -6.195) 14.027 4.525 ( 5.867 -0.552 0.681) 5.932 4.617 ( 3.957 -1.655 -2.129) 4.788 4.648 ( -3.878 -0.563 2.555) 4.678 4.676 ( -1.033 -3.307 0.960) 3.595 4.790 ( -3.183 1.405 5.514) 6.520 4.889 ( -17.310 3.965 2.068) 17.879 5.267 ( 5.554 -13.940 2.363) 15.191 5.329 ( -2.120 -12.533 1.405) 12.789 5.824 ( 1.790 10.803 -0.043) 10.950 5.842 ( -0.200 10.861 0.158) 10.864 6.478 ( 1.231 2.715 0.589) 3.038 6.489 ( 1.533 2.551 0.448) 3.010 6.670 ( 20.452 2.499 -2.775) 20.790 6.752 ( 10.578 3.458 -0.738) 11.153 6.888 ( -3.693 1.399 -0.090) 3.950 7.063 ( -16.163 0.599 -2.192) 16.322 7.580 ( 9.881 -3.933 -1.331) 10.718 7.755 ( -6.377 -4.291 -0.583) 7.708 8.060 ( 0.766 -3.434 -0.715) 3.590 8.094 ( -2.202 -3.536 0.297) 4.176 11.489 ( 1.244 -5.196 0.111) 5.344 11.522 ( -1.997 -4.449 0.564) 4.909 11.603 ( 0.257 -0.547 -0.292) 0.672 11.604 ( 0.020 0.120 -0.263) 0.290 11.931 ( 6.077 -1.105 -3.161) 6.939 12.040 ( -4.834 -2.643 -2.701) 6.136 12.176 ( 0.124 -1.910 0.265) 1.932 12.179 ( -0.035 -1.852 0.269) 1.872 12.370 ( 1.566 -7.231 1.447) 7.538 12.426 ( -3.757 -6.343 2.696) 7.850 12.507 ( 2.053 -0.105 0.861) 2.228 12.557 ( -3.015 0.067 1.474) 3.357 12.665 ( 1.071 -4.871 -0.238) 4.993 12.676 ( -0.177 -5.342 -0.241) 5.350 12.754 ( 0.697 -2.364 -0.114) 2.467 12.760 ( 0.129 -2.195 -0.126) 2.203 13.176 ( 3.273 2.417 -0.492) 4.098 13.225 ( -1.708 2.216 -0.830) 2.918 13.309 ( 0.892 0.488 2.294) 2.509 13.344 ( -2.520 1.515 2.186) 3.664 13.665 ( 0.579 -1.547 -0.429) 1.706 13.679 ( -0.918 -1.337 -0.565) 1.718 13.803 ( 4.043 -1.612 -4.217) 6.060 13.879 ( -3.966 -2.649 -4.071) 6.271 14.266 ( 1.895 -9.828 0.786) 10.039 14.301 ( -1.895 -9.442 0.989) 9.681 14.571 ( 3.279 -7.774 0.520) 8.453 14.626 ( -2.653 -7.451 0.086) 7.909 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 12.414 17.284) 21.281 1.173 ( 0.000 21.052 2.085) 21.155 1.220 ( 0.000 23.320 6.807) 24.293 1.643 ( 0.000 11.866 -6.885) 13.719 1.873 ( 0.000 1.326 -1.581) 2.064 2.024 ( 0.000 -2.193 -0.934) 2.384 2.164 ( 0.000 10.042 2.651) 10.386 2.285 ( 0.000 5.619 -3.739) 6.749 2.463 ( 0.000 2.893 -7.229) 7.787 2.583 ( 0.000 3.674 0.861) 3.774 2.750 ( 0.000 -9.221 5.535) 10.755 2.855 ( 0.000 -3.224 4.864) 5.835 3.114 ( 0.000 30.837 0.692) 30.845 3.259 ( 0.000 9.389 -6.879) 11.640 3.294 ( 0.000 10.181 -0.268) 10.185 3.428 ( 0.000 18.665 2.382) 18.816 3.622 ( 0.000 4.192 -9.471) 10.357 3.671 ( 0.000 1.478 -8.117) 8.250 3.948 ( 0.000 -4.803 4.526) 6.599 4.010 ( 0.000 0.834 -2.577) 2.709 4.109 ( 0.000 -3.393 4.332) 5.503 4.282 ( 0.000 -6.094 5.050) 7.915 4.454 ( 0.000 -12.226 -0.666) 12.244 4.457 ( 0.000 13.607 0.744) 13.628 4.590 ( 0.000 3.539 3.657) 5.089 4.608 ( 0.000 4.829 3.597) 6.022 4.710 ( 0.000 2.734 3.542) 4.475 4.759 ( 0.000 19.217 1.754) 19.297 4.941 ( 0.000 9.965 0.734) 9.992 4.977 ( 0.000 22.830 2.153) 22.931 5.555 ( 0.000 -0.289 -0.564) 0.634 5.614 ( 0.000 -1.178 -1.604) 1.990 5.915 ( 0.000 1.514 -4.739) 4.975 6.007 ( 0.000 10.058 0.292) 10.062 6.040 ( 0.000 4.675 0.785) 4.741 6.242 ( 0.000 -4.610 -1.730) 4.924 6.485 ( 0.000 1.892 2.191) 2.895 6.524 ( 0.000 -0.143 3.947) 3.949 6.914 ( 0.000 9.918 -0.061) 9.918 7.291 ( 0.000 -2.153 -7.109) 7.428 7.473 ( 0.000 -5.694 -0.285) 5.701 7.622 ( 0.000 -1.864 -3.089) 3.608 8.012 ( 0.000 -7.414 1.459) 7.556 8.056 ( 0.000 -6.651 2.890) 7.252 11.362 ( 0.000 -6.317 -0.226) 6.321 11.490 ( 0.000 -2.840 -2.276) 3.640 11.533 ( 0.000 -4.126 0.468) 4.152 11.566 ( 0.000 -0.756 0.943) 1.208 11.859 ( 0.000 2.137 0.826) 2.291 11.993 ( 0.000 -4.613 1.099) 4.743 12.103 ( 0.000 -5.005 0.321) 5.016 12.143 ( 0.000 -3.639 -0.340) 3.655 12.246 ( 0.000 -10.414 -2.420) 10.691 12.429 ( 0.000 -0.697 0.754) 1.027 12.435 ( 0.000 -7.897 2.670) 8.337 12.497 ( 0.000 -6.224 0.069) 6.224 12.548 ( 0.000 -6.602 -0.958) 6.671 12.619 ( 0.000 -0.233 -0.855) 0.886 12.660 ( 0.000 -4.489 0.266) 4.497 12.689 ( 0.000 -3.249 0.043) 3.249 13.149 ( 0.000 2.336 0.494) 2.388 13.263 ( 0.000 1.519 -0.637) 1.647 13.304 ( 0.000 -1.061 1.984) 2.250 13.455 ( 0.000 2.777 1.259) 3.049 13.610 ( 0.000 -3.074 0.279) 3.087 13.623 ( 0.000 -5.359 -2.082) 5.749 13.716 ( 0.000 -1.830 -2.939) 3.462 13.837 ( 0.000 -8.722 -3.616) 9.441 14.027 ( 0.000 -7.211 2.356) 7.586 14.180 ( 0.000 -9.163 -0.828) 9.200 14.270 ( 0.000 -11.238 2.418) 11.495 14.495 ( 0.000 -11.059 -0.505) 11.071 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 4.579 17.435 8.424) 19.898 1.201 ( 2.219 18.832 0.641) 18.973 1.455 ( 11.230 17.627 2.096) 21.005 1.610 ( 2.404 13.323 4.481) 14.261 1.906 ( 1.681 0.790 -1.712) 2.526 1.929 ( -7.890 1.591 -0.464) 8.062 2.140 ( -7.696 6.507 -2.653) 10.421 2.307 ( 1.146 5.680 -1.386) 5.957 2.333 ( 3.582 7.360 1.027) 8.249 2.703 ( 4.620 -6.216 1.455) 7.880 2.835 ( 4.492 -3.202 -1.974) 5.859 2.879 ( 1.903 -5.330 2.028) 6.011 3.105 ( -2.768 23.477 0.057) 23.639 3.125 ( -3.766 23.477 1.084) 23.802 3.288 ( -3.282 6.832 -0.009) 7.580 3.423 ( -2.482 17.259 0.585) 17.447 3.608 ( -1.081 6.713 -5.328) 8.638 3.754 ( 7.254 1.254 -6.768) 10.000 3.908 ( -7.537 -3.973 3.488) 9.206 3.910 ( -2.898 -0.772 -2.160) 3.696 4.201 ( 7.465 -1.169 3.324) 8.255 4.219 ( -6.539 -6.589 0.155) 9.284 4.429 ( 1.118 4.275 0.351) 4.432 4.496 ( -4.893 5.931 -0.822) 7.732 4.530 ( -5.768 5.649 3.059) 8.634 4.558 ( -0.514 4.450 3.924) 5.955 4.624 ( -0.268 3.734 5.557) 6.701 4.822 ( -3.026 11.444 -0.868) 11.869 4.912 ( -2.487 8.049 0.032) 8.425 5.053 ( 6.339 16.738 2.805) 18.117 5.252 ( -14.362 -5.413 -1.397) 15.412 5.436 ( -23.050 5.213 0.411) 23.636 5.936 ( 5.170 5.076 -0.163) 7.247 6.002 ( 0.123 6.083 1.071) 6.178 6.295 ( 18.322 3.318 -4.474) 19.150 6.381 ( 11.309 -1.063 -1.143) 11.416 6.495 ( 3.774 1.594 0.849) 4.184 6.747 ( 15.030 0.761 4.512) 15.711 6.879 ( -1.609 8.763 -0.513) 8.924 7.268 ( -3.780 0.300 -4.559) 5.930 7.425 ( -2.709 -4.455 -1.576) 5.447 7.671 ( 2.870 -5.228 -2.658) 6.530 7.988 ( -2.525 -7.000 0.894) 7.495 8.029 ( -2.180 -7.182 2.237) 7.832 11.363 ( 0.380 -5.759 -0.017) 5.771 11.482 ( -2.268 -3.575 0.054) 4.234 11.531 ( 1.776 -3.439 -1.276) 4.076 11.584 ( 0.945 -1.055 0.177) 1.427 11.869 ( 1.235 1.399 -0.264) 1.885 12.004 ( 0.926 -4.338 1.027) 4.553 12.090 ( -1.423 -6.156 0.118) 6.320 12.135 ( -0.962 -4.836 -0.624) 4.970 12.226 ( -1.175 -7.706 -1.045) 7.865 12.375 ( -4.549 -7.026 2.891) 8.855 12.449 ( 1.665 -1.423 0.602) 2.271 12.526 ( 1.145 -7.361 -0.797) 7.492 12.550 ( 0.453 -5.676 -0.366) 5.706 12.607 ( -1.334 -0.850 0.228) 1.598 12.667 ( 0.852 -4.626 0.030) 4.704 12.696 ( 0.536 -3.198 -0.202) 3.249 13.168 ( 1.948 2.090 0.472) 2.896 13.270 ( 0.170 1.206 -0.244) 1.242 13.304 ( 0.617 0.192 1.516) 1.648 13.436 ( -1.871 2.944 1.052) 3.643 13.612 ( 0.358 -2.969 0.060) 2.991 13.639 ( 1.114 -4.474 -1.288) 4.787 13.714 ( 0.103 -3.119 -3.526) 4.709 13.824 ( -1.413 -8.414 -3.701) 9.299 14.035 ( 0.945 -7.837 2.187) 8.192 14.145 ( -2.735 -9.381 0.508) 9.784 14.312 ( 3.524 -11.090 1.143) 11.693 14.481 ( -1.589 -11.086 -0.437) 11.208 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 14.572 13.405 1.347) 19.846 1.255 ( 2.193 17.598 -2.360) 17.891 1.406 ( -4.427 18.510 1.094) 19.063 1.551 ( -16.285 10.926 2.017) 19.714 1.961 ( 5.434 8.848 1.547) 10.498 1.980 ( 6.651 4.882 3.546) 8.980 2.055 ( 3.627 1.600 -1.147) 4.126 2.247 ( -7.425 3.783 0.098) 8.333 2.532 ( 12.589 5.924 -0.549) 13.924 2.729 ( -7.814 4.436 -3.425) 9.616 2.813 ( 4.817 -7.813 2.411) 9.490 2.913 ( -2.436 0.002 0.861) 2.584 3.083 ( 2.459 14.374 0.544) 14.593 3.141 ( -0.128 4.597 2.490) 5.230 3.238 ( 0.368 24.696 0.821) 24.712 3.330 ( -6.675 19.194 1.247) 20.360 3.593 ( 1.908 4.710 3.226) 6.019 3.712 ( -9.608 2.450 6.224) 11.707 3.935 ( 4.656 -3.819 -5.310) 8.028 3.981 ( 14.924 2.063 -3.974) 15.581 4.069 ( -7.743 -7.616 -3.972) 11.564 4.314 ( -13.098 1.605 -4.807) 14.044 4.333 ( 3.988 3.149 2.447) 5.640 4.412 ( -5.718 7.183 1.641) 9.327 4.512 ( 5.576 10.646 1.128) 12.070 4.574 ( 0.879 1.737 1.148) 2.260 4.620 ( -0.692 3.090 1.989) 3.740 4.669 ( -7.655 1.914 2.711) 8.343 4.875 ( -0.037 6.012 0.035) 6.012 4.987 ( -13.176 1.517 -1.003) 13.301 5.163 ( 4.980 10.388 2.062) 11.703 5.225 ( -2.642 9.474 2.055) 10.048 5.970 ( 0.922 4.138 -0.266) 4.248 5.992 ( -1.328 4.406 0.525) 4.631 6.516 ( 3.633 0.052 -0.931) 3.751 6.534 ( 3.769 0.853 -0.345) 3.879 6.740 ( 20.435 5.020 -1.369) 21.087 6.860 ( 5.542 7.514 -1.162) 9.408 6.940 ( -0.558 4.357 0.962) 4.497 7.097 ( -14.737 3.234 -0.908) 15.114 7.477 ( 8.854 -6.534 -1.538) 11.111 7.647 ( -6.611 -6.653 -0.543) 9.395 7.959 ( 0.432 -7.286 -0.424) 7.311 7.989 ( -2.169 -7.475 0.389) 7.793 11.383 ( 1.912 -5.010 0.380) 5.376 11.430 ( -2.959 -4.360 0.652) 5.309 11.570 ( 1.843 -2.508 -1.263) 3.358 11.590 ( -0.328 -1.373 -0.558) 1.518 11.912 ( 3.468 -0.886 -2.135) 4.167 11.985 ( -3.690 -2.745 -2.118) 5.063 12.080 ( 1.260 -8.040 1.250) 8.233 12.110 ( -1.576 -6.450 0.174) 6.642 12.233 ( 1.955 -5.135 1.645) 5.736 12.291 ( -4.186 -6.073 3.021) 7.970 12.485 ( 2.196 -2.583 -0.091) 3.391 12.521 ( -1.374 -5.418 -1.188) 5.715 12.564 ( 0.756 -4.981 0.522) 5.065 12.580 ( -1.217 -3.002 1.098) 3.420 12.687 ( 1.073 -4.355 -0.229) 4.492 12.700 ( -0.268 -3.760 -0.354) 3.787 13.212 ( 2.537 1.436 0.439) 2.948 13.253 ( -1.796 0.771 0.467) 2.009 13.339 ( 2.756 2.440 0.646) 3.737 13.392 ( -2.786 3.094 0.732) 4.227 13.624 ( 0.906 -2.577 -0.097) 2.733 13.642 ( -0.787 -2.558 -0.303) 2.694 13.737 ( 2.391 -6.227 -4.216) 7.891 13.786 ( -2.609 -7.574 -3.940) 8.927 14.060 ( 1.688 -8.810 1.874) 9.164 14.097 ( -2.343 -9.306 1.433) 9.703 14.379 ( 3.582 -11.143 0.265) 11.708 14.439 ( -2.843 -11.139 -0.206) 11.498 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 17.277 9.772) 19.849 1.485 ( 0.000 11.397 2.072) 11.584 1.675 ( 0.000 19.969 0.350) 19.972 1.814 ( 0.000 6.422 -2.038) 6.738 1.899 ( 0.000 0.887 -0.286) 0.932 1.974 ( 0.000 -3.419 -2.486) 4.227 2.223 ( 0.000 -0.098 0.888) 0.893 2.366 ( 0.000 -12.798 7.078) 14.624 2.394 ( 0.000 5.816 -3.190) 6.633 2.658 ( 0.000 -0.373 -3.122) 3.145 2.682 ( 0.000 6.143 0.083) 6.143 2.739 ( 0.000 -3.403 -1.093) 3.574 3.214 ( 0.000 -4.021 0.564) 4.060 3.413 ( 0.000 5.906 -1.629) 6.126 3.555 ( 0.000 8.742 -6.292) 10.771 3.645 ( 0.000 -1.772 -6.543) 6.779 3.658 ( 0.000 -10.931 0.499) 10.942 3.747 ( 0.000 -3.876 1.116) 4.033 3.878 ( 0.000 6.867 3.186) 7.570 3.940 ( 0.000 -2.853 1.975) 3.470 4.043 ( 0.000 1.911 -3.169) 3.700 4.167 ( 0.000 -3.000 1.642) 3.420 4.405 ( 0.000 3.561 2.807) 4.535 4.517 ( 0.000 -2.893 3.993) 4.931 4.556 ( 0.000 -3.257 5.837) 6.684 4.581 ( 0.000 -1.491 2.217) 2.672 5.141 ( 0.000 32.111 2.170) 32.184 5.263 ( 0.000 25.782 -0.466) 25.786 5.295 ( 0.000 22.040 2.667) 22.201 5.553 ( 0.000 21.307 -0.474) 21.312 5.580 ( 0.000 11.365 1.702) 11.491 5.600 ( 0.000 0.044 -2.416) 2.416 5.894 ( 0.000 -3.182 -3.607) 4.810 6.083 ( 0.000 -0.622 -3.822) 3.872 6.122 ( 0.000 -9.214 -1.550) 9.343 6.143 ( 0.000 1.418 0.124) 1.423 6.520 ( 0.000 -0.140 1.979) 1.984 6.536 ( 0.000 2.507 4.254) 4.938 7.081 ( 0.000 7.430 -1.094) 7.510 7.258 ( 0.000 -0.249 -5.387) 5.393 7.361 ( 0.000 -4.399 -0.877) 4.486 7.594 ( 0.000 -0.951 -2.705) 2.867 7.819 ( 0.000 -12.103 2.197) 12.301 7.898 ( 0.000 -9.413 2.841) 9.832 11.289 ( 0.000 -0.518 0.205) 0.557 11.433 ( 0.000 -3.592 -1.816) 4.024 11.490 ( 0.000 0.593 0.252) 0.645 11.566 ( 0.000 0.763 0.238) 0.799 11.894 ( 0.000 -5.318 0.977) 5.407 11.901 ( 0.000 2.128 0.135) 2.132 11.993 ( 0.000 -6.262 0.476) 6.280 12.013 ( 0.000 -6.037 -0.926) 6.107 12.148 ( 0.000 -1.441 0.066) 1.442 12.288 ( 0.000 -6.232 1.585) 6.430 12.343 ( 0.000 -9.450 -1.078) 9.511 12.352 ( 0.000 -7.649 -0.091) 7.649 12.469 ( 0.000 -0.113 0.925) 0.931 12.564 ( 0.000 -4.365 0.192) 4.369 12.622 ( 0.000 -0.181 -0.673) 0.697 12.640 ( 0.000 -1.627 -0.375) 1.669 13.200 ( 0.000 3.337 0.561) 3.384 13.284 ( 0.000 0.744 0.055) 0.746 13.296 ( 0.000 0.044 0.465) 0.467 13.462 ( 0.000 -10.127 -1.454) 10.231 13.509 ( 0.000 2.429 0.166) 2.434 13.554 ( 0.000 -1.678 1.163) 2.042 13.642 ( 0.000 -5.439 -1.346) 5.603 13.674 ( 0.000 -6.810 -1.059) 6.891 13.990 ( 0.000 2.732 0.494) 2.777 14.043 ( 0.000 -4.331 -0.571) 4.369 14.094 ( 0.000 -6.405 1.015) 6.485 14.280 ( 0.000 -10.670 -0.895) 10.707 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.20 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 4.596 17.956 7.084) 19.843 1.507 ( 2.269 11.656 1.235) 11.939 1.769 ( -1.616 10.892 -1.081) 11.064 1.835 ( 10.117 10.420 1.330) 14.584 1.906 ( -2.089 -1.241 -1.546) 2.879 1.960 ( 2.804 3.771 0.923) 4.789 2.245 ( -2.197 4.949 -4.257) 6.888 2.327 ( -0.315 -3.869 -0.563) 3.923 2.439 ( 2.336 0.448 2.458) 3.420 2.505 ( -3.269 -4.195 6.488) 8.389 2.703 ( -1.612 -8.466 -3.333) 9.240 2.833 ( 2.891 -2.052 -2.665) 4.436 3.171 ( -1.677 -0.073 2.733) 3.207 3.386 ( -2.067 8.559 -0.713) 8.834 3.578 ( 0.398 3.392 2.269) 4.100 3.669 ( 4.923 -4.235 -9.382) 11.410 3.729 ( 0.918 2.777 -2.842) 4.078 3.758 ( 1.640 -1.137 2.412) 3.130 3.870 ( 0.622 5.333 0.897) 5.443 3.918 ( -1.692 1.947 0.375) 2.607 4.004 ( -3.292 -3.815 -1.940) 5.400 4.153 ( -0.450 -3.698 1.633) 4.067 4.416 ( 0.318 0.572 0.609) 0.894 4.452 ( -6.071 -2.456 3.943) 7.645 4.539 ( -0.607 -2.376 4.025) 4.713 4.575 ( -0.941 -2.673 4.311) 5.160 5.026 ( -14.845 15.392 -1.411) 21.431 5.123 ( -19.452 8.049 2.881) 21.248 5.225 ( -7.250 20.553 -0.644) 21.804 5.263 ( -3.249 21.141 0.762) 21.402 5.573 ( 0.759 28.413 0.501) 28.427 5.672 ( -2.845 18.642 -3.238) 19.134 5.955 ( 4.737 -3.510 0.764) 5.945 6.025 ( -1.590 -3.388 0.643) 3.798 6.293 ( 12.333 -6.443 -3.791) 14.422 6.334 ( 11.124 -5.047 -1.273) 12.281 6.552 ( 10.739 5.467 0.714) 12.072 6.770 ( 16.883 0.434 4.592) 17.502 7.053 ( -1.129 9.485 -1.928) 9.744 7.276 ( 0.282 1.120 -4.091) 4.251 7.357 ( -1.559 -1.849 -0.408) 2.452 7.575 ( -1.689 -3.750 -3.006) 5.095 7.802 ( -1.916 -12.340 1.259) 12.551 7.856 ( -3.880 -10.400 2.522) 11.383 11.298 ( 1.082 -0.176 0.310) 1.139 11.443 ( -0.921 -0.949 -0.949) 1.628 11.469 ( 0.105 -2.150 -0.267) 2.169 11.572 ( 0.050 -0.390 -0.386) 0.551 11.886 ( -0.508 -2.405 0.247) 2.470 11.907 ( 0.458 -2.591 1.043) 2.831 11.974 ( -1.967 -4.589 -0.383) 5.007 12.000 ( -1.253 -6.476 0.092) 6.596 12.156 ( 0.832 -1.076 0.275) 1.387 12.258 ( -2.416 -4.272 1.470) 5.123 12.352 ( 0.615 -9.755 -0.817) 9.809 12.364 ( 0.792 -7.920 -0.462) 7.973 12.482 ( 1.351 -0.264 0.980) 1.690 12.574 ( 1.031 -4.351 0.112) 4.473 12.598 ( -1.997 -0.248 -0.076) 2.013 12.641 ( -0.341 -2.374 -0.538) 2.457 13.214 ( 1.490 3.141 0.433) 3.503 13.286 ( -0.072 1.054 0.182) 1.072 13.319 ( 2.573 0.659 0.153) 2.661 13.463 ( -0.318 -6.208 -1.335) 6.358 13.515 ( 0.971 -1.060 -0.023) 1.438 13.558 ( 0.447 -2.287 0.865) 2.486 13.631 ( -1.148 -5.244 -1.233) 5.508 13.655 ( -1.850 -6.972 -1.058) 7.291 13.988 ( -0.096 2.227 0.495) 2.284 14.024 ( -1.436 -2.886 -0.044) 3.224 14.124 ( 2.537 -7.750 0.468) 8.168 14.266 ( -1.517 -10.569 -0.767) 10.705 ======================= Grid point 62 (27/60) ======================= q-point: ( 0.40 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 10.395 15.265 2.132) 18.591 1.543 ( -1.272 12.291 -2.201) 12.552 1.685 ( -2.797 9.300 4.457) 10.685 1.768 ( -8.718 7.453 0.557) 11.483 2.001 ( 5.866 2.629 -1.068) 6.516 2.110 ( -5.877 7.241 -1.921) 9.521 2.168 ( 13.020 10.295 2.831) 16.839 2.354 ( -5.251 6.816 -0.839) 8.645 2.463 ( 6.891 -9.321 -1.793) 11.730 2.562 ( 0.581 -12.988 0.996) 13.039 2.668 ( 1.772 -9.884 0.594) 10.059 2.786 ( -6.911 -11.041 3.102) 13.390 3.210 ( 5.919 8.183 1.312) 10.184 3.336 ( -5.147 10.533 -0.134) 11.724 3.620 ( 3.468 2.954 2.786) 5.340 3.668 ( -0.665 2.198 2.083) 3.101 3.722 ( -1.679 9.490 1.273) 9.721 3.792 ( 3.905 -6.177 -1.803) 7.527 3.801 ( -6.383 8.261 2.399) 10.712 3.906 ( -6.913 -4.912 -3.087) 9.025 4.061 ( 13.657 4.033 -3.967) 14.782 4.215 ( 6.665 -7.308 -1.874) 10.067 4.312 ( -9.378 -0.707 -0.580) 9.423 4.366 ( -6.984 -3.671 -1.657) 8.062 4.567 ( 1.791 -1.701 4.388) 5.035 4.592 ( 6.725 -2.259 3.055) 7.724 4.691 ( -13.893 2.484 1.632) 14.207 4.800 ( -15.283 -1.790 -0.157) 15.389 5.181 ( 0.548 27.993 0.993) 28.016 5.212 ( -2.486 25.006 1.223) 25.159 5.602 ( 2.412 24.993 -0.939) 25.127 5.644 ( -1.636 24.259 -1.746) 24.377 5.986 ( 1.087 -1.235 0.321) 1.676 6.009 ( -1.268 -1.561 1.459) 2.484 6.442 ( 4.788 -8.471 -1.675) 9.874 6.471 ( 2.492 -8.383 -0.834) 8.786 6.863 ( 19.180 7.437 -0.661) 20.582 7.023 ( 8.467 7.619 1.186) 11.451 7.071 ( 0.362 9.254 -0.285) 9.266 7.191 ( -11.427 6.153 0.548) 12.990 7.351 ( 5.915 -4.302 -2.644) 7.778 7.511 ( -7.157 -6.571 -1.368) 9.812 7.767 ( -0.288 -12.820 -0.250) 12.826 7.795 ( -2.519 -12.741 0.586) 13.001 11.332 ( 2.553 0.420 0.498) 2.635 11.389 ( -3.454 0.854 0.505) 3.594 11.510 ( 2.872 -4.065 -1.416) 5.175 11.556 ( -1.833 -2.595 -1.106) 3.364 11.885 ( 0.639 -2.543 -0.255) 2.634 11.907 ( -1.114 -5.141 0.236) 5.266 11.948 ( 0.244 -2.957 0.532) 3.015 11.972 ( -1.711 -5.979 1.143) 6.323 12.179 ( 1.634 -0.878 0.671) 1.973 12.214 ( -2.215 -1.904 1.144) 3.137 12.364 ( 0.576 -9.124 -0.707) 9.170 12.370 ( -0.070 -8.613 -0.738) 8.644 12.515 ( 2.106 -0.319 0.897) 2.311 12.556 ( -2.359 -0.220 0.509) 2.424 12.599 ( 1.496 -4.319 -0.040) 4.571 12.625 ( -1.258 -3.633 -0.331) 3.859 13.248 ( 1.898 2.738 0.221) 3.339 13.276 ( -1.073 2.083 0.139) 2.347 13.379 ( 3.574 0.868 -0.230) 3.685 13.437 ( -2.482 -0.379 -0.682) 2.602 13.549 ( 2.369 -6.164 -0.697) 6.640 13.571 ( 0.708 -3.270 0.312) 3.360 13.604 ( -1.481 -5.657 -1.153) 5.960 13.614 ( -2.235 -6.236 -0.809) 6.673 13.989 ( 0.300 0.870 0.450) 1.024 14.001 ( -0.987 -0.926 0.291) 1.384 14.176 ( 2.936 -9.273 0.005) 9.726 14.227 ( -2.574 -10.175 -0.427) 10.504 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 -10.086 4.639) 11.101 1.525 ( 0.000 10.086 4.639) 11.101 1.879 ( 0.000 -0.553 -1.057) 1.193 1.879 ( 0.000 0.553 -1.057) 1.193 1.904 ( 0.000 -0.769 -4.168) 4.239 1.904 ( 0.000 0.769 -4.168) 4.239 2.213 ( 0.000 -1.033 9.595) 9.651 2.213 ( 0.000 1.033 9.595) 9.651 2.532 ( 0.000 -8.260 -4.549) 9.430 2.532 ( 0.000 8.260 -4.549) 9.430 2.776 ( 0.000 -1.280 -4.005) 4.205 2.776 ( 0.000 1.280 -4.005) 4.205 3.281 ( 0.000 -14.288 3.929) 14.818 3.281 ( 0.000 14.288 3.929) 14.818 3.554 ( 0.000 -6.041 -1.931) 6.343 3.554 ( 0.000 6.041 -1.931) 6.343 3.658 ( 0.000 -3.776 -5.650) 6.796 3.658 ( 0.000 3.776 -5.650) 6.796 3.959 ( 0.000 -0.531 2.335) 2.395 3.959 ( 0.000 0.531 2.335) 2.395 4.103 ( 0.000 -3.833 -0.942) 3.947 4.103 ( 0.000 3.833 -0.942) 3.947 4.472 ( 0.000 -2.097 3.488) 4.070 4.472 ( 0.000 2.097 3.488) 4.070 4.540 ( 0.000 -1.859 4.586) 4.949 4.540 ( 0.000 1.859 4.586) 4.949 5.486 ( 0.000 -1.792 3.661) 4.076 5.486 ( 0.000 1.792 3.661) 4.076 5.657 ( 0.000 -2.565 -0.780) 2.680 5.657 ( 0.000 2.565 -0.780) 2.680 5.768 ( 0.000 -20.269 -1.264) 20.308 5.768 ( 0.000 20.269 -1.264) 20.308 5.934 ( 0.000 -12.729 -4.660) 13.555 5.934 ( 0.000 12.729 -4.660) 13.555 6.045 ( 0.000 -10.947 0.032) 10.947 6.045 ( 0.000 10.947 0.032) 10.947 6.533 ( 0.000 -1.701 2.343) 2.895 6.533 ( 0.000 1.701 2.343) 2.895 7.208 ( 0.000 -5.688 -3.036) 6.448 7.208 ( 0.000 5.688 -3.036) 6.448 7.459 ( 0.000 -13.257 -1.525) 13.344 7.459 ( 0.000 13.257 -1.525) 13.344 7.731 ( 0.000 -5.798 2.628) 6.365 7.731 ( 0.000 5.798 2.628) 6.365 11.341 ( 0.000 -5.039 -0.193) 5.042 11.341 ( 0.000 5.039 -0.193) 5.042 11.548 ( 0.000 -3.627 -0.576) 3.673 11.548 ( 0.000 3.627 -0.576) 3.673 11.871 ( 0.000 -4.126 0.658) 4.178 11.871 ( 0.000 4.126 0.658) 4.178 11.946 ( 0.000 -1.993 0.134) 1.998 11.946 ( 0.000 1.993 0.134) 1.998 12.179 ( 0.000 -5.531 -0.315) 5.540 12.179 ( 0.000 5.531 -0.315) 5.540 12.244 ( 0.000 -2.197 0.259) 2.212 12.244 ( 0.000 2.197 0.259) 2.212 12.496 ( 0.000 -2.552 0.635) 2.630 12.496 ( 0.000 2.552 0.635) 2.630 12.623 ( 0.000 -0.348 -0.698) 0.780 12.623 ( 0.000 0.348 -0.698) 0.780 13.288 ( 0.000 -3.520 -0.244) 3.529 13.288 ( 0.000 3.520 -0.244) 3.529 13.301 ( 0.000 -2.900 0.221) 2.908 13.301 ( 0.000 2.900 0.221) 2.908 13.540 ( 0.000 -3.118 -0.372) 3.140 13.540 ( 0.000 3.118 -0.372) 3.140 13.587 ( 0.000 -3.450 0.802) 3.542 13.587 ( 0.000 3.450 0.802) 3.542 14.016 ( 0.000 -1.213 -0.280) 1.245 14.016 ( 0.000 1.213 -0.280) 1.245 14.100 ( 0.000 -7.608 -0.623) 7.634 14.100 ( 0.000 7.608 -0.623) 7.634 ======================= Grid point 67 (29/60) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 2.975 -9.420 3.792) 10.581 1.551 ( 2.975 9.420 3.792) 10.581 1.860 ( -3.067 -2.825 -1.628) 4.476 1.860 ( -3.067 2.825 -1.628) 4.476 1.992 ( 9.270 -6.464 -1.684) 11.426 1.992 ( 9.270 6.464 -1.684) 11.426 2.250 ( 4.133 -3.732 6.900) 8.867 2.250 ( 4.133 3.732 6.900) 8.867 2.489 ( -4.819 -8.831 -5.998) 11.713 2.489 ( -4.819 8.831 -5.998) 11.713 2.700 ( -6.850 -10.241 1.544) 12.417 2.700 ( -6.850 10.241 1.544) 12.417 3.314 ( 4.242 -14.170 1.012) 14.826 3.314 ( 4.242 14.170 1.012) 14.826 3.574 ( 0.389 -7.877 0.278) 7.892 3.574 ( 0.389 7.877 0.278) 7.892 3.734 ( 6.456 -1.450 -6.404) 9.208 3.734 ( 6.456 1.450 -6.404) 9.208 3.942 ( -0.436 -0.742 2.511) 2.654 3.942 ( -0.436 0.742 2.511) 2.654 4.065 ( -3.736 -5.185 -0.780) 6.438 4.065 ( -3.736 5.185 -0.780) 6.438 4.429 ( -4.302 -0.922 2.627) 5.124 4.429 ( -4.302 0.922 2.627) 5.124 4.530 ( -0.563 -1.757 4.635) 4.989 4.530 ( -0.563 1.757 4.635) 4.989 5.128 ( -24.026 -1.440 -0.378) 24.072 5.128 ( -24.026 1.440 -0.378) 24.072 5.692 ( -3.407 -16.770 -0.635) 17.124 5.692 ( -3.407 16.770 -0.635) 17.124 5.750 ( -2.248 -17.872 1.974) 18.121 5.750 ( -2.248 17.872 1.974) 18.121 6.048 ( 9.668 -14.281 -3.370) 17.572 6.048 ( 9.668 14.281 -3.370) 17.572 6.128 ( 6.161 -13.528 -0.280) 14.868 6.128 ( 6.161 13.528 -0.280) 14.868 6.692 ( 15.566 -7.646 1.750) 17.430 6.692 ( 15.566 7.646 1.750) 17.430 7.236 ( 2.443 -8.047 -2.430) 8.753 7.236 ( 2.443 8.047 -2.430) 8.753 7.457 ( -0.306 -12.481 -2.153) 12.669 7.457 ( -0.306 12.481 -2.153) 12.669 7.674 ( -5.890 -5.574 2.468) 8.477 7.674 ( -5.890 5.574 2.468) 8.477 11.357 ( 1.712 -5.412 -0.157) 5.678 11.357 ( 1.712 5.412 -0.157) 5.678 11.523 ( -2.479 -4.788 -0.455) 5.411 11.523 ( -2.479 4.788 -0.455) 5.411 11.871 ( 0.063 -4.015 0.654) 4.069 11.871 ( 0.063 4.015 0.654) 4.069 11.929 ( -1.570 -1.897 0.258) 2.476 11.929 ( -1.570 1.897 0.258) 2.476 12.191 ( 1.140 -5.454 -0.279) 5.579 12.191 ( 1.140 5.454 -0.279) 5.579 12.242 ( -0.262 -3.102 0.165) 3.118 12.242 ( -0.262 3.102 0.165) 3.118 12.506 ( 1.098 -2.481 0.574) 2.773 12.506 ( 1.098 2.481 0.574) 2.773 12.607 ( -1.592 -1.127 -0.442) 2.000 12.607 ( -1.592 1.127 -0.442) 2.000 13.302 ( 1.385 -5.043 -0.473) 5.251 13.302 ( 1.385 5.043 -0.473) 5.251 13.318 ( 1.553 -2.890 -0.025) 3.281 13.318 ( 1.553 2.890 -0.025) 3.281 13.536 ( -0.415 -2.330 -0.209) 2.376 13.536 ( -0.415 2.330 -0.209) 2.376 13.576 ( -1.117 -3.161 0.657) 3.416 13.576 ( -1.116 3.161 0.657) 3.416 14.021 ( 0.608 -2.493 -0.228) 2.576 14.021 ( 0.608 2.493 -0.228) 2.576 14.090 ( -1.078 -7.285 -0.516) 7.383 14.090 ( -1.078 7.285 -0.516) 7.383 ======================= Grid point 69 (30/60) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 6.467 -7.211 1.502) 9.802 1.639 ( 6.467 7.211 1.502) 9.802 1.767 ( -6.691 -4.778 -0.791) 8.260 1.767 ( -6.691 4.778 -0.792) 8.260 2.181 ( 9.782 -14.131 1.956) 17.298 2.181 ( 9.782 14.131 1.956) 17.298 2.329 ( -3.380 -10.053 -1.720) 10.744 2.329 ( -3.380 10.053 -1.720) 10.744 2.407 ( 4.254 -11.963 0.836) 12.724 2.407 ( 4.254 11.963 0.836) 12.724 2.562 ( -8.359 -9.341 2.130) 12.715 2.562 ( -8.359 9.341 2.130) 12.715 3.428 ( 7.394 -13.129 0.495) 15.076 3.428 ( 7.394 13.129 0.495) 15.076 3.547 ( -4.265 -10.265 -0.706) 11.139 3.547 ( -4.265 10.265 -0.706) 11.139 3.790 ( 2.619 -1.306 0.739) 3.018 3.790 ( 2.619 1.306 0.739) 3.018 3.898 ( -7.230 -0.900 1.294) 7.400 3.898 ( -7.230 0.900 1.294) 7.400 4.116 ( 11.195 -2.824 -2.965) 11.920 4.116 ( 11.195 2.824 -2.965) 11.920 4.315 ( -8.587 -1.605 -0.227) 8.739 4.315 ( -8.587 1.605 -0.227) 8.739 4.556 ( 4.595 -0.811 3.433) 5.793 4.556 ( 4.595 0.811 3.433) 5.793 4.742 ( -16.346 -2.938 0.182) 16.609 4.742 ( -16.346 2.938 0.182) 16.609 5.657 ( 0.139 -16.541 -0.109) 16.542 5.657 ( 0.139 16.541 -0.109) 16.542 5.691 ( -3.139 -17.773 0.664) 18.060 5.691 ( -3.139 17.773 0.664) 18.060 6.179 ( 4.314 -15.862 -1.180) 16.481 6.179 ( 4.314 15.862 -1.180) 16.481 6.205 ( 1.497 -16.242 -0.393) 16.315 6.205 ( 1.497 16.242 -0.393) 16.315 7.013 ( 16.995 -7.166 0.679) 18.456 7.013 ( 16.995 7.166 0.679) 18.456 7.235 ( -5.356 -5.185 -0.782) 7.496 7.235 ( -5.356 5.185 -0.782) 7.496 7.461 ( 1.900 -10.759 -2.239) 11.152 7.461 ( 1.900 10.759 -2.239) 11.152 7.545 ( -6.798 -7.034 0.990) 9.832 7.545 ( -6.798 7.034 0.990) 9.832 11.402 ( 3.091 -5.968 -0.128) 6.722 11.402 ( 3.091 5.968 -0.128) 6.722 11.465 ( -3.569 -5.898 -0.235) 6.898 11.465 ( -3.569 5.898 -0.235) 6.898 11.877 ( 0.697 -3.159 0.630) 3.296 11.877 ( 0.697 3.159 0.630) 3.296 11.898 ( -1.559 -2.109 0.496) 2.669 11.898 ( -1.559 2.109 0.496) 2.669 12.214 ( 1.257 -5.066 -0.190) 5.223 12.214 ( 1.257 5.066 -0.190) 5.223 12.233 ( -0.777 -4.300 -0.032) 4.369 12.233 ( -0.777 4.300 -0.032) 4.369 12.534 ( 1.853 -2.244 0.377) 2.934 12.534 ( 1.853 2.244 0.377) 2.934 12.571 ( -2.131 -1.818 0.023) 2.801 12.571 ( -2.131 1.818 0.023) 2.801 13.331 ( 1.422 -5.492 -0.716) 5.718 13.331 ( 1.422 5.492 -0.716) 5.718 13.341 ( 0.504 -4.021 -0.579) 4.094 13.341 ( 0.504 4.021 -0.579) 4.094 13.533 ( 0.339 -1.052 0.150) 1.116 13.533 ( 0.339 1.052 0.150) 1.116 13.550 ( -1.428 -2.465 0.399) 2.876 13.550 ( -1.428 2.465 0.399) 2.876 14.038 ( 1.236 -4.520 -0.182) 4.690 14.038 ( 1.236 4.520 -0.182) 4.690 14.065 ( -1.530 -6.252 -0.299) 6.443 14.065 ( -1.530 6.252 -0.299) 6.443 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 0.000 5.766) 5.766 0.677 ( 0.000 0.000 5.610) 5.610 0.922 ( 0.000 0.000 16.535) 16.535 1.074 ( 0.000 0.000 22.173) 22.173 1.505 ( 0.000 0.000 32.784) 32.784 1.664 ( 0.000 0.000 -8.509) 8.509 1.933 ( 0.000 0.000 -8.816) 8.816 2.137 ( 0.000 0.000 2.507) 2.507 2.220 ( 0.000 0.000 -5.318) 5.318 2.269 ( 0.000 0.000 1.932) 1.932 2.559 ( 0.000 0.000 1.447) 1.447 2.583 ( 0.000 0.000 -0.499) 0.499 2.774 ( 0.000 0.000 -5.900) 5.900 2.944 ( 0.000 0.000 3.410) 3.410 3.243 ( 0.000 0.000 -1.340) 1.340 3.402 ( 0.000 0.000 -3.979) 3.979 3.437 ( 0.000 0.000 -2.750) 2.750 3.502 ( 0.000 0.000 6.065) 6.065 3.559 ( 0.000 0.000 -2.469) 2.469 3.941 ( 0.000 0.000 -7.101) 7.101 4.025 ( 0.000 0.000 -11.813) 11.813 4.167 ( 0.000 0.000 -1.448) 1.448 4.310 ( 0.000 0.000 7.312) 7.312 4.514 ( 0.000 0.000 8.645) 8.645 4.565 ( 0.000 0.000 8.319) 8.319 4.603 ( 0.000 0.000 -2.188) 2.188 4.867 ( 0.000 0.000 3.686) 3.686 4.992 ( 0.000 0.000 0.182) 0.182 5.007 ( 0.000 0.000 8.474) 8.474 5.198 ( 0.000 0.000 -2.683) 2.683 5.462 ( 0.000 0.000 2.691) 2.691 5.504 ( 0.000 0.000 -15.218) 15.218 5.592 ( 0.000 0.000 -1.035) 1.035 5.686 ( 0.000 0.000 -6.915) 6.915 6.053 ( 0.000 0.000 5.227) 5.227 6.461 ( 0.000 0.000 -2.469) 2.469 6.476 ( 0.000 0.000 1.271) 1.271 6.509 ( 0.000 0.000 0.565) 0.565 6.710 ( 0.000 0.000 8.656) 8.656 7.175 ( 0.000 0.000 -6.866) 6.866 7.556 ( 0.000 0.000 -2.578) 2.578 7.583 ( 0.000 0.000 -3.992) 3.992 8.181 ( 0.000 0.000 1.867) 1.867 8.241 ( 0.000 0.000 1.810) 1.810 11.549 ( 0.000 0.000 -1.812) 1.812 11.563 ( 0.000 0.000 -1.328) 1.328 11.571 ( 0.000 0.000 0.308) 0.308 11.597 ( 0.000 0.000 -0.257) 0.257 11.895 ( 0.000 0.000 4.631) 4.631 12.122 ( 0.000 0.000 -0.645) 0.645 12.189 ( 0.000 0.000 0.820) 0.820 12.212 ( 0.000 0.000 0.142) 0.142 12.459 ( 0.000 0.000 1.588) 1.588 12.462 ( 0.000 0.000 -0.413) 0.413 12.568 ( 0.000 0.000 -1.174) 1.174 12.644 ( 0.000 0.000 -2.207) 2.207 12.686 ( 0.000 0.000 1.930) 1.930 12.748 ( 0.000 0.000 1.364) 1.364 12.758 ( 0.000 0.000 -0.102) 0.102 12.773 ( 0.000 0.000 0.103) 0.103 13.027 ( 0.000 0.000 -1.001) 1.001 13.135 ( 0.000 0.000 -3.992) 3.992 13.420 ( 0.000 0.000 1.843) 1.843 13.509 ( 0.000 0.000 5.089) 5.089 13.617 ( 0.000 0.000 -4.622) 4.622 13.663 ( 0.000 0.000 -0.522) 0.522 13.691 ( 0.000 0.000 -1.237) 1.237 13.901 ( 0.000 0.000 -5.915) 5.915 14.318 ( 0.000 0.000 0.990) 0.990 14.401 ( 0.000 0.000 -1.716) 1.716 14.637 ( 0.000 0.000 3.181) 3.181 14.752 ( 0.000 0.000 -0.317) 0.317 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.762 0.000 6.815) 6.858 0.670 ( -0.687 0.000 5.869) 5.910 0.880 ( -5.376 0.000 26.025) 26.574 0.951 ( 3.683 0.000 12.800) 13.320 1.555 ( -11.126 0.000 -6.641) 12.957 1.846 ( 5.139 0.000 13.658) 14.593 1.966 ( -3.667 0.000 8.799) 9.533 2.055 ( 12.871 0.000 -5.604) 14.038 2.160 ( 2.237 0.000 2.403) 3.284 2.260 ( -0.899 0.000 2.123) 2.305 2.625 ( 4.594 0.000 -0.812) 4.665 2.741 ( 11.896 0.000 -3.125) 12.299 2.746 ( -0.582 0.000 -2.783) 2.843 2.968 ( -0.307 0.000 -0.962) 1.010 3.157 ( -8.942 0.000 -2.939) 9.413 3.323 ( -5.981 0.000 2.026) 6.315 3.468 ( 1.856 0.000 2.582) 3.180 3.567 ( 7.074 0.000 -6.597) 9.673 3.581 ( 3.424 0.000 0.852) 3.529 3.901 ( -4.195 0.000 -2.655) 4.965 3.910 ( -7.520 0.000 -7.135) 10.367 4.153 ( -3.942 0.000 0.087) 3.943 4.362 ( 5.124 0.000 2.796) 5.837 4.408 ( -8.932 0.000 2.593) 9.300 4.573 ( -4.264 0.000 5.102) 6.649 4.600 ( -0.848 0.000 -2.722) 2.851 4.759 ( -9.291 0.000 4.226) 10.207 4.823 ( -3.507 0.000 4.591) 5.777 5.013 ( -2.672 0.000 0.424) 2.705 5.265 ( -15.008 0.000 -6.371) 16.304 5.477 ( 9.809 0.000 1.359) 9.903 5.499 ( 3.546 0.000 2.174) 4.160 5.601 ( 0.762 0.000 -0.819) 1.119 5.637 ( -7.586 0.000 0.803) 7.628 6.160 ( 19.493 0.000 -1.562) 19.555 6.474 ( -0.144 0.000 1.362) 1.370 6.492 ( 3.877 0.000 -5.110) 6.414 6.502 ( -0.665 0.000 0.781) 1.026 6.892 ( 10.041 0.000 5.836) 11.613 7.153 ( -3.114 0.000 -5.411) 6.243 7.481 ( -0.623 0.000 -0.759) 0.982 7.704 ( 6.635 0.000 -5.415) 8.565 8.148 ( -3.379 0.000 1.863) 3.858 8.205 ( -3.491 0.000 1.354) 3.744 11.538 ( 0.233 0.000 -0.488) 0.540 11.573 ( 0.227 0.000 0.249) 0.337 11.594 ( -0.289 0.000 -0.209) 0.357 11.602 ( 2.285 0.000 -1.629) 2.806 11.858 ( -2.463 0.000 2.224) 3.318 12.095 ( -3.860 0.000 -2.831) 4.787 12.192 ( 0.306 0.000 0.764) 0.823 12.211 ( -0.152 0.000 0.219) 0.266 12.467 ( 0.798 0.000 1.518) 1.715 12.470 ( 1.881 0.000 1.823) 2.620 12.552 ( -1.497 0.000 -0.387) 1.546 12.643 ( -0.878 0.000 -0.713) 1.131 12.699 ( 1.236 0.000 1.167) 1.700 12.755 ( 0.824 0.000 0.763) 1.123 12.755 ( -0.289 0.000 -0.139) 0.320 12.778 ( 0.334 0.000 0.050) 0.338 13.053 ( 2.650 0.000 -1.072) 2.859 13.147 ( 1.007 0.000 -3.461) 3.604 13.397 ( -1.880 0.000 2.844) 3.409 13.474 ( -3.270 0.000 4.694) 5.721 13.649 ( 3.004 0.000 -4.609) 5.501 13.663 ( 0.036 0.000 -0.554) 0.555 13.686 ( -0.516 0.000 -1.134) 1.246 13.872 ( -2.982 0.000 -5.882) 6.594 14.338 ( 1.836 0.000 0.668) 1.953 14.405 ( 0.282 0.000 -1.284) 1.314 14.645 ( 0.843 0.000 2.484) 2.623 14.739 ( -1.373 0.000 -0.246) 1.395 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -0.152 0.000 7.542) 7.544 0.654 ( -0.889 0.000 6.672) 6.731 1.022 ( 18.477 0.000 13.515) 22.892 1.075 ( 9.970 0.000 5.110) 11.203 1.306 ( -14.376 0.000 -1.805) 14.489 1.446 ( -25.502 0.000 3.454) 25.735 2.205 ( 2.351 0.000 2.365) 3.335 2.223 ( 11.254 0.000 9.156) 14.508 2.239 ( -1.379 0.000 2.311) 2.691 2.294 ( 5.920 0.000 8.817) 10.620 2.748 ( 8.436 0.000 -1.674) 8.601 2.790 ( 5.128 0.000 -1.814) 5.440 2.900 ( -6.202 0.000 -2.789) 6.800 2.940 ( 10.899 0.000 -4.933) 11.963 2.957 ( -11.377 0.000 -3.157) 11.806 3.157 ( -11.759 0.000 0.077) 11.760 3.623 ( 13.956 0.000 1.663) 14.055 3.683 ( 6.730 0.000 2.847) 7.307 3.716 ( 8.295 0.000 -8.834) 12.117 3.803 ( -6.108 0.000 1.796) 6.367 3.823 ( -1.340 0.000 -0.643) 1.486 4.058 ( -9.428 0.000 4.194) 10.319 4.212 ( -6.875 0.000 -8.126) 10.644 4.347 ( -14.403 0.000 -0.982) 14.436 4.469 ( 5.820 0.000 -1.865) 6.112 4.559 ( -3.685 0.000 -3.182) 4.868 4.740 ( 2.386 0.000 4.817) 5.376 4.788 ( -1.937 0.000 5.455) 5.788 4.920 ( -4.817 0.000 3.508) 5.959 4.954 ( -10.156 0.000 5.964) 11.777 5.568 ( 3.341 0.000 0.973) 3.480 5.576 ( 2.160 0.000 -0.441) 2.205 5.606 ( -0.661 0.000 -0.156) 0.679 5.607 ( 0.215 0.000 -0.065) 0.225 6.475 ( 0.330 0.000 1.448) 1.485 6.487 ( -0.872 0.000 1.215) 1.495 6.571 ( 20.741 0.000 -2.936) 20.948 6.672 ( 15.750 0.000 -4.183) 16.296 6.872 ( -10.200 0.000 0.398) 10.208 6.998 ( -14.480 0.000 -3.088) 14.805 7.608 ( 11.599 0.000 0.546) 11.612 7.761 ( -2.492 0.000 -2.763) 3.720 8.093 ( -0.827 0.000 0.791) 1.145 8.132 ( -3.931 0.000 0.203) 3.937 11.563 ( 2.277 0.000 0.601) 2.355 11.579 ( 0.396 0.000 0.099) 0.408 11.587 ( -0.434 0.000 -0.076) 0.441 11.608 ( -1.865 0.000 0.634) 1.970 11.868 ( 4.214 0.000 -3.184) 5.282 11.984 ( -7.278 0.000 -4.837) 8.739 12.199 ( 0.422 0.000 0.610) 0.742 12.206 ( -0.331 0.000 0.403) 0.522 12.488 ( 1.514 0.000 1.253) 1.966 12.520 ( -1.867 0.000 0.652) 1.978 12.532 ( 4.200 0.000 3.329) 5.359 12.604 ( -3.228 0.000 1.951) 3.772 12.724 ( 1.364 0.000 0.245) 1.386 12.745 ( -0.853 0.000 -0.124) 0.862 12.771 ( 0.784 0.000 0.060) 0.787 12.780 ( -0.139 0.000 -0.034) 0.143 13.112 ( 3.286 0.000 -1.443) 3.589 13.154 ( -0.868 0.000 -2.349) 2.504 13.377 ( 0.264 0.000 3.852) 3.861 13.410 ( -3.096 0.000 4.310) 5.307 13.666 ( 0.315 0.000 -0.674) 0.744 13.675 ( -0.613 0.000 -0.896) 1.086 13.718 ( 4.322 0.000 -5.278) 6.822 13.801 ( -4.484 0.000 -5.725) 7.272 14.375 ( 1.949 0.000 0.366) 1.983 14.402 ( -0.842 0.000 -0.286) 0.890 14.669 ( 1.763 0.000 1.098) 2.076 14.706 ( -2.098 0.000 0.115) 2.102 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 16.243 3.525) 16.621 0.969 ( 0.000 19.718 -1.326) 19.763 1.144 ( 0.000 8.643 17.487) 19.506 1.327 ( 0.000 19.588 15.978) 25.278 1.717 ( 0.000 18.175 14.567) 23.292 1.933 ( 0.000 7.598 -3.928) 8.553 1.942 ( 0.000 12.270 -4.598) 13.104 2.180 ( 0.000 5.301 4.110) 6.708 2.250 ( 0.000 2.661 -6.442) 6.970 2.479 ( 0.000 29.773 0.945) 29.788 2.552 ( 0.000 0.812 1.636) 1.826 2.691 ( 0.000 11.320 0.355) 11.326 2.802 ( 0.000 0.726 -4.472) 4.531 3.077 ( 0.000 11.052 0.956) 11.093 3.175 ( 0.000 -7.705 -3.518) 8.470 3.415 ( 0.000 3.371 -2.158) 4.002 3.441 ( 0.000 0.716 -2.843) 2.931 3.486 ( 0.000 -1.362 4.265) 4.477 3.736 ( 0.000 13.926 -0.905) 13.956 4.074 ( 0.000 6.368 -9.761) 11.655 4.101 ( 0.000 15.587 -5.696) 16.595 4.167 ( 0.000 1.156 -1.896) 2.220 4.277 ( 0.000 -2.614 6.999) 7.471 4.505 ( 0.000 -0.627 8.333) 8.357 4.606 ( 0.000 4.658 7.999) 9.256 4.612 ( 0.000 -0.202 -1.764) 1.776 4.818 ( 0.000 -5.111 1.566) 5.346 4.894 ( 0.000 -10.302 0.942) 10.345 4.953 ( 0.000 -2.873 8.060) 8.557 5.009 ( 0.000 -9.607 1.733) 9.762 5.472 ( 0.000 -1.266 -10.892) 10.966 5.546 ( 0.000 1.212 -5.115) 5.257 5.706 ( 0.000 8.133 -2.948) 8.651 5.785 ( 0.000 11.165 -1.355) 11.247 6.048 ( 0.000 -0.438 3.581) 3.607 6.319 ( 0.000 -7.026 -1.852) 7.266 6.501 ( 0.000 2.555 3.006) 3.945 6.667 ( 0.000 4.220 5.750) 7.132 6.716 ( 0.000 5.081 2.027) 5.471 7.168 ( 0.000 -0.704 -6.749) 6.786 7.527 ( 0.000 -2.971 -2.425) 3.835 7.573 ( 0.000 -0.956 -3.926) 4.040 8.148 ( 0.000 -3.384 1.872) 3.867 8.207 ( 0.000 -3.445 1.851) 3.910 11.477 ( 0.000 -5.782 -0.795) 5.836 11.514 ( 0.000 -3.466 -1.461) 3.761 11.586 ( 0.000 0.072 0.137) 0.155 11.600 ( 0.000 -1.269 -0.287) 1.301 11.886 ( 0.000 -0.560 3.651) 3.694 12.084 ( 0.000 -3.415 -0.518) 3.454 12.182 ( 0.000 -1.035 0.379) 1.102 12.186 ( 0.000 -2.714 0.248) 2.726 12.396 ( 0.000 -6.926 -0.041) 6.927 12.461 ( 0.000 0.067 1.661) 1.662 12.569 ( 0.000 -0.697 -1.019) 1.234 12.608 ( 0.000 -4.723 -2.116) 5.176 12.622 ( 0.000 -4.560 0.607) 4.601 12.649 ( 0.000 -6.221 0.611) 6.250 12.741 ( 0.000 -2.686 0.475) 2.728 12.750 ( 0.000 -2.337 0.118) 2.340 13.091 ( 0.000 4.580 -0.132) 4.581 13.179 ( 0.000 3.594 -2.772) 4.539 13.395 ( 0.000 -2.291 2.113) 3.117 13.496 ( 0.000 -0.795 4.855) 4.919 13.606 ( 0.000 -1.384 -4.826) 5.020 13.651 ( 0.000 -1.208 -0.205) 1.225 13.685 ( 0.000 -0.648 -1.291) 1.444 13.863 ( 0.000 -3.971 -5.736) 6.977 14.235 ( 0.000 -7.863 1.407) 7.988 14.325 ( 0.000 -7.310 -1.593) 7.481 14.546 ( 0.000 -8.956 3.278) 9.537 14.674 ( 0.000 -7.766 -0.600) 7.789 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.20 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.172 15.570 5.439) 16.493 0.894 ( -3.076 14.786 8.959) 17.560 1.049 ( -1.608 19.084 8.417) 20.920 1.489 ( 5.610 33.383 9.258) 35.094 1.813 ( -11.241 6.843 -2.776) 13.450 1.868 ( 10.761 6.762 8.945) 15.541 1.998 ( -6.876 2.349 1.876) 7.505 2.113 ( 5.960 8.241 -3.916) 10.898 2.233 ( 5.819 9.044 6.457) 12.544 2.427 ( -4.655 24.533 1.726) 25.030 2.714 ( 6.386 1.615 -1.153) 6.687 2.720 ( 7.432 7.607 -1.366) 10.723 2.803 ( 1.953 3.495 -2.966) 4.982 3.088 ( -1.746 6.118 -0.144) 6.364 3.121 ( -4.908 -0.822 -3.391) 6.022 3.345 ( -6.183 3.578 2.568) 7.591 3.461 ( 2.251 -0.276 1.030) 2.491 3.573 ( 8.244 0.613 -6.599) 10.577 3.745 ( 1.697 11.131 -0.585) 11.274 3.959 ( -7.834 9.726 -3.286) 12.913 4.048 ( -4.369 9.343 -0.664) 10.336 4.171 ( -1.450 6.844 -3.145) 7.670 4.333 ( -0.654 -2.274 3.864) 4.531 4.405 ( -5.540 -0.110 3.042) 6.322 4.556 ( -2.090 -5.274 -1.366) 5.835 4.611 ( -6.586 3.736 3.629) 8.397 4.734 ( -4.396 -1.682 2.669) 5.411 4.777 ( -3.559 -3.783 3.237) 6.120 4.962 ( -2.219 -4.055 1.876) 4.988 5.159 ( 5.112 -10.221 2.206) 11.639 5.266 ( -9.439 -6.192 -5.152) 12.409 5.480 ( -13.149 -4.341 1.157) 13.895 5.765 ( 4.916 11.605 0.393) 12.610 5.826 ( 1.419 11.710 -0.440) 11.804 6.171 ( 19.551 1.305 -1.628) 19.662 6.390 ( 7.188 -3.826 -2.452) 8.503 6.490 ( 0.356 1.455 1.660) 2.236 6.653 ( -2.848 8.631 -2.342) 9.385 6.889 ( 11.195 -0.128 6.119) 12.759 7.156 ( -2.324 0.507 -4.944) 5.486 7.460 ( -1.458 -2.104 -0.579) 2.624 7.672 ( 5.950 -3.212 -5.289) 8.584 8.116 ( -3.333 -3.312 1.842) 5.047 8.171 ( -3.490 -3.465 1.408) 5.115 11.475 ( 0.376 -5.210 -0.118) 5.225 11.539 ( 1.666 -3.585 -1.185) 4.126 11.585 ( -0.034 -1.570 0.005) 1.570 11.598 ( -0.114 -0.632 -0.296) 0.707 11.859 ( -1.723 0.270 1.583) 2.355 12.062 ( -3.288 -3.001 -2.497) 5.104 12.182 ( -0.020 -1.428 0.317) 1.463 12.186 ( 0.004 -2.585 0.339) 2.607 12.386 ( 0.340 -6.557 1.985) 6.859 12.486 ( 2.189 -0.280 1.785) 2.838 12.532 ( -2.891 -2.670 0.025) 3.936 12.624 ( -0.862 -3.798 0.514) 3.929 12.629 ( 1.503 -4.376 -1.109) 4.758 12.657 ( 1.084 -5.853 -0.288) 5.960 12.744 ( 0.295 -2.598 0.261) 2.628 12.753 ( 0.275 -2.455 0.026) 2.471 13.113 ( 2.257 4.401 -0.216) 4.951 13.191 ( 1.028 3.573 -2.428) 4.441 13.380 ( -1.274 -1.636 2.743) 3.438 13.465 ( -2.854 -0.469 4.241) 5.134 13.633 ( 2.508 -1.702 -4.447) 5.382 13.653 ( 0.273 -1.112 -0.500) 1.250 13.679 ( -0.541 -0.698 -1.253) 1.533 13.838 ( -2.597 -3.558 -5.740) 7.235 14.251 ( 1.545 -8.228 1.173) 8.454 14.324 ( -0.213 -7.850 -1.024) 7.919 14.557 ( 1.180 -8.612 2.495) 9.044 14.661 ( -1.362 -7.747 -0.489) 7.881 ======================= Grid point 97 (36/60) ======================= q-point: ( 0.40 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.892 17.829 2.060) 17.970 0.895 ( 0.666 16.773 2.143) 16.922 1.131 ( 12.870 12.621 11.977) 21.642 1.462 ( -18.774 8.502 5.464) 21.322 1.596 ( 3.642 32.622 1.603) 32.863 1.745 ( -10.649 27.141 -1.590) 29.199 2.150 ( 10.323 -2.648 7.825) 13.222 2.245 ( 1.948 0.012 2.719) 3.345 2.343 ( 2.363 12.741 4.730) 13.794 2.383 ( 1.616 13.736 5.048) 14.723 2.779 ( 4.681 2.688 -1.450) 5.590 2.858 ( 0.829 2.975 -2.723) 4.117 2.905 ( 7.162 2.524 -2.704) 8.061 3.008 ( -0.393 6.049 -2.132) 6.426 3.031 ( -4.767 7.164 -2.083) 8.854 3.181 ( -11.157 3.240 0.262) 11.621 3.612 ( 13.407 0.282 2.472) 13.636 3.730 ( 8.286 1.379 -8.863) 12.211 3.785 ( -1.273 0.154 -0.839) 1.532 3.862 ( 0.298 12.865 2.416) 13.094 3.997 ( -1.622 14.619 0.580) 14.720 4.110 ( -12.677 6.596 3.625) 14.744 4.154 ( -1.628 -1.575 -5.667) 6.103 4.312 ( -12.880 -1.764 -0.242) 13.003 4.494 ( 3.093 0.780 -3.154) 4.486 4.552 ( -2.045 -1.354 -3.774) 4.501 4.709 ( 0.489 -1.977 4.227) 4.692 4.743 ( -1.890 -4.096 5.356) 7.002 4.902 ( -2.448 -1.498 3.743) 4.716 4.952 ( -10.422 0.247 3.656) 11.047 5.320 ( 3.993 -12.238 2.599) 13.133 5.362 ( -1.809 -10.207 1.556) 10.482 5.816 ( 1.428 10.073 -0.933) 10.217 5.835 ( -0.531 10.699 -0.928) 10.752 6.489 ( 1.682 0.761 0.274) 1.867 6.498 ( 3.692 1.503 0.345) 4.001 6.613 ( 17.729 3.890 -2.130) 18.275 6.706 ( 13.049 3.665 -3.702) 14.050 6.893 ( -9.283 2.233 0.747) 9.577 7.014 ( -14.018 1.816 -2.497) 14.354 7.571 ( 11.224 -3.772 0.696) 11.862 7.722 ( -2.623 -3.930 -2.586) 5.386 8.061 ( -0.868 -3.299 0.794) 3.503 8.099 ( -3.868 -3.436 0.243) 5.179 11.497 ( 1.993 -4.889 0.710) 5.327 11.537 ( -1.819 -4.096 0.774) 4.548 11.593 ( 0.587 -1.936 -0.611) 2.114 11.597 ( -0.001 -0.246 -0.347) 0.426 11.867 ( 3.229 0.057 -2.537) 4.107 11.964 ( -6.360 -1.754 -4.253) 7.849 12.183 ( 0.119 -1.917 0.392) 1.961 12.185 ( -0.078 -2.274 0.356) 2.303 12.419 ( 2.789 -5.978 2.870) 7.194 12.475 ( -3.139 -4.511 1.766) 5.772 12.536 ( 3.036 -1.026 1.979) 3.767 12.590 ( -2.600 -2.331 1.565) 3.826 12.656 ( 1.172 -5.213 -0.756) 5.397 12.668 ( -0.079 -5.230 -0.655) 5.272 12.751 ( 0.442 -2.543 -0.135) 2.584 12.756 ( -0.040 -2.503 -0.192) 2.511 13.163 ( 2.795 3.865 -0.639) 4.812 13.198 ( -0.682 3.568 -1.583) 3.962 13.370 ( 0.706 -0.596 3.462) 3.583 13.407 ( -3.023 -0.092 3.752) 4.819 13.654 ( 0.444 -1.250 -0.577) 1.446 13.665 ( -0.641 -1.071 -0.775) 1.469 13.700 ( 3.819 -1.822 -5.265) 6.755 13.775 ( -4.019 -2.709 -5.663) 7.454 14.284 ( 1.841 -8.699 0.797) 8.927 14.312 ( -1.134 -8.622 0.078) 8.696 14.587 ( 2.050 -8.015 1.006) 8.334 14.627 ( -2.160 -7.756 -0.040) 8.051 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 17.745 1.382) 17.799 1.226 ( 0.000 8.482 5.990) 10.384 1.400 ( 0.000 16.273 9.421) 18.803 1.614 ( 0.000 12.917 8.405) 15.411 1.832 ( 0.000 3.565 -2.728) 4.489 2.006 ( 0.000 -1.401 -0.597) 1.523 2.093 ( 0.000 1.243 -5.624) 5.760 2.300 ( 0.000 2.938 -8.008) 8.530 2.393 ( 0.000 8.353 9.973) 13.009 2.602 ( 0.000 4.304 3.021) 5.258 2.757 ( 0.000 -5.100 -4.551) 6.835 2.982 ( 0.000 -11.059 2.902) 11.433 3.138 ( 0.000 28.492 1.685) 28.542 3.189 ( 0.000 25.388 2.646) 25.526 3.266 ( 0.000 7.777 -2.866) 8.288 3.482 ( 0.000 2.359 -8.511) 8.832 3.499 ( 0.000 8.288 -1.808) 8.483 3.506 ( 0.000 10.074 4.858) 11.184 3.908 ( 0.000 4.154 -5.136) 6.606 4.081 ( 0.000 -8.952 5.739) 10.634 4.131 ( 0.000 -3.222 -2.271) 3.942 4.360 ( 0.000 -10.809 0.070) 10.809 4.454 ( 0.000 19.117 -0.904) 19.139 4.478 ( 0.000 -1.203 4.710) 4.862 4.654 ( 0.000 13.561 1.688) 13.665 4.655 ( 0.000 -3.690 2.520) 4.468 4.782 ( 0.000 6.890 -0.328) 6.897 4.805 ( 0.000 7.380 5.868) 9.429 4.984 ( 0.000 9.324 2.801) 9.736 5.045 ( 0.000 18.552 4.117) 19.003 5.463 ( 0.000 0.360 -9.997) 10.004 5.538 ( 0.000 -0.941 -6.021) 6.094 5.837 ( 0.000 4.510 -0.629) 4.554 6.003 ( 0.000 8.074 -0.857) 8.119 6.043 ( 0.000 1.144 -0.375) 1.204 6.206 ( 0.000 -5.118 -2.207) 5.573 6.575 ( 0.000 4.919 6.351) 8.033 6.648 ( 0.000 -2.164 8.086) 8.371 6.896 ( 0.000 9.220 -1.860) 9.406 7.149 ( 0.000 -1.129 -6.447) 6.545 7.444 ( 0.000 -5.513 -1.854) 5.817 7.549 ( 0.000 -1.281 -3.726) 3.941 8.048 ( 0.000 -7.218 1.934) 7.473 8.110 ( 0.000 -6.713 1.837) 6.960 11.360 ( 0.000 -5.484 0.156) 5.486 11.443 ( 0.000 -3.473 -2.249) 4.138 11.544 ( 0.000 -3.699 0.614) 3.750 11.575 ( 0.000 -0.957 -0.022) 0.957 11.886 ( 0.000 0.708 1.814) 1.947 12.013 ( 0.000 -3.447 0.262) 3.457 12.110 ( 0.000 -4.983 0.330) 4.994 12.125 ( 0.000 -6.465 -1.128) 6.563 12.231 ( 0.000 -7.197 1.438) 7.339 12.447 ( 0.000 -2.858 0.558) 2.912 12.480 ( 0.000 -7.525 1.482) 7.669 12.482 ( 0.000 -6.757 -1.702) 6.968 12.534 ( 0.000 -4.586 0.033) 4.586 12.597 ( 0.000 -0.570 -1.303) 1.422 12.668 ( 0.000 -4.475 0.457) 4.498 12.689 ( 0.000 -3.636 -0.094) 3.638 13.165 ( 0.000 3.021 1.070) 3.205 13.245 ( 0.000 2.867 -1.115) 3.076 13.346 ( 0.000 -2.449 2.085) 3.216 13.493 ( 0.000 0.691 2.508) 2.602 13.550 ( 0.000 -4.809 -4.527) 6.605 13.619 ( 0.000 -2.112 0.575) 2.189 13.669 ( 0.000 -1.109 -1.631) 1.972 13.750 ( 0.000 -7.206 -4.581) 8.539 14.071 ( 0.000 -7.311 1.871) 7.547 14.157 ( 0.000 -8.780 -1.259) 8.870 14.329 ( 0.000 -12.206 3.108) 12.595 14.478 ( 0.000 -11.743 -1.266) 11.811 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -1.993 13.917 10.423) 17.502 1.220 ( 0.449 17.288 1.186) 17.334 1.433 ( 1.582 18.954 1.631) 19.090 1.820 ( 12.283 6.639 11.265) 17.940 1.871 ( 2.872 3.934 -1.371) 5.060 1.938 ( -3.645 1.262 1.676) 4.206 2.070 ( -2.972 2.241 -3.166) 4.887 2.220 ( -1.661 4.522 -5.770) 7.517 2.421 ( 3.197 3.914 4.927) 7.058 2.715 ( 5.535 2.438 1.339) 6.195 2.746 ( 0.754 -4.110 -6.175) 7.456 2.945 ( -1.546 -5.017 3.455) 6.285 3.139 ( -3.466 24.623 1.831) 24.933 3.173 ( 2.166 18.975 4.395) 19.598 3.296 ( 1.212 16.303 0.145) 16.349 3.443 ( -4.652 9.237 0.523) 10.356 3.500 ( 1.640 5.640 -3.688) 6.935 3.606 ( 9.511 4.362 -5.913) 12.019 3.848 ( -4.811 2.857 -3.569) 6.637 3.992 ( -5.918 -6.563 2.661) 9.229 4.220 ( 2.368 -5.797 -0.901) 6.327 4.238 ( -7.366 -6.290 0.531) 9.701 4.430 ( -5.921 3.412 -3.475) 7.667 4.465 ( -0.324 10.805 2.314) 11.054 4.606 ( -4.434 8.356 3.318) 10.025 4.644 ( -0.959 5.728 4.360) 7.262 4.738 ( -2.305 5.574 5.277) 8.015 4.802 ( -3.243 11.466 -1.150) 11.972 4.939 ( -3.209 5.883 2.178) 7.047 5.121 ( 5.242 12.286 3.298) 13.759 5.184 ( -13.845 -2.309 -4.691) 14.800 5.430 ( -14.931 -0.464 -1.794) 15.046 5.932 ( 2.840 5.318 -0.501) 6.050 6.008 ( 0.286 5.668 -0.976) 5.759 6.217 ( 20.281 3.127 -1.706) 20.591 6.345 ( 11.360 -1.307 -2.136) 11.633 6.525 ( 2.104 2.190 2.340) 3.834 6.810 ( -4.224 7.188 -2.479) 8.698 6.899 ( 13.013 1.591 5.826) 14.346 7.176 ( 0.255 1.454 -3.646) 3.933 7.405 ( -2.941 -3.357 -0.297) 4.473 7.586 ( 3.445 -5.382 -5.171) 8.220 8.017 ( -3.148 -7.056 1.744) 7.921 8.071 ( -3.709 -6.968 1.510) 8.037 11.367 ( 0.918 -5.138 0.493) 5.242 11.463 ( 1.510 -3.751 -1.869) 4.454 11.524 ( -1.393 -3.781 0.617) 4.077 11.580 ( 0.086 -1.346 -0.544) 1.454 11.872 ( -0.997 0.991 0.646) 1.548 12.001 ( -2.337 -2.775 -1.758) 4.031 12.098 ( -0.385 -6.820 0.837) 6.882 12.123 ( -0.230 -5.369 -0.289) 5.382 12.242 ( 1.481 -6.290 2.546) 6.945 12.429 ( -3.385 -7.070 2.258) 8.158 12.460 ( 0.568 -3.229 0.124) 3.281 12.492 ( 0.474 -7.268 -2.050) 7.566 12.553 ( 1.353 -4.268 0.424) 4.498 12.603 ( 0.349 -1.224 -0.613) 1.413 12.671 ( 0.369 -4.541 0.309) 4.567 12.691 ( 0.160 -3.702 -0.304) 3.718 13.183 ( 1.776 2.703 0.929) 3.365 13.256 ( 0.835 2.729 -1.045) 3.039 13.345 ( 0.092 -1.643 2.230) 2.772 13.466 ( -2.375 0.544 1.725) 2.985 13.576 ( 2.222 -4.420 -3.805) 6.242 13.621 ( 0.283 -2.159 0.284) 2.196 13.660 ( -0.858 -1.398 -1.549) 2.256 13.735 ( -1.591 -6.735 -4.625) 8.324 14.077 ( 0.647 -7.882 1.730) 8.095 14.145 ( -1.207 -9.215 -0.497) 9.307 14.348 ( 1.870 -11.867 2.179) 12.209 14.466 ( -1.286 -11.670 -1.056) 11.788 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 4.227 14.120 3.660) 15.186 1.227 ( -0.216 16.384 -0.416) 16.391 1.472 ( 4.233 20.098 7.406) 21.834 1.643 ( -13.671 11.693 6.794) 19.230 1.951 ( 1.923 4.568 -0.842) 5.027 1.996 ( -3.051 3.274 -2.230) 5.000 2.143 ( 12.376 2.706 7.721) 14.835 2.260 ( 0.648 2.232 1.751) 2.910 2.519 ( 6.927 -1.003 -0.966) 7.066 2.642 ( -6.132 -0.357 -4.863) 7.834 2.873 ( 6.017 2.524 2.442) 6.967 2.948 ( -0.289 1.764 2.646) 3.193 3.097 ( 0.436 10.735 0.769) 10.771 3.186 ( -3.826 7.836 1.884) 8.921 3.258 ( 0.212 26.207 0.704) 26.217 3.341 ( -6.033 21.086 -0.644) 21.941 3.647 ( 13.808 3.263 0.281) 14.191 3.759 ( 3.966 1.539 -7.598) 8.708 3.797 ( -1.050 1.911 -1.059) 2.424 3.945 ( 5.346 -6.741 -0.697) 8.631 3.994 ( -14.825 -2.279 -1.472) 15.071 4.189 ( -14.443 -0.391 -5.357) 15.409 4.355 ( 4.340 -2.635 -0.805) 5.141 4.439 ( -3.494 -4.011 -1.084) 5.429 4.571 ( 1.755 21.907 4.760) 22.487 4.622 ( -1.835 16.439 3.663) 16.942 4.693 ( -2.040 0.986 4.840) 5.344 4.711 ( -4.152 4.085 2.195) 6.225 4.899 ( -0.239 2.776 1.731) 3.280 4.967 ( -8.474 1.430 -0.925) 8.643 5.210 ( 3.993 5.721 2.405) 7.380 5.271 ( -3.384 4.385 2.015) 5.895 5.957 ( 1.279 4.309 -1.097) 4.627 5.988 ( -1.884 4.953 -1.188) 5.431 6.487 ( 4.572 -1.637 -1.553) 5.098 6.521 ( 4.128 -0.206 -0.967) 4.245 6.712 ( 17.437 6.328 -0.932) 18.574 6.816 ( 9.048 7.737 -3.205) 12.329 6.964 ( -6.831 5.315 1.538) 8.790 7.076 ( -12.445 4.747 -1.268) 13.380 7.467 ( 10.208 -6.823 0.906) 12.311 7.614 ( -2.887 -7.021 -2.432) 7.972 7.962 ( -1.108 -7.125 0.769) 7.251 7.997 ( -3.806 -7.321 0.336) 8.258 11.398 ( 2.406 -4.698 1.043) 5.380 11.448 ( -2.720 -4.312 1.034) 5.202 11.537 ( 2.265 -3.426 -1.747) 4.463 11.571 ( -1.138 -2.212 -1.265) 2.790 11.872 ( 1.519 0.435 -1.418) 2.123 11.930 ( -4.355 -1.567 -2.854) 5.438 12.105 ( 0.700 -6.125 0.990) 6.244 12.116 ( -0.474 -5.333 0.342) 5.365 12.288 ( 3.392 -6.372 3.515) 8.029 12.358 ( -4.033 -6.806 3.224) 8.543 12.478 ( 1.040 -4.963 -0.846) 5.141 12.493 ( -0.463 -6.711 -1.492) 6.890 12.578 ( 1.344 -3.167 0.747) 3.521 12.599 ( -0.810 -2.290 0.588) 2.499 12.682 ( 0.684 -4.345 -0.228) 4.404 12.691 ( -0.252 -3.978 -0.488) 4.016 13.222 ( 2.247 2.036 0.505) 3.073 13.256 ( -1.109 1.878 -0.287) 2.200 13.365 ( 2.257 0.419 1.908) 2.985 13.416 ( -2.969 0.985 1.607) 3.517 13.616 ( 1.514 -3.154 -1.638) 3.863 13.632 ( 0.258 -2.498 -0.653) 2.595 13.648 ( 0.807 -3.245 -3.101) 4.560 13.693 ( -2.791 -5.675 -4.603) 7.822 14.094 ( 1.200 -8.956 1.322) 9.132 14.119 ( -1.456 -9.519 0.599) 9.648 14.389 ( 2.456 -11.531 0.700) 11.811 14.433 ( -2.176 -11.530 -0.411) 11.741 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 11.111 6.371) 12.808 1.525 ( 0.000 14.082 1.056) 14.121 1.693 ( 0.000 11.879 1.932) 12.036 1.812 ( 0.000 6.943 2.969) 7.552 1.890 ( 0.000 0.077 -0.349) 0.357 1.925 ( 0.000 -6.700 -1.763) 6.928 2.121 ( 0.000 4.186 -8.765) 9.714 2.373 ( 0.000 2.778 -7.237) 7.752 2.490 ( 0.000 4.340 8.742) 9.760 2.635 ( 0.000 -4.785 -4.412) 6.509 2.688 ( 0.000 3.488 3.115) 4.676 2.771 ( 0.000 -10.029 9.601) 13.884 3.304 ( 0.000 -0.310 8.083) 8.089 3.376 ( 0.000 2.829 -6.884) 7.443 3.397 ( 0.000 5.910 -0.411) 5.924 3.508 ( 0.000 0.328 -5.528) 5.537 3.753 ( 0.000 0.308 4.805) 4.815 3.761 ( 0.000 -1.609 -1.550) 2.234 3.931 ( 0.000 2.033 1.766) 2.693 3.969 ( 0.000 -5.151 1.032) 5.253 3.974 ( 0.000 2.692 -2.802) 3.886 4.143 ( 0.000 -5.749 -4.116) 7.070 4.508 ( 0.000 2.908 6.860) 7.451 4.589 ( 0.000 -1.766 0.865) 1.966 4.646 ( 0.000 0.426 6.415) 6.429 4.657 ( 0.000 -2.700 3.595) 4.496 5.182 ( 0.000 29.631 1.850) 29.688 5.226 ( 0.000 27.377 -2.983) 27.539 5.366 ( 0.000 23.161 2.147) 23.260 5.463 ( 0.000 6.106 -10.421) 12.078 5.520 ( 0.000 -0.632 -4.453) 4.497 5.604 ( 0.000 26.095 0.115) 26.096 5.856 ( 0.000 -2.828 2.203) 3.585 6.002 ( 0.000 -3.625 -2.788) 4.573 6.087 ( 0.000 -8.646 -1.952) 8.864 6.129 ( 0.000 1.373 -1.796) 2.261 6.610 ( 0.000 -1.376 6.893) 7.029 6.660 ( 0.000 1.970 7.241) 7.504 7.038 ( 0.000 5.235 -3.226) 6.149 7.139 ( 0.000 0.365 -6.392) 6.402 7.345 ( 0.000 -2.373 0.188) 2.381 7.539 ( 0.000 0.442 -2.722) 2.757 7.864 ( 0.000 -11.316 2.134) 11.516 7.947 ( 0.000 -9.934 1.449) 10.039 11.297 ( 0.000 -0.416 0.638) 0.761 11.391 ( 0.000 -2.130 -2.121) 3.006 11.498 ( 0.000 -0.174 0.574) 0.600 11.560 ( 0.000 -0.551 -0.832) 0.998 11.909 ( 0.000 1.414 0.665) 1.563 11.929 ( 0.000 -6.291 2.260) 6.685 11.988 ( 0.000 -3.464 -1.448) 3.754 12.002 ( 0.000 -5.965 0.273) 5.971 12.157 ( 0.000 -1.752 0.917) 1.978 12.307 ( 0.000 -8.941 -2.421) 9.263 12.322 ( 0.000 -7.643 1.509) 7.791 12.352 ( 0.000 -7.495 0.034) 7.495 12.495 ( 0.000 -0.026 1.548) 1.548 12.569 ( 0.000 -3.180 0.168) 3.185 12.604 ( 0.000 -0.982 -0.934) 1.355 12.628 ( 0.000 -2.271 -0.762) 2.396 13.217 ( 0.000 2.796 1.136) 3.018 13.283 ( 0.000 1.078 -0.258) 1.108 13.308 ( 0.000 -1.340 0.786) 1.553 13.420 ( 0.000 -7.745 -2.480) 8.133 13.517 ( 0.000 1.331 0.642) 1.478 13.582 ( 0.000 -0.900 1.496) 1.746 13.603 ( 0.000 -5.207 -2.173) 5.642 13.655 ( 0.000 -2.425 -0.780) 2.547 13.999 ( 0.000 0.025 0.386) 0.387 14.029 ( 0.000 -3.913 -0.749) 3.984 14.124 ( 0.000 -8.083 1.801) 8.282 14.253 ( 0.000 -10.821 -1.704) 10.955 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.20 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 1.109 13.119 6.172) 14.541 1.526 ( -0.052 13.606 0.434) 13.613 1.769 ( 6.651 14.493 1.593) 16.026 1.854 ( -2.452 -2.595 1.105) 3.737 1.900 ( 2.269 -2.165 0.869) 3.254 1.993 ( 11.409 2.897 2.483) 12.030 2.129 ( 0.166 5.980 -5.511) 8.134 2.326 ( -2.095 5.697 -3.549) 7.032 2.444 ( -3.296 0.480 2.084) 3.929 2.621 ( -2.851 -4.197 -3.763) 6.317 2.738 ( 2.733 -6.617 12.910) 14.762 2.797 ( 4.355 -3.671 0.617) 5.729 3.251 ( -3.457 0.067 4.612) 5.765 3.356 ( -1.105 3.726 -3.656) 5.336 3.500 ( 7.130 3.158 -2.497) 8.188 3.571 ( 4.817 2.865 -3.918) 6.838 3.717 ( -2.560 -4.017 -0.627) 4.805 3.790 ( 2.990 5.231 0.254) 6.031 3.900 ( -3.237 0.791 1.818) 3.796 3.906 ( -4.524 5.447 -0.694) 7.115 3.986 ( -0.175 -4.653 0.187) 4.660 4.133 ( -0.490 -5.876 -3.498) 6.856 4.439 ( -6.501 1.710 1.026) 6.800 4.515 ( -8.109 -1.550 1.062) 8.324 4.643 ( 0.403 -1.819 5.907) 6.194 4.675 ( 0.879 -1.823 6.428) 6.739 5.017 ( -14.742 14.921 0.765) 20.990 5.108 ( -18.909 2.394 -3.325) 19.347 5.224 ( -2.727 23.761 -0.803) 23.930 5.342 ( -5.341 24.024 6.680) 25.501 5.531 ( -1.436 16.273 -8.099) 18.233 5.592 ( 1.284 25.261 -1.275) 25.325 5.958 ( 1.843 -2.629 -0.820) 3.313 6.031 ( 1.774 -2.847 -1.185) 3.558 6.213 ( 15.185 -5.975 -2.064) 16.449 6.308 ( 10.890 -4.502 -1.191) 11.844 6.591 ( 7.185 5.775 3.431) 9.836 6.895 ( 14.551 -1.297 6.802) 16.115 6.977 ( -0.426 7.909 -5.162) 9.454 7.208 ( 1.860 2.345 -2.255) 3.747 7.349 ( 0.501 -2.141 -0.265) 2.215 7.499 ( -3.467 -1.679 -3.915) 5.492 7.834 ( -3.104 -11.758 1.753) 12.287 7.900 ( -4.708 -10.581 1.383) 11.664 11.310 ( 1.366 -0.181 0.816) 1.602 11.409 ( 1.707 -2.064 -1.994) 3.339 11.475 ( -2.071 -0.419 0.729) 2.235 11.554 ( -0.833 -1.266 -1.269) 1.976 11.891 ( -1.140 0.538 0.406) 1.325 11.940 ( -0.515 -6.596 1.255) 6.734 11.960 ( -0.978 -1.853 -0.221) 2.107 12.007 ( -0.171 -6.075 0.339) 6.087 12.169 ( 1.264 -1.832 1.144) 2.502 12.291 ( -2.107 -6.190 1.308) 6.668 12.322 ( 0.760 -8.979 -1.786) 9.187 12.355 ( 0.083 -7.542 -0.382) 7.552 12.509 ( 1.298 -0.478 1.484) 2.029 12.576 ( 0.629 -2.813 -0.043) 2.883 12.595 ( -0.788 -1.638 -0.192) 1.828 12.626 ( -0.267 -2.630 -0.807) 2.764 13.229 ( 1.156 2.507 0.940) 2.916 13.288 ( 0.076 0.841 -0.133) 0.855 13.324 ( 1.921 -0.686 0.385) 2.076 13.423 ( 0.134 -6.714 -2.409) 7.134 13.519 ( 0.287 0.692 0.406) 0.852 13.579 ( -0.205 -1.598 1.018) 1.905 13.595 ( -0.900 -4.948 -1.855) 5.360 13.638 ( -1.643 -2.612 -0.639) 3.151 13.998 ( -0.107 -0.152 0.377) 0.421 14.020 ( -0.813 -3.116 -0.368) 3.241 14.141 ( 1.691 -8.703 1.230) 8.950 14.243 ( -1.074 -10.691 -1.422) 10.839 ======================= Grid point 107 (42/60) ======================= q-point: ( 0.40 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 3.692 13.414 2.571) 14.148 1.512 ( -2.006 13.226 -0.829) 13.403 1.803 ( -1.389 1.871 5.117) 5.623 1.815 ( -1.599 7.090 5.245) 8.963 1.987 ( 6.602 6.799 0.152) 9.478 2.087 ( -4.321 10.261 0.976) 11.176 2.234 ( 11.459 6.306 2.973) 13.413 2.342 ( 0.319 5.597 -0.084) 5.607 2.431 ( 3.047 -5.643 -1.040) 6.497 2.534 ( -6.295 -6.615 -2.681) 9.517 2.782 ( 4.257 -12.921 8.849) 16.229 2.865 ( -0.971 -8.239 4.734) 9.551 3.214 ( 1.890 5.704 -0.795) 6.061 3.310 ( -5.213 7.466 -2.771) 9.518 3.584 ( 2.730 -0.529 -8.438) 8.884 3.627 ( -1.058 -3.768 -5.498) 6.749 3.722 ( 4.667 3.431 -0.269) 5.799 3.810 ( -4.103 2.985 0.954) 5.163 3.849 ( 0.396 3.862 3.395) 5.158 3.871 ( 0.339 6.360 -0.618) 6.399 4.018 ( 6.199 3.387 0.303) 7.070 4.137 ( -0.282 -4.707 -4.213) 6.323 4.279 ( -8.470 -0.554 -2.365) 8.811 4.334 ( -9.767 -3.872 -1.981) 10.691 4.662 ( 1.885 -1.064 4.981) 5.431 4.698 ( 2.288 -2.087 6.978) 7.635 4.765 ( -8.706 1.293 5.284) 10.266 4.830 ( -10.543 -1.852 2.931) 11.098 5.204 ( 1.224 26.302 1.122) 26.354 5.257 ( -4.093 26.041 3.482) 26.590 5.549 ( 2.402 21.459 -4.695) 22.098 5.590 ( -1.515 21.761 -3.408) 22.078 5.988 ( 2.326 0.205 -0.163) 2.341 6.032 ( -1.861 0.614 0.207) 1.971 6.396 ( 5.918 -8.647 -2.296) 10.727 6.444 ( 1.778 -8.679 -1.777) 9.036 6.857 ( 17.456 8.505 0.281) 19.420 6.999 ( 5.676 10.488 -3.116) 12.326 7.103 ( -2.281 8.439 2.586) 9.116 7.181 ( -5.492 4.044 -1.508) 6.985 7.335 ( 5.008 -3.570 1.365) 6.300 7.464 ( -2.935 -7.614 -2.786) 8.623 7.773 ( -1.841 -12.756 0.753) 12.911 7.806 ( -4.495 -12.537 0.451) 13.326 11.348 ( 2.742 0.177 1.092) 2.957 11.403 ( -2.843 0.244 0.820) 2.969 11.475 ( 2.555 -3.010 -1.765) 4.324 11.525 ( -2.368 -2.552 -1.819) 3.928 11.880 ( 0.133 0.238 -0.189) 0.332 11.901 ( -2.063 -1.591 -0.639) 2.682 11.975 ( 1.260 -5.648 1.664) 6.021 11.996 ( -0.938 -6.316 1.031) 6.468 12.201 ( 2.170 -2.493 1.579) 3.663 12.246 ( -2.569 -4.066 1.825) 5.144 12.339 ( 0.874 -8.464 -1.678) 8.673 12.352 ( -0.484 -7.822 -1.085) 7.911 12.537 ( 1.689 -0.909 1.165) 2.245 12.567 ( -1.454 -0.859 0.398) 1.735 12.599 ( 1.016 -3.839 0.036) 3.971 12.617 ( -0.811 -3.351 -0.494) 3.483 13.255 ( 1.571 1.968 0.520) 2.571 13.280 ( -0.949 1.305 0.149) 1.621 13.371 ( 2.782 -0.859 -0.524) 2.958 13.413 ( -1.478 -3.223 -1.635) 3.905 13.535 ( 1.533 -2.234 -0.473) 2.750 13.569 ( -1.862 -4.440 -1.327) 4.994 13.582 ( 0.654 -2.498 0.216) 2.591 13.604 ( -1.738 -2.655 -0.279) 3.185 13.998 ( 0.175 -0.759 0.307) 0.837 14.005 ( -0.656 -1.801 0.077) 1.919 14.178 ( 2.133 -9.635 0.270) 9.872 14.215 ( -1.847 -10.303 -0.684) 10.489 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 -8.580 4.826) 9.844 1.626 ( 0.000 8.580 4.826) 9.844 1.815 ( 0.000 -5.615 -3.972) 6.878 1.815 ( 0.000 5.615 -3.972) 6.878 1.865 ( 0.000 -1.046 0.149) 1.057 1.865 ( 0.000 1.046 0.149) 1.057 2.274 ( 0.000 -9.933 -7.800) 12.630 2.274 ( 0.000 9.933 -7.800) 12.630 2.601 ( 0.000 -7.134 12.283) 14.204 2.601 ( 0.000 7.134 12.283) 14.204 2.686 ( 0.000 -4.419 -2.078) 4.883 2.686 ( 0.000 4.419 -2.078) 4.883 3.347 ( 0.000 -4.840 1.013) 4.945 3.347 ( 0.000 4.840 1.013) 4.945 3.499 ( 0.000 -2.151 0.163) 2.157 3.499 ( 0.000 2.151 0.163) 2.157 3.627 ( 0.000 -2.622 0.666) 2.705 3.627 ( 0.000 2.622 0.666) 2.705 4.003 ( 0.000 -0.599 0.801) 1.000 4.003 ( 0.000 0.599 0.801) 1.000 4.040 ( 0.000 -5.603 -4.440) 7.149 4.040 ( 0.000 5.603 -4.440) 7.149 4.561 ( 0.000 -1.888 4.124) 4.535 4.561 ( 0.000 1.888 4.124) 4.535 4.630 ( 0.000 -0.318 5.089) 5.099 4.630 ( 0.000 0.318 5.089) 5.099 5.463 ( 0.000 -2.529 -8.725) 9.084 5.463 ( 0.000 2.529 -8.725) 9.084 5.699 ( 0.000 -3.380 4.069) 5.290 5.699 ( 0.000 3.380 4.069) 5.290 5.716 ( 0.000 -11.565 -1.380) 11.647 5.716 ( 0.000 11.565 -1.380) 11.647 5.853 ( 0.000 -1.439 -2.133) 2.573 5.853 ( 0.000 1.439 -2.133) 2.573 6.034 ( 0.000 -12.052 -1.278) 12.120 6.034 ( 0.000 12.052 -1.278) 12.120 6.623 ( 0.000 -3.134 6.343) 7.075 6.623 ( 0.000 3.134 6.343) 7.075 7.113 ( 0.000 -3.103 -6.103) 6.847 7.113 ( 0.000 3.103 -6.103) 6.847 7.461 ( 0.000 -11.157 1.735) 11.291 7.461 ( 0.000 11.157 1.735) 11.291 7.768 ( 0.000 -5.762 0.692) 5.803 7.768 ( 0.000 5.762 0.692) 5.803 11.337 ( 0.000 -3.452 -0.207) 3.458 11.337 ( 0.000 3.452 -0.207) 3.458 11.533 ( 0.000 -2.568 -0.704) 2.663 11.533 ( 0.000 2.568 -0.704) 2.663 11.888 ( 0.000 -2.959 0.890) 3.090 11.888 ( 0.000 2.959 0.890) 3.090 11.948 ( 0.000 -1.369 0.113) 1.374 11.948 ( 0.000 1.369 0.113) 1.374 12.171 ( 0.000 -3.951 -0.440) 3.975 12.171 ( 0.000 3.951 -0.440) 3.975 12.251 ( 0.000 -1.298 0.335) 1.341 12.251 ( 0.000 1.298 0.335) 1.341 12.514 ( 0.000 -1.970 1.130) 2.271 12.514 ( 0.000 1.970 1.130) 2.271 12.602 ( 0.000 -0.556 -1.244) 1.362 12.602 ( 0.000 0.556 -1.244) 1.362 13.284 ( 0.000 -2.794 -0.197) 2.801 13.284 ( 0.000 2.794 -0.197) 2.801 13.301 ( 0.000 -2.038 -0.156) 2.044 13.301 ( 0.000 2.038 -0.156) 2.044 13.536 ( 0.000 -1.544 0.001) 1.544 13.536 ( 0.000 1.544 0.001) 1.544 13.605 ( 0.000 -2.566 0.898) 2.719 13.605 ( 0.000 2.566 0.898) 2.719 14.009 ( 0.000 -1.361 -0.322) 1.399 14.009 ( 0.000 1.361 -0.322) 1.399 14.084 ( 0.000 -5.870 -0.889) 5.937 14.084 ( 0.000 5.870 -0.889) 5.937 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 1.164 -7.613 3.736) 8.560 1.632 ( 1.164 7.613 3.736) 8.560 1.810 ( -2.238 -4.920 -2.951) 6.158 1.810 ( -2.238 4.920 -2.951) 6.158 1.979 ( 12.713 -5.061 0.974) 13.718 1.979 ( 12.713 5.061 0.974) 13.718 2.282 ( 0.839 -8.577 -6.052) 10.530 2.282 ( 0.839 8.577 -6.052) 10.530 2.532 ( -4.664 -9.713 10.646) 15.147 2.532 ( -4.664 9.713 10.646) 15.147 2.712 ( -0.461 -8.036 0.823) 8.091 2.712 ( -0.461 8.036 0.823) 8.091 3.307 ( -0.218 -6.238 -1.508) 6.421 3.307 ( -0.218 6.238 -1.508) 6.421 3.580 ( -1.037 -4.251 -0.011) 4.376 3.580 ( -1.037 4.251 -0.011) 4.376 3.658 ( 8.655 -6.676 -0.537) 10.944 3.658 ( 8.655 6.676 -0.537) 10.944 3.967 ( -3.024 -2.234 -2.271) 4.392 3.967 ( -3.024 2.234 -2.271) 4.392 4.034 ( -0.797 -4.103 -0.479) 4.207 4.034 ( -0.797 4.103 -0.479) 4.207 4.479 ( -7.649 -2.190 1.580) 8.112 4.479 ( -7.649 2.190 1.580) 8.112 4.638 ( 0.193 -1.294 6.200) 6.336 4.638 ( 0.193 1.294 6.200) 6.336 5.117 ( -22.445 -0.835 -1.092) 22.487 5.117 ( -22.445 0.835 -1.092) 22.487 5.664 ( -3.022 -14.404 -2.461) 14.922 5.664 ( -3.022 14.404 -2.461) 14.922 5.783 ( -4.446 -12.262 0.555) 13.055 5.783 ( -4.446 12.262 0.555) 13.055 5.976 ( 13.184 -11.601 -1.987) 17.673 5.976 ( 13.184 11.601 -1.987) 17.673 6.111 ( 6.194 -13.913 -1.555) 15.309 6.111 ( 6.194 13.913 -1.555) 15.309 6.757 ( 13.212 -10.202 4.667) 17.333 6.757 ( 13.212 10.202 4.667) 17.333 7.155 ( 4.067 -8.659 -5.365) 10.968 7.155 ( 4.067 8.659 -5.365) 10.968 7.446 ( -1.521 -10.086 1.184) 10.269 7.446 ( -1.521 10.086 1.184) 10.269 7.709 ( -6.158 -5.544 0.784) 8.323 7.709 ( -6.158 5.544 0.784) 8.323 11.354 ( 1.787 -3.696 -0.163) 4.109 11.354 ( 1.787 3.696 -0.163) 4.109 11.512 ( -2.190 -3.180 -0.553) 3.901 11.512 ( -2.190 3.180 -0.553) 3.901 11.888 ( 0.049 -2.603 0.887) 2.750 11.888 ( 0.049 2.603 0.887) 2.750 11.935 ( -1.266 -1.155 0.273) 1.735 11.935 ( -1.266 1.155 0.273) 1.735 12.183 ( 1.218 -3.969 -0.413) 4.172 12.183 ( 1.218 3.969 -0.413) 4.172 12.246 ( -0.512 -2.069 0.198) 2.140 12.246 ( -0.512 2.069 0.198) 2.140 12.523 ( 0.887 -1.878 1.005) 2.307 12.523 ( 0.887 1.878 1.005) 2.307 12.593 ( -0.935 -0.853 -0.867) 1.534 12.593 ( -0.935 0.853 -0.867) 1.534 13.293 ( 0.982 -3.719 -0.347) 3.862 13.293 ( 0.982 3.719 -0.347) 3.862 13.312 ( 0.941 -2.565 -0.488) 2.775 13.312 ( 0.941 2.565 -0.488) 2.775 13.534 ( -0.133 -1.122 0.086) 1.133 13.534 ( -0.133 1.122 0.086) 1.133 13.591 ( -1.431 -2.223 0.724) 2.741 13.591 ( -1.431 2.223 0.724) 2.741 14.016 ( 0.716 -2.272 -0.254) 2.396 14.016 ( 0.716 2.272 -0.254) 2.396 14.076 ( -0.799 -5.666 -0.739) 5.770 14.076 ( -0.799 5.666 -0.739) 5.770 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 3.477 -6.985 1.833) 8.015 1.676 ( 3.477 6.985 1.833) 8.015 1.749 ( -4.050 -6.309 -0.939) 7.556 1.749 ( -4.050 6.309 -0.939) 7.556 2.235 ( 11.164 -8.257 2.489) 14.107 2.235 ( 11.164 8.257 2.489) 14.107 2.301 ( 0.824 -7.829 -0.503) 7.888 2.301 ( 0.824 7.829 -0.503) 7.888 2.483 ( 1.681 -13.295 6.886) 15.066 2.483 ( 1.681 13.295 6.886) 15.066 2.625 ( -8.925 -13.253 4.357) 16.561 2.625 ( -8.925 13.253 4.357) 16.561 3.370 ( 6.429 -8.136 -6.303) 12.135 3.370 ( 6.429 8.136 -6.303) 12.135 3.502 ( -6.562 -5.115 -4.194) 9.318 3.502 ( -6.562 5.116 -4.194) 9.318 3.809 ( 5.968 -4.228 0.849) 7.363 3.809 ( 5.968 4.228 0.849) 7.363 3.905 ( -4.500 -4.028 -1.363) 6.192 3.905 ( -4.500 4.028 -1.363) 6.192 4.078 ( 8.345 -1.860 -0.102) 8.550 4.078 ( 8.345 1.860 -0.102) 8.550 4.292 ( -12.442 -1.133 -1.682) 12.607 4.292 ( -12.442 1.133 -1.682) 12.607 4.659 ( 3.116 -1.053 6.396) 7.192 4.659 ( 3.116 1.053 6.396) 7.192 4.789 ( -12.141 -1.631 4.265) 12.971 4.789 ( -12.141 1.631 4.265) 12.971 5.643 ( 0.944 -14.314 -1.515) 14.425 5.643 ( 0.944 14.314 -1.515) 14.425 5.694 ( -4.344 -13.527 -0.556) 14.218 5.694 ( -4.344 13.527 -0.556) 14.218 6.146 ( 5.609 -14.685 -1.637) 15.805 6.146 ( 5.609 14.685 -1.637) 15.805 6.188 ( 1.165 -15.400 -1.309) 15.499 6.188 ( 1.165 15.400 -1.309) 15.499 7.031 ( 14.324 -8.981 1.104) 16.942 7.031 ( 14.324 8.981 1.104) 16.942 7.201 ( -2.325 -6.737 -2.654) 7.605 7.201 ( -2.325 6.737 -2.654) 7.605 7.436 ( 2.722 -6.770 0.144) 7.298 7.436 ( 2.722 6.770 0.144) 7.298 7.561 ( -8.998 -5.510 0.634) 10.570 7.561 ( -8.998 5.510 0.634) 10.570 11.399 ( 3.055 -4.014 -0.131) 5.046 11.399 ( 3.055 4.014 -0.131) 5.046 11.460 ( -3.311 -3.890 -0.272) 5.116 11.460 ( -3.311 3.890 -0.272) 5.116 11.893 ( 0.579 -1.645 0.818) 1.927 11.893 ( 0.579 1.645 0.818) 1.927 11.910 ( -1.254 -0.953 0.590) 1.682 11.910 ( -1.254 0.953 0.590) 1.682 12.209 ( 1.427 -3.743 -0.302) 4.017 12.209 ( 1.427 3.743 -0.302) 4.017 12.232 ( -1.055 -3.092 -0.080) 3.268 12.232 ( -1.055 3.092 -0.080) 3.268 12.544 ( 1.393 -1.633 0.606) 2.230 12.544 ( 1.393 1.633 0.606) 2.230 12.571 ( -1.427 -1.282 -0.080) 1.920 12.571 ( -1.427 1.282 -0.080) 1.920 13.314 ( 1.121 -4.122 -0.739) 4.335 13.314 ( 1.121 4.122 -0.739) 4.335 13.325 ( 0.157 -3.403 -0.886) 3.520 13.325 ( 0.157 3.403 -0.886) 3.520 13.537 ( 0.639 -0.682 0.266) 0.971 13.537 ( 0.639 0.682 0.266) 0.971 13.560 ( -1.694 -1.603 0.440) 2.373 13.560 ( -1.694 1.603 0.440) 2.373 14.034 ( 1.180 -3.787 -0.226) 3.973 14.034 ( 1.180 3.787 -0.226) 3.973 14.057 ( -1.235 -4.993 -0.427) 5.161 14.057 ( -1.235 4.993 -0.427) 5.161 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 0.000 2.373) 2.373 0.755 ( 0.000 0.000 1.711) 1.711 1.239 ( 0.000 0.000 13.534) 13.534 1.463 ( 0.000 0.000 15.474) 15.474 1.477 ( 0.000 0.000 -9.953) 9.953 1.722 ( 0.000 0.000 -10.127) 10.127 2.009 ( 0.000 0.000 11.737) 11.737 2.130 ( 0.000 0.000 -3.600) 3.600 2.205 ( 0.000 0.000 3.840) 3.840 2.271 ( 0.000 0.000 -1.879) 1.879 2.592 ( 0.000 0.000 1.598) 1.598 2.657 ( 0.000 0.000 -4.810) 4.810 2.731 ( 0.000 0.000 17.319) 17.319 3.030 ( 0.000 0.000 5.041) 5.041 3.131 ( 0.000 0.000 -17.494) 17.494 3.149 ( 0.000 0.000 -6.194) 6.194 3.466 ( 0.000 0.000 5.531) 5.531 3.616 ( 0.000 0.000 6.540) 6.540 3.634 ( 0.000 0.000 -6.461) 6.461 3.777 ( 0.000 0.000 -8.397) 8.397 3.882 ( 0.000 0.000 6.205) 6.205 4.070 ( 0.000 0.000 -7.895) 7.895 4.444 ( 0.000 0.000 5.656) 5.656 4.542 ( 0.000 0.000 -3.832) 3.832 4.689 ( 0.000 0.000 6.369) 6.369 4.697 ( 0.000 0.000 4.196) 4.196 4.964 ( 0.000 0.000 4.913) 4.913 4.970 ( 0.000 0.000 0.386) 0.386 5.131 ( 0.000 0.000 -4.010) 4.010 5.167 ( 0.000 0.000 -5.604) 5.604 5.258 ( 0.000 0.000 5.352) 5.352 5.492 ( 0.000 0.000 -11.516) 11.516 5.518 ( 0.000 0.000 2.535) 2.535 5.563 ( 0.000 0.000 -1.811) 1.811 6.190 ( 0.000 0.000 7.865) 7.865 6.354 ( 0.000 0.000 -7.296) 7.296 6.501 ( 0.000 0.000 0.991) 0.991 6.513 ( 0.000 0.000 -0.175) 0.175 6.901 ( 0.000 0.000 8.869) 8.869 7.052 ( 0.000 0.000 -5.916) 5.916 7.508 ( 0.000 0.000 -1.345) 1.345 7.517 ( 0.000 0.000 -2.097) 2.097 8.222 ( 0.000 0.000 1.997) 1.997 8.253 ( 0.000 0.000 -0.667) 0.667 11.528 ( 0.000 0.000 -0.239) 0.239 11.537 ( 0.000 0.000 -0.990) 0.990 11.580 ( 0.000 0.000 0.486) 0.486 11.590 ( 0.000 0.000 -0.437) 0.437 11.990 ( 0.000 0.000 4.558) 4.558 12.076 ( 0.000 0.000 -3.571) 3.571 12.204 ( 0.000 0.000 0.586) 0.586 12.212 ( 0.000 0.000 -0.178) 0.178 12.497 ( 0.000 0.000 1.980) 1.980 12.501 ( 0.000 0.000 3.700) 3.700 12.537 ( 0.000 0.000 -1.795) 1.795 12.583 ( 0.000 0.000 -3.713) 3.713 12.724 ( 0.000 0.000 1.608) 1.608 12.749 ( 0.000 0.000 -0.805) 0.805 12.767 ( 0.000 0.000 0.545) 0.545 12.773 ( 0.000 0.000 -0.098) 0.098 13.019 ( 0.000 0.000 0.501) 0.501 13.057 ( 0.000 0.000 -3.149) 3.149 13.464 ( 0.000 0.000 2.614) 2.614 13.530 ( 0.000 0.000 -3.768) 3.768 13.631 ( 0.000 0.000 6.509) 6.509 13.658 ( 0.000 0.000 0.099) 0.099 13.669 ( 0.000 0.000 -0.878) 0.878 13.769 ( 0.000 0.000 -6.704) 6.704 14.341 ( 0.000 0.000 1.179) 1.179 14.368 ( 0.000 0.000 -1.458) 1.458 14.696 ( 0.000 0.000 2.442) 2.442 14.736 ( 0.000 0.000 -1.364) 1.364 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.20 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.206 0.000 2.381) 2.390 0.754 ( -0.105 0.000 1.976) 1.979 1.206 ( -2.839 0.000 11.133) 11.489 1.374 ( -6.014 0.000 21.059) 21.901 1.403 ( -7.311 0.000 -8.234) 11.011 1.737 ( -7.313 0.000 -14.017) 15.810 2.089 ( 8.056 0.000 7.024) 10.688 2.199 ( 15.568 0.000 0.852) 15.592 2.223 ( 1.697 0.000 3.310) 3.719 2.273 ( 0.169 0.000 -1.043) 1.056 2.625 ( 3.691 0.000 1.055) 3.839 2.674 ( 2.162 0.000 -3.508) 4.121 2.836 ( 6.951 0.000 15.498) 16.985 2.987 ( -4.737 0.000 2.697) 5.451 3.068 ( -8.022 0.000 -4.789) 9.343 3.208 ( 4.073 0.000 -15.004) 15.547 3.441 ( -0.080 0.000 1.887) 1.888 3.537 ( -6.961 0.000 -4.900) 8.512 3.661 ( 4.429 0.000 6.057) 7.504 3.798 ( 1.564 0.000 -6.567) 6.751 3.868 ( -1.019 0.000 6.720) 6.797 4.053 ( -1.625 0.000 -8.447) 8.602 4.442 ( -0.028 0.000 4.442) 4.442 4.513 ( -15.766 0.000 6.045) 16.885 4.530 ( -1.364 0.000 -3.954) 4.183 4.609 ( -14.083 0.000 -2.187) 14.252 4.867 ( -4.225 0.000 6.412) 7.679 4.933 ( -1.230 0.000 4.694) 4.852 4.995 ( -3.151 0.000 -1.167) 3.360 5.103 ( -4.798 0.000 -8.534) 9.790 5.524 ( 11.544 0.000 3.725) 12.130 5.543 ( 2.413 0.000 1.996) 3.132 5.578 ( 1.423 0.000 -1.410) 2.003 5.612 ( 1.392 0.000 -3.621) 3.879 6.199 ( 10.363 0.000 5.425) 11.697 6.350 ( 3.992 0.000 -8.043) 8.979 6.500 ( -0.073 0.000 0.987) 0.990 6.511 ( -0.267 0.000 -0.033) 0.269 6.999 ( 3.353 0.000 4.226) 5.395 7.068 ( -1.012 0.000 -3.065) 3.228 7.502 ( 3.234 0.000 2.740) 4.239 7.588 ( 5.993 0.000 -5.354) 8.036 8.188 ( -3.536 0.000 1.847) 3.989 8.214 ( -3.862 0.000 -0.521) 3.897 11.540 ( 1.567 0.000 0.667) 1.703 11.565 ( 2.558 0.000 -1.689) 3.065 11.580 ( 0.060 0.000 0.395) 0.399 11.588 ( -0.140 0.000 -0.351) 0.378 11.924 ( -5.808 0.000 4.017) 7.062 12.014 ( -6.171 0.000 -4.533) 7.657 12.206 ( 0.172 0.000 0.520) 0.548 12.212 ( 0.016 0.000 -0.102) 0.103 12.501 ( 0.468 0.000 1.755) 1.816 12.534 ( -0.286 0.000 -1.329) 1.359 12.536 ( 3.271 0.000 3.874) 5.070 12.607 ( 1.736 0.000 -2.722) 3.229 12.725 ( 0.190 0.000 1.264) 1.278 12.747 ( -0.251 0.000 -0.740) 0.782 12.769 ( 0.223 0.000 0.552) 0.595 12.776 ( 0.223 0.000 -0.196) 0.297 13.043 ( 2.453 0.000 0.447) 2.493 13.078 ( 2.005 0.000 -2.850) 3.485 13.458 ( -0.454 0.000 3.221) 3.253 13.525 ( -0.744 0.000 -2.408) 2.520 13.619 ( -0.844 0.000 4.424) 4.504 13.657 ( -0.085 0.000 0.025) 0.089 13.666 ( -0.287 0.000 -0.772) 0.824 13.742 ( -2.715 0.000 -6.496) 7.041 14.355 ( 1.412 0.000 0.989) 1.724 14.378 ( 0.966 0.000 -1.248) 1.578 14.693 ( -0.288 0.000 2.030) 2.050 14.726 ( -1.008 0.000 -1.128) 1.513 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.40 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.056 0.000 2.627) 2.627 0.752 ( -0.055 0.000 2.515) 2.516 1.177 ( 0.879 0.000 4.521) 4.605 1.256 ( -7.269 0.000 -3.108) 7.906 1.333 ( 2.979 0.000 13.523) 13.847 1.494 ( -13.658 0.000 -1.490) 13.739 2.255 ( 1.536 0.000 2.052) 2.563 2.273 ( -0.362 0.000 0.539) 0.650 2.369 ( 17.011 0.000 8.501) 19.017 2.493 ( 9.946 0.000 2.569) 10.272 2.727 ( 7.223 0.000 -0.103) 7.224 2.748 ( 5.969 0.000 -1.937) 6.275 2.864 ( 0.029 0.000 2.588) 2.588 2.868 ( -7.572 0.000 -0.015) 7.572 2.896 ( -9.702 0.000 -2.443) 10.005 3.067 ( -16.286 0.000 -10.238) 19.237 3.552 ( 9.786 0.000 -2.822) 10.185 3.577 ( 6.921 0.000 -4.630) 8.327 3.752 ( 4.619 0.000 3.459) 5.771 3.807 ( -1.127 0.000 -1.486) 1.865 3.882 ( 4.922 0.000 6.500) 8.154 4.042 ( -0.105 0.000 -8.392) 8.392 4.188 ( -15.455 0.000 6.289) 16.686 4.293 ( -16.536 0.000 -3.934) 16.997 4.454 ( 1.515 0.000 0.647) 1.647 4.493 ( -2.433 0.000 -2.884) 3.773 4.868 ( 1.953 0.000 6.549) 6.834 4.908 ( -1.917 0.000 4.797) 5.166 4.962 ( 0.085 0.000 0.502) 0.509 5.008 ( -4.731 0.000 -1.371) 4.926 5.565 ( -1.096 0.000 0.127) 1.103 5.587 ( 1.871 0.000 0.798) 2.034 5.588 ( -2.032 0.000 -1.541) 2.550 5.600 ( 0.498 0.000 -0.441) 0.665 6.500 ( 0.118 0.000 0.808) 0.816 6.505 ( -0.358 0.000 0.372) 0.517 6.540 ( 20.368 0.000 0.210) 20.369 6.583 ( 18.266 0.000 -3.722) 18.642 6.891 ( -12.692 0.000 1.552) 12.787 6.937 ( -13.528 0.000 -2.744) 13.803 7.639 ( 8.476 0.000 2.284) 8.778 7.696 ( 3.239 0.000 -3.154) 4.521 8.117 ( -2.791 0.000 1.205) 3.040 8.133 ( -4.027 0.000 -0.304) 4.038 11.582 ( 0.136 0.000 0.160) 0.210 11.584 ( 2.863 0.000 1.383) 3.179 11.585 ( -0.185 0.000 -0.124) 0.222 11.609 ( 1.119 0.000 -0.729) 1.336 11.837 ( -1.828 0.000 0.591) 1.921 11.889 ( -6.302 0.000 -4.003) 7.466 12.210 ( 0.187 0.000 0.338) 0.386 12.212 ( -0.075 0.000 0.098) 0.123 12.513 ( 0.733 0.000 1.024) 1.259 12.526 ( -0.622 0.000 -0.169) 0.644 12.595 ( 2.645 0.000 2.420) 3.585 12.623 ( -0.283 0.000 -0.186) 0.339 12.731 ( 0.432 0.000 0.413) 0.598 12.740 ( -0.464 0.000 -0.381) 0.600 12.774 ( 0.308 0.000 0.188) 0.361 12.778 ( -0.074 0.000 -0.161) 0.178 13.093 ( 2.333 0.000 -0.171) 2.339 13.109 ( 0.742 0.000 -1.684) 1.841 13.460 ( 0.939 0.000 3.952) 4.062 13.494 ( -2.393 0.000 2.466) 3.436 13.626 ( 1.923 0.000 -2.161) 2.893 13.657 ( 0.056 0.000 -0.193) 0.201 13.660 ( -0.287 0.000 -0.502) 0.578 13.681 ( -3.599 0.000 -5.509) 6.580 14.383 ( 1.245 0.000 0.411) 1.312 14.392 ( 0.261 0.000 -0.523) 0.584 14.691 ( 0.240 0.000 0.919) 0.950 14.704 ( -1.128 0.000 -0.351) 1.181 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.12 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 14.662 1.598) 14.749 0.942 ( 0.000 16.165 -0.671) 16.179 1.446 ( 0.000 3.392 11.149) 11.653 1.556 ( 0.000 14.562 2.941) 14.856 1.802 ( 0.000 8.908 -0.679) 8.933 1.855 ( 0.000 19.143 -3.957) 19.548 2.008 ( 0.000 1.915 7.414) 7.658 2.131 ( 0.000 0.218 -5.217) 5.221 2.321 ( 0.000 14.168 6.299) 15.505 2.438 ( 0.000 21.416 -4.903) 21.970 2.699 ( 0.000 11.178 0.487) 11.189 2.723 ( 0.000 6.115 -2.335) 6.546 2.736 ( 0.000 2.419 17.100) 17.270 3.056 ( 0.000 -3.152 -9.446) 9.958 3.105 ( 0.000 5.873 2.335) 6.320 3.217 ( 0.000 3.305 -9.752) 10.297 3.466 ( 0.000 0.523 5.067) 5.094 3.605 ( 0.000 0.628 -4.463) 4.507 3.817 ( 0.000 7.072 9.463) 11.814 3.924 ( 0.000 13.344 0.073) 13.345 3.970 ( 0.000 18.342 -6.556) 19.478 4.064 ( 0.000 0.454 -7.999) 8.012 4.418 ( 0.000 -3.101 6.396) 7.108 4.531 ( 0.000 -1.981 -4.258) 4.696 4.703 ( 0.000 2.130 6.993) 7.311 4.731 ( 0.000 4.251 3.411) 5.450 4.859 ( 0.000 -9.430 2.337) 9.715 4.887 ( 0.000 -9.503 -0.670) 9.527 5.028 ( 0.000 -5.521 1.584) 5.744 5.138 ( 0.000 -2.081 3.725) 4.267 5.218 ( 0.000 -1.850 -5.459) 5.764 5.396 ( 0.000 -2.660 -9.698) 10.056 5.701 ( 0.000 10.461 1.268) 10.537 5.740 ( 0.000 12.913 -2.364) 13.128 6.139 ( 0.000 -4.090 5.316) 6.707 6.250 ( 0.000 -6.590 -4.807) 8.157 6.576 ( 0.000 6.592 3.904) 7.661 6.650 ( 0.000 9.774 -3.023) 10.231 6.883 ( 0.000 -1.816 9.070) 9.250 7.041 ( 0.000 -1.065 -6.333) 6.422 7.486 ( 0.000 -2.238 -0.848) 2.394 7.505 ( 0.000 -1.230 -2.443) 2.735 8.189 ( 0.000 -3.371 1.993) 3.916 8.220 ( 0.000 -3.391 -0.637) 3.450 11.470 ( 0.000 -4.833 0.233) 4.838 11.485 ( 0.000 -4.171 -1.161) 4.330 11.589 ( 0.000 -0.072 0.196) 0.209 11.594 ( 0.000 -0.589 -0.267) 0.647 11.966 ( 0.000 -2.061 4.000) 4.500 12.043 ( 0.000 -2.944 -3.232) 4.371 12.188 ( 0.000 -1.942 0.171) 1.949 12.189 ( 0.000 -2.462 0.035) 2.462 12.445 ( 0.000 -5.994 4.228) 7.335 12.499 ( 0.000 -0.033 1.937) 1.938 12.539 ( 0.000 -4.848 -4.218) 6.426 12.539 ( 0.000 -0.096 -1.796) 1.799 12.639 ( 0.000 -6.131 0.753) 6.177 12.651 ( 0.000 -6.532 -0.333) 6.540 12.749 ( 0.000 -2.565 0.251) 2.578 12.751 ( 0.000 -2.409 0.023) 2.409 13.096 ( 0.000 5.647 0.715) 5.692 13.125 ( 0.000 5.318 -2.162) 5.741 13.444 ( 0.000 -1.967 2.783) 3.408 13.513 ( 0.000 -1.724 -3.972) 4.330 13.605 ( 0.000 -2.346 5.491) 5.972 13.654 ( 0.000 -0.614 0.717) 0.944 13.661 ( 0.000 -0.824 -1.052) 1.337 13.738 ( 0.000 -3.115 -6.139) 6.884 14.264 ( 0.000 -7.334 1.367) 7.460 14.293 ( 0.000 -7.189 -1.487) 7.341 14.608 ( 0.000 -8.732 2.621) 9.117 14.651 ( 0.000 -8.316 -1.617) 8.472 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.12 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.118 14.689 1.518) 14.768 0.937 ( -0.575 15.723 -0.092) 15.734 1.401 ( -1.940 7.544 17.216) 18.896 1.627 ( 1.971 19.400 -0.165) 19.501 1.737 ( -8.384 18.821 -0.816) 20.621 1.846 ( -3.208 15.030 -7.320) 17.023 2.071 ( 5.963 -1.202 5.205) 8.006 2.135 ( 9.526 -2.632 1.744) 10.036 2.345 ( 2.939 10.763 2.049) 11.344 2.411 ( -1.946 17.180 -3.238) 17.590 2.720 ( 2.320 9.468 0.466) 9.759 2.742 ( 2.708 6.380 -1.607) 7.115 2.842 ( 7.072 3.662 14.684) 16.705 3.056 ( -2.285 1.214 -3.279) 4.177 3.084 ( -3.432 6.379 0.824) 7.290 3.242 ( 1.517 3.698 -12.797) 13.407 3.446 ( 0.200 0.673 2.218) 2.326 3.535 ( -4.820 0.540 -4.103) 6.353 3.816 ( 0.220 4.131 8.353) 9.321 3.919 ( -0.238 14.655 1.433) 14.727 3.979 ( 0.738 14.951 -4.909) 15.754 4.049 ( -1.337 2.836 -7.874) 8.476 4.416 ( -0.750 -2.652 4.364) 5.161 4.498 ( -5.476 -2.211 -1.964) 6.223 4.530 ( -12.966 0.692 4.919) 13.885 4.629 ( -14.439 2.075 -2.795) 14.853 4.806 ( -0.799 -4.547 5.047) 6.839 4.858 ( 0.502 -6.773 2.266) 7.160 4.972 ( -2.761 -1.713 0.913) 3.375 5.073 ( -5.506 -2.224 -7.426) 9.508 5.309 ( 6.346 -9.311 6.562) 13.039 5.440 ( -2.129 -6.168 -4.953) 8.192 5.777 ( 3.890 10.719 0.891) 11.438 5.804 ( 2.579 11.014 -1.553) 11.418 6.200 ( 13.205 0.558 4.229) 13.876 6.309 ( 8.662 -2.254 -5.289) 10.397 6.534 ( -1.718 3.055 2.588) 4.356 6.593 ( -3.736 6.370 -3.090) 8.005 7.005 ( 4.961 0.720 4.651) 6.839 7.079 ( 0.261 1.176 -3.009) 3.241 7.479 ( 2.340 -2.360 2.443) 4.125 7.559 ( 5.283 -2.948 -5.149) 7.945 8.155 ( -3.533 -3.371 1.826) 5.214 8.181 ( -3.865 -3.401 -0.500) 5.173 11.482 ( 1.399 -4.700 0.856) 4.978 11.508 ( 2.132 -4.302 -1.585) 5.056 11.588 ( -0.186 -0.776 0.211) 0.826 11.592 ( -0.134 -0.597 -0.242) 0.658 11.911 ( -4.740 -1.003 3.362) 5.897 11.990 ( -5.334 -2.188 -4.022) 7.030 12.188 ( 0.078 -2.022 0.228) 2.037 12.190 ( 0.064 -2.388 0.063) 2.389 12.452 ( 0.837 -5.053 3.636) 6.281 12.510 ( -0.739 -2.554 -1.543) 3.074 12.533 ( 2.522 -1.091 2.115) 3.468 12.588 ( 2.822 -3.174 -2.663) 5.013 12.636 ( -0.397 -6.031 0.695) 6.084 12.650 ( -0.011 -6.382 -0.531) 6.404 12.749 ( -0.002 -2.560 0.241) 2.572 12.753 ( 0.055 -2.564 -0.112) 2.567 13.116 ( 2.004 5.379 0.628) 5.774 13.143 ( 1.658 5.035 -1.976) 5.658 13.440 ( -0.217 -1.735 3.254) 3.694 13.509 ( -0.637 -1.640 -2.556) 3.103 13.596 ( -0.563 -2.095 3.716) 4.302 13.651 ( -0.208 -0.688 0.318) 0.786 13.657 ( -0.342 -0.874 -0.932) 1.322 13.715 ( -2.375 -2.735 -5.912) 6.934 14.275 ( 1.124 -7.658 1.168) 7.828 14.300 ( 0.620 -7.562 -1.228) 7.686 14.606 ( -0.084 -8.526 2.156) 8.795 14.642 ( -0.907 -8.209 -1.336) 8.367 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.12 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.027 14.529 1.116) 14.572 0.926 ( -0.515 14.825 0.657) 14.849 1.413 ( 3.904 9.338 12.243) 15.885 1.544 ( -9.273 8.638 0.003) 12.673 1.638 ( -0.447 30.505 2.670) 30.624 1.701 ( -7.447 26.408 -2.837) 27.584 2.309 ( 5.477 5.008 5.759) 9.393 2.329 ( 14.064 -2.491 7.419) 16.095 2.375 ( 0.796 12.358 -0.949) 12.419 2.473 ( 7.133 0.225 -1.476) 7.288 2.764 ( 0.773 4.164 0.593) 4.276 2.795 ( 1.344 2.651 -2.371) 3.803 2.895 ( 2.131 7.388 4.075) 8.702 2.976 ( -3.661 8.627 -0.975) 9.422 2.991 ( -5.436 8.653 -1.158) 10.284 3.100 ( -13.854 4.121 -9.028) 17.042 3.568 ( 11.018 1.642 -2.133) 11.342 3.597 ( 7.678 1.889 -4.372) 9.035 3.830 ( 2.307 -0.979 6.202) 6.689 3.922 ( 0.737 11.524 1.800) 11.687 3.988 ( -1.153 13.193 -1.630) 13.344 3.997 ( -5.786 -3.821 -6.404) 9.438 4.238 ( -9.162 9.000 4.763) 13.698 4.299 ( -12.746 3.424 -1.362) 13.268 4.444 ( 0.261 -1.354 -0.665) 1.531 4.475 ( -2.632 -2.416 -3.201) 4.797 4.824 ( 1.776 -3.815 5.745) 7.121 4.856 ( -1.208 -4.747 4.015) 6.334 4.942 ( -0.056 -1.845 0.667) 1.963 4.980 ( -4.204 -2.493 -1.571) 5.134 5.368 ( 0.958 -9.616 1.851) 9.840 5.385 ( -1.824 -8.207 0.351) 8.414 5.795 ( 0.171 9.629 -0.512) 9.644 5.807 ( -0.996 9.852 -1.449) 10.007 6.492 ( 3.316 -0.579 0.258) 3.376 6.500 ( 3.916 0.100 -0.234) 3.925 6.594 ( 15.118 4.602 0.303) 15.806 6.629 ( 15.238 4.500 -3.061) 16.181 6.918 ( -12.017 2.779 1.719) 12.453 6.962 ( -13.025 2.693 -2.468) 13.527 7.604 ( 8.256 -3.536 2.347) 9.283 7.661 ( 3.138 -3.622 -3.021) 5.665 8.084 ( -2.790 -3.374 1.167) 4.532 8.100 ( -4.004 -3.407 -0.305) 5.266 11.519 ( 2.344 -4.503 1.350) 5.253 11.543 ( 0.646 -3.864 -0.548) 3.956 11.583 ( 0.017 -2.674 -0.048) 2.674 11.590 ( -0.259 -1.334 -0.418) 1.422 11.843 ( -1.351 0.611 0.398) 1.535 11.883 ( -5.113 -0.405 -3.257) 6.075 12.190 ( 0.086 -2.147 0.213) 2.159 12.191 ( -0.001 -2.286 0.135) 2.290 12.471 ( 1.194 -3.916 1.928) 4.525 12.493 ( -1.074 -3.068 -0.094) 3.252 12.585 ( 2.538 -2.993 2.528) 4.668 12.619 ( -1.040 -2.452 1.168) 2.908 12.631 ( 1.340 -6.884 -1.499) 7.171 12.648 ( -0.371 -5.533 -1.230) 5.680 12.750 ( 0.111 -2.676 0.025) 2.678 12.752 ( -0.106 -2.703 -0.176) 2.711 13.156 ( 1.854 4.736 0.054) 5.087 13.168 ( 0.615 4.562 -1.162) 4.748 13.446 ( 1.142 -1.288 3.774) 4.148 13.481 ( -2.236 -1.259 2.161) 3.355 13.605 ( 1.795 -2.022 -2.186) 3.478 13.646 ( -1.201 -1.709 -2.149) 2.997 13.650 ( 0.008 -0.717 -0.177) 0.738 13.663 ( -2.343 -1.359 -3.515) 4.438 14.298 ( 1.067 -8.190 0.551) 8.277 14.308 ( 0.029 -8.173 -0.425) 8.185 14.608 ( 0.422 -8.129 0.927) 8.193 14.623 ( -1.078 -8.028 -0.454) 8.112 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.25 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 15.647 0.600) 15.658 1.241 ( 0.000 13.478 -0.853) 13.505 1.578 ( 0.000 9.696 7.664) 12.360 1.716 ( 0.000 7.393 -5.315) 9.105 1.902 ( 0.000 2.990 11.314) 11.703 1.997 ( 0.000 -0.409 -0.604) 0.729 2.028 ( 0.000 -1.730 -0.082) 1.732 2.141 ( 0.000 1.458 -7.828) 7.962 2.505 ( 0.000 2.185 2.729) 3.496 2.608 ( 0.000 -3.518 -7.576) 8.353 2.830 ( 0.000 5.467 15.531) 16.466 3.004 ( 0.000 -1.676 -0.775) 1.847 3.184 ( 0.000 25.762 2.460) 25.879 3.207 ( 0.000 7.758 -1.128) 7.839 3.233 ( 0.000 32.673 -0.818) 32.684 3.290 ( 0.000 5.347 -8.871) 10.358 3.528 ( 0.000 9.245 3.990) 10.070 3.624 ( 0.000 0.827 -0.858) 1.192 3.833 ( 0.000 1.345 4.124) 4.338 4.016 ( 0.000 -2.594 -8.678) 9.058 4.199 ( 0.000 -6.979 5.593) 8.944 4.304 ( 0.000 -7.366 -4.361) 8.560 4.457 ( 0.000 17.744 1.933) 17.849 4.516 ( 0.000 11.536 -2.453) 11.794 4.707 ( 0.000 -2.114 2.477) 3.257 4.751 ( 0.000 4.058 -1.162) 4.221 4.793 ( 0.000 4.629 10.618) 11.583 4.912 ( 0.000 13.078 2.528) 13.320 5.025 ( 0.000 8.659 1.484) 8.786 5.129 ( 0.000 2.363 -1.436) 2.765 5.216 ( 0.000 4.571 -5.012) 6.783 5.367 ( 0.000 -0.063 -9.982) 9.982 5.882 ( 0.000 7.236 3.729) 8.140 5.959 ( 0.000 8.980 -3.326) 9.576 6.066 ( 0.000 -3.268 2.964) 4.412 6.142 ( 0.000 -4.659 -3.838) 6.036 6.716 ( 0.000 7.165 6.670) 9.789 6.830 ( 0.000 5.131 -1.282) 5.288 6.839 ( 0.000 0.569 6.345) 6.370 7.013 ( 0.000 -1.700 -7.367) 7.561 7.427 ( 0.000 -3.617 0.772) 3.698 7.474 ( 0.000 -1.615 -3.380) 3.746 8.090 ( 0.000 -7.066 2.052) 7.358 8.121 ( 0.000 -6.879 -0.670) 6.912 11.371 ( 0.000 -4.692 0.985) 4.794 11.400 ( 0.000 -4.059 -1.798) 4.440 11.557 ( 0.000 -2.848 0.611) 2.912 11.569 ( 0.000 -1.802 -0.502) 1.871 11.932 ( 0.000 -0.981 2.606) 2.784 11.987 ( 0.000 -2.323 -2.446) 3.373 12.115 ( 0.000 -6.009 0.011) 6.009 12.115 ( 0.000 -5.211 0.100) 5.212 12.298 ( 0.000 -7.505 4.590) 8.797 12.397 ( 0.000 -8.151 -4.502) 9.311 12.482 ( 0.000 -3.817 0.952) 3.934 12.494 ( 0.000 -6.027 -0.084) 6.027 12.545 ( 0.000 -2.714 0.903) 2.861 12.569 ( 0.000 -1.183 -1.327) 1.777 12.678 ( 0.000 -4.498 0.439) 4.519 12.685 ( 0.000 -4.158 -0.272) 4.167 13.191 ( 0.000 3.887 1.365) 4.120 13.219 ( 0.000 3.990 -1.339) 4.209 13.394 ( 0.000 -3.152 2.658) 4.123 13.461 ( 0.000 -3.840 -3.900) 5.473 13.556 ( 0.000 -2.202 3.556) 4.182 13.630 ( 0.000 -3.072 -2.894) 4.221 13.634 ( 0.000 -1.325 0.972) 1.643 13.666 ( 0.000 -2.982 -2.744) 4.052 14.104 ( 0.000 -7.752 1.386) 7.875 14.131 ( 0.000 -8.265 -1.281) 8.364 14.391 ( 0.000 -12.593 2.825) 12.906 14.443 ( 0.000 -12.371 -2.135) 12.554 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.25 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -0.323 15.229 0.890) 15.259 1.240 ( -0.491 14.749 -0.274) 14.760 1.612 ( 3.659 13.694 11.911) 18.514 1.804 ( 3.581 7.049 -5.667) 9.728 1.974 ( -1.267 1.036 1.088) 1.966 1.994 ( 4.612 4.730 1.860) 6.863 2.049 ( 5.377 -1.122 2.672) 6.108 2.117 ( 3.827 0.558 -2.949) 4.864 2.475 ( -2.187 0.891 2.079) 3.146 2.580 ( -2.672 -2.226 -7.602) 8.360 2.877 ( 3.841 3.276 10.959) 12.065 3.002 ( 0.091 3.334 0.443) 3.364 3.156 ( -1.659 11.040 1.867) 11.319 3.248 ( 0.692 20.442 1.081) 20.482 3.279 ( 6.447 28.583 -1.366) 29.333 3.354 ( 0.798 7.970 -7.272) 10.818 3.490 ( -1.907 7.437 1.979) 7.929 3.556 ( -3.944 1.428 -2.767) 5.025 3.822 ( -0.939 1.226 4.652) 4.901 3.969 ( -4.463 -3.308 -5.746) 7.992 4.203 ( -0.837 -5.660 0.521) 5.746 4.230 ( -7.172 -6.099 -1.273) 9.501 4.403 ( -6.306 4.646 1.489) 7.973 4.464 ( -5.100 4.065 -2.938) 7.153 4.690 ( -2.186 12.735 4.067) 13.546 4.734 ( -2.036 19.028 1.555) 19.199 4.775 ( -0.113 1.014 3.228) 3.386 4.843 ( -4.499 9.696 1.531) 10.798 4.972 ( -4.454 3.344 1.459) 5.758 5.052 ( -7.139 2.034 -6.149) 9.639 5.220 ( 2.689 3.361 5.406) 6.910 5.345 ( -3.664 -3.050 -5.977) 7.646 5.926 ( 0.967 4.195 0.525) 4.336 5.963 ( 0.043 4.344 -2.717) 5.124 6.236 ( 18.140 2.701 2.694) 18.537 6.296 ( 13.951 0.734 -2.713) 14.231 6.600 ( -3.389 3.655 4.889) 6.982 6.713 ( -6.581 5.840 -5.671) 10.467 7.033 ( 9.335 2.177 5.746) 11.175 7.117 ( 3.657 2.755 -2.736) 5.333 7.415 ( -0.023 -3.924 1.572) 4.227 7.480 ( 2.439 -4.985 -4.603) 7.210 8.056 ( -3.555 -7.096 1.807) 8.139 8.082 ( -3.982 -7.005 -0.509) 8.074 11.386 ( 1.568 -4.574 1.342) 5.019 11.421 ( 2.051 -4.158 -2.024) 5.059 11.543 ( -1.446 -3.221 1.054) 3.684 11.564 ( -0.686 -2.242 -0.950) 2.530 11.899 ( -2.864 -0.108 1.965) 3.475 11.949 ( -3.729 -1.648 -2.794) 4.942 12.114 ( 0.239 -5.556 0.533) 5.587 12.120 ( 0.197 -5.106 -0.105) 5.111 12.319 ( 2.098 -7.359 4.566) 8.911 12.412 ( 1.262 -7.645 -4.031) 8.734 12.466 ( -2.190 -6.345 1.160) 6.812 12.478 ( -0.527 -5.369 -0.125) 5.396 12.565 ( 1.563 -2.382 0.796) 2.958 12.585 ( 1.365 -1.395 -1.040) 2.212 12.678 ( 0.025 -4.435 0.347) 4.449 12.685 ( -0.062 -4.170 -0.315) 4.183 13.205 ( 1.375 3.507 1.197) 3.953 13.231 ( 1.052 3.667 -1.292) 4.028 13.396 ( 0.387 -2.753 2.844) 3.977 13.460 ( -0.161 -3.543 -3.015) 4.655 13.551 ( -0.308 -2.072 2.454) 3.226 13.620 ( -0.996 -3.317 -2.832) 4.474 13.633 ( -0.272 -1.466 0.367) 1.535 13.655 ( -1.022 -2.344 -2.145) 3.338 14.107 ( 0.288 -8.253 1.201) 8.345 14.129 ( -0.234 -8.723 -0.964) 8.779 14.395 ( 0.420 -12.301 2.244) 12.511 14.437 ( -0.620 -12.183 -1.747) 12.323 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.25 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.130 15.044 0.599) 15.056 1.226 ( -0.768 15.250 -0.078) 15.270 1.686 ( 4.144 18.270 10.026) 21.248 1.766 ( -4.511 13.957 2.691) 14.913 1.935 ( -1.411 2.851 -0.475) 3.216 1.956 ( -3.623 3.820 -1.820) 5.571 2.275 ( 14.144 -1.842 6.348) 15.612 2.350 ( 9.453 -0.445 4.478) 10.469 2.471 ( 2.981 -3.020 -3.221) 5.327 2.530 ( -2.337 -1.722 -5.768) 6.458 2.920 ( 0.794 5.499 3.606) 6.624 2.990 ( -3.563 6.428 -0.524) 7.368 3.125 ( -0.054 7.085 2.817) 7.625 3.214 ( -9.704 7.327 -1.662) 12.272 3.247 ( 0.134 24.332 -0.853) 24.347 3.285 ( -4.177 25.655 -3.218) 26.191 3.606 ( 12.436 2.769 -1.084) 12.786 3.641 ( 10.052 3.052 -3.976) 11.232 3.791 ( -3.344 -0.638 2.412) 4.172 3.878 ( -6.647 -5.227 -4.534) 9.595 4.046 ( -7.791 0.842 3.275) 8.493 4.106 ( -9.797 -0.366 -2.984) 10.247 4.335 ( 0.813 -6.396 0.166) 6.449 4.378 ( -3.382 -6.809 -3.522) 8.379 4.670 ( 0.389 27.630 3.693) 27.878 4.691 ( -1.651 29.158 1.731) 29.256 4.778 ( 0.313 0.569 4.080) 4.132 4.796 ( -1.811 0.881 3.462) 4.005 4.913 ( -1.234 0.934 -0.213) 1.562 4.938 ( -4.257 -0.190 -2.105) 4.753 5.260 ( 1.708 0.399 2.307) 2.898 5.291 ( -1.898 -0.304 -0.318) 1.948 5.935 ( 0.574 4.689 -0.514) 4.752 5.951 ( -1.046 4.951 -1.872) 5.395 6.471 ( 3.231 -2.275 0.218) 3.957 6.493 ( 2.576 -1.577 -1.580) 3.409 6.711 ( 15.512 7.458 0.898) 17.235 6.749 ( 13.454 7.906 -2.804) 15.855 7.000 ( -10.513 5.758 1.970) 12.147 7.043 ( -11.710 5.570 -1.990) 13.119 7.506 ( 7.743 -6.578 2.474) 10.457 7.560 ( 3.010 -6.759 -2.693) 7.874 7.984 ( -2.889 -7.244 1.068) 7.871 7.999 ( -4.053 -7.282 -0.307) 8.339 11.426 ( 2.663 -4.421 1.694) 5.432 11.457 ( 0.678 -4.224 -0.753) 4.344 11.515 ( -0.482 -3.884 0.259) 3.922 11.540 ( -1.850 -3.280 -1.610) 4.096 11.859 ( -0.806 0.996 0.176) 1.293 11.880 ( -2.979 0.161 -1.820) 3.494 12.119 ( 0.218 -5.154 0.374) 5.172 12.122 ( -0.037 -4.968 0.111) 4.969 12.365 ( 2.717 -6.786 3.709) 8.197 12.413 ( -2.215 -5.372 1.290) 5.952 12.444 ( 0.945 -8.814 -1.550) 8.999 12.464 ( -0.991 -7.238 -1.460) 7.450 12.593 ( 1.220 -1.955 0.647) 2.394 12.602 ( 0.276 -1.840 -0.221) 1.873 12.679 ( 0.128 -4.304 0.008) 4.306 12.682 ( -0.184 -4.198 -0.305) 4.213 13.232 ( 1.318 2.837 0.523) 3.172 13.245 ( 0.115 2.909 -0.649) 2.983 13.414 ( 1.576 -2.063 2.581) 3.661 13.446 ( -1.531 -2.500 0.393) 2.958 13.559 ( 1.306 -2.403 -1.342) 3.047 13.592 ( -1.958 -3.322 -3.511) 5.215 13.629 ( 0.006 -1.565 0.153) 1.572 13.636 ( -0.825 -1.639 -0.718) 1.970 14.114 ( 0.477 -9.143 0.645) 9.179 14.123 ( -0.423 -9.357 -0.187) 9.368 14.406 ( 0.774 -11.859 0.850) 11.915 14.422 ( -0.901 -11.852 -0.662) 11.905 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.38 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 11.965 2.113) 12.150 1.515 ( 0.000 14.050 -1.536) 14.133 1.769 ( 0.000 8.654 5.215) 10.104 1.865 ( 0.000 4.766 -1.915) 5.136 1.908 ( 0.000 -7.605 0.013) 7.605 1.937 ( 0.000 0.438 0.506) 0.669 1.970 ( 0.000 -1.830 2.514) 3.110 2.171 ( 0.000 -0.718 -11.024) 11.048 2.542 ( 0.000 2.899 -0.861) 3.024 2.550 ( 0.000 0.122 -2.398) 2.401 2.903 ( 0.000 1.543 11.033) 11.140 2.950 ( 0.000 -3.371 5.088) 6.103 3.299 ( 0.000 5.826 0.715) 5.870 3.367 ( 0.000 3.661 -3.472) 5.045 3.426 ( 0.000 4.111 3.938) 5.693 3.569 ( 0.000 1.389 5.419) 5.594 3.631 ( 0.000 1.237 -4.287) 4.462 3.788 ( 0.000 2.475 -3.303) 4.127 3.945 ( 0.000 -6.823 1.284) 6.943 3.973 ( 0.000 3.240 0.915) 3.367 3.982 ( 0.000 -2.127 0.105) 2.130 4.017 ( 0.000 -9.112 -6.374) 11.121 4.582 ( 0.000 -0.161 -0.218) 0.271 4.589 ( 0.000 -0.144 -0.052) 0.153 4.817 ( 0.000 0.351 13.850) 13.855 4.848 ( 0.000 3.357 12.380) 12.828 5.103 ( 0.000 16.650 -10.252) 19.553 5.155 ( 0.000 0.993 -17.131) 17.159 5.227 ( 0.000 26.467 2.296) 26.566 5.299 ( 0.000 15.721 -5.149) 16.543 5.526 ( 0.000 19.377 3.362) 19.667 5.585 ( 0.000 25.409 -1.992) 25.487 5.955 ( 0.000 0.103 5.854) 5.855 5.993 ( 0.000 -5.511 1.513) 5.715 6.040 ( 0.000 -7.500 -2.552) 7.922 6.064 ( 0.000 1.288 -4.410) 4.594 6.786 ( 0.000 -1.984 9.464) 9.669 6.811 ( 0.000 1.222 6.959) 7.065 6.947 ( 0.000 2.787 -5.380) 6.059 6.985 ( 0.000 -1.170 -8.548) 8.628 7.388 ( 0.000 1.742 3.717) 4.105 7.472 ( 0.000 2.539 -3.910) 4.662 7.910 ( 0.000 -11.357 2.340) 11.595 7.950 ( 0.000 -10.787 -1.139) 10.847 11.317 ( 0.000 -0.559 1.264) 1.382 11.349 ( 0.000 -1.122 -1.840) 2.155 11.514 ( 0.000 -0.853 0.965) 1.288 11.537 ( 0.000 -1.058 -1.219) 1.614 11.928 ( 0.000 0.253 1.204) 1.231 11.957 ( 0.000 -1.909 -1.451) 2.398 11.975 ( 0.000 -5.983 1.851) 6.263 12.000 ( 0.000 -6.071 -0.571) 6.098 12.190 ( 0.000 -3.721 2.316) 4.383 12.248 ( 0.000 -6.777 -3.088) 7.447 12.345 ( 0.000 -8.035 0.689) 8.065 12.352 ( 0.000 -7.775 -0.083) 7.775 12.529 ( 0.000 0.021 1.645) 1.645 12.560 ( 0.000 -0.291 -1.186) 1.221 12.596 ( 0.000 -3.370 0.378) 3.391 12.611 ( 0.000 -3.051 -0.869) 3.172 13.245 ( 0.000 1.955 1.416) 2.414 13.271 ( 0.000 1.359 -0.984) 1.677 13.330 ( 0.000 -3.002 1.422) 3.322 13.369 ( 0.000 -5.085 -2.298) 5.580 13.535 ( 0.000 -0.102 1.039) 1.044 13.562 ( 0.000 -2.538 -1.671) 3.039 13.613 ( 0.000 -0.554 1.388) 1.494 13.637 ( 0.000 -0.848 -0.997) 1.309 14.006 ( 0.000 -1.991 0.347) 2.021 14.015 ( 0.000 -3.202 -0.557) 3.250 14.166 ( 0.000 -9.705 2.213) 9.954 14.212 ( 0.000 -10.620 -2.196) 10.845 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.38 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.263 12.145 2.205) 12.346 1.519 ( -0.406 13.637 -1.226) 13.698 1.829 ( 4.231 1.562 3.537) 5.732 1.884 ( 1.977 -0.133 -0.838) 2.152 1.940 ( 2.767 0.488 4.707) 5.482 2.026 ( 9.710 2.020 -1.977) 10.114 2.073 ( 11.750 2.298 2.238) 12.180 2.181 ( 1.826 3.674 -7.924) 8.923 2.499 ( -3.834 4.141 1.791) 5.921 2.546 ( -2.013 2.049 -3.195) 4.296 2.880 ( 0.632 -3.201 7.059) 7.777 2.962 ( 0.692 -5.660 3.723) 6.810 3.258 ( -2.572 4.222 3.104) 5.837 3.397 ( -1.392 -1.446 4.331) 4.773 3.446 ( -1.265 4.537 -5.407) 7.171 3.571 ( -5.208 0.529 -9.343) 10.709 3.606 ( 4.833 3.941 7.614) 9.842 3.774 ( -0.730 4.194 -4.634) 6.292 3.914 ( -2.304 -1.294 1.147) 2.880 3.927 ( -3.116 -2.842 0.349) 4.232 3.996 ( 1.155 -1.292 0.785) 1.902 4.039 ( 1.556 -4.371 -4.065) 6.169 4.455 ( -10.928 1.771 1.093) 11.124 4.493 ( -10.231 -0.054 -2.299) 10.486 4.790 ( -1.413 0.692 9.185) 9.319 4.874 ( -0.319 -1.848 11.169) 11.325 4.981 ( -8.736 5.255 -7.632) 12.735 5.033 ( -10.896 5.148 -2.855) 12.384 5.216 ( -0.878 25.154 0.927) 25.186 5.319 ( 3.489 18.380 -9.666) 21.058 5.479 ( -4.870 22.412 5.529) 23.593 5.562 ( -2.655 24.745 -2.481) 25.011 5.939 ( 1.973 -2.529 -0.161) 3.212 5.971 ( 1.906 -2.696 -3.131) 4.550 6.231 ( 13.892 -5.511 2.452) 15.145 6.278 ( 11.708 -4.991 -1.866) 12.864 6.695 ( 1.751 7.182 6.447) 9.809 6.839 ( -1.930 8.146 -7.105) 10.980 7.043 ( 13.579 -3.929 6.430) 15.530 7.153 ( 8.052 -1.147 -3.952) 9.043 7.362 ( -1.743 0.736 2.046) 2.787 7.424 ( -4.834 2.131 -3.455) 6.312 7.873 ( -3.817 -11.686 1.984) 12.452 7.906 ( -4.539 -11.203 -0.841) 12.117 11.333 ( 1.713 -0.483 1.444) 2.292 11.368 ( 1.940 -1.191 -1.931) 2.985 11.496 ( -1.920 -0.974 1.240) 2.485 11.525 ( -1.437 -1.417 -1.521) 2.527 11.905 ( -1.824 0.479 0.890) 2.085 11.927 ( -2.458 -1.082 -1.179) 2.933 11.989 ( 0.942 -5.936 1.527) 6.201 12.008 ( 0.361 -5.970 -0.337) 5.990 12.206 ( 1.605 -4.082 2.422) 5.010 12.263 ( 1.381 -6.901 -2.836) 7.588 12.327 ( -1.653 -7.300 1.133) 7.570 12.345 ( -0.798 -7.562 -0.657) 7.633 12.539 ( 0.987 -0.506 1.441) 1.819 12.565 ( 0.467 -0.642 -1.000) 1.277 12.597 ( 0.109 -3.423 0.450) 3.454 12.610 ( -0.084 -3.092 -0.753) 3.183 13.252 ( 0.763 1.733 1.287) 2.290 13.277 ( 0.460 1.205 -0.952) 1.603 13.339 ( 1.005 -2.882 1.170) 3.269 13.374 ( 0.466 -4.918 -2.155) 5.390 13.532 ( -0.205 0.042 0.856) 0.881 13.556 ( -0.588 -2.189 -1.499) 2.718 13.605 ( -0.771 -1.117 1.106) 1.751 13.625 ( -1.275 -1.294 -0.775) 1.975 14.004 ( -0.177 -1.877 0.292) 1.908 14.011 ( -0.371 -2.811 -0.409) 2.864 14.173 ( 0.660 -9.834 1.719) 10.005 14.209 ( -0.312 -10.534 -1.778) 10.687 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.38 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.410 12.799 1.040) 12.848 1.502 ( -1.099 13.171 -0.444) 13.225 1.860 ( 1.312 -4.664 1.808) 5.171 1.888 ( -1.389 -5.941 -0.469) 6.120 2.068 ( 7.439 18.362 7.073) 21.036 2.150 ( -1.418 14.477 1.569) 14.630 2.271 ( 13.910 1.374 2.687) 14.233 2.353 ( 10.385 0.840 -1.038) 10.471 2.422 ( -3.920 1.068 0.904) 4.162 2.477 ( -4.936 0.565 -2.780) 5.693 2.945 ( 4.878 -6.650 4.827) 9.557 2.977 ( 0.310 -5.581 5.021) 7.514 3.206 ( -2.019 2.934 0.121) 3.563 3.277 ( -9.469 -0.400 3.471) 10.093 3.375 ( -1.564 -5.535 -10.580) 12.043 3.453 ( -7.332 -4.509 -9.071) 12.505 3.726 ( 6.150 5.273 1.128) 8.179 3.781 ( 0.293 4.371 -3.531) 5.626 3.882 ( -0.928 4.249 1.040) 4.472 3.888 ( -1.301 3.851 0.555) 4.103 4.045 ( 4.846 1.639 1.828) 5.433 4.082 ( 3.158 -0.735 -1.691) 3.657 4.250 ( -9.179 -0.434 0.190) 9.191 4.283 ( -10.529 -1.874 -2.530) 10.990 4.782 ( 1.086 0.530 6.006) 6.127 4.834 ( -3.147 -0.496 4.997) 5.927 4.860 ( -4.081 1.444 0.651) 4.377 4.869 ( -4.662 -1.342 0.987) 4.951 5.252 ( 4.182 24.630 4.441) 25.375 5.339 ( -4.025 25.990 1.909) 26.369 5.430 ( 2.507 16.147 -3.947) 16.811 5.498 ( -3.935 19.545 -5.376) 20.649 5.987 ( 2.696 1.821 0.389) 3.276 6.012 ( 0.539 2.386 -1.713) 2.986 6.373 ( 3.403 -8.728 0.377) 9.375 6.402 ( 1.138 -8.773 -2.025) 9.076 6.878 ( 14.568 9.664 1.790) 17.574 6.930 ( 10.184 10.491 -3.166) 14.960 7.137 ( -8.177 7.638 1.004) 11.234 7.158 ( -6.512 4.274 -0.875) 7.838 7.376 ( 5.160 -4.097 2.075) 6.907 7.415 ( 3.291 -6.744 -1.875) 7.735 7.793 ( -3.504 -12.668 1.049) 13.185 7.809 ( -4.762 -12.546 -0.342) 13.424 11.376 ( 2.796 -0.370 1.602) 3.244 11.407 ( 1.185 -0.726 -0.978) 1.699 11.456 ( -1.214 -1.742 0.549) 2.193 11.486 ( -2.618 -2.011 -1.857) 3.788 11.880 ( -0.616 1.126 0.179) 1.296 11.887 ( -1.457 0.558 -0.554) 1.656 12.003 ( 0.555 -6.175 0.889) 6.264 12.009 ( -0.158 -6.144 0.222) 6.150 12.243 ( 2.275 -4.991 2.359) 5.971 12.281 ( -1.037 -6.420 0.690) 6.540 12.301 ( 0.428 -6.729 -1.135) 6.837 12.325 ( -1.376 -7.196 -1.529) 7.484 12.559 ( 0.937 -1.173 0.836) 1.718 12.569 ( -0.173 -1.174 -0.199) 1.203 12.601 ( 0.323 -3.374 0.189) 3.395 12.607 ( -0.262 -3.200 -0.394) 3.235 13.269 ( 0.876 1.354 0.711) 1.763 13.280 ( -0.239 1.107 -0.251) 1.160 13.363 ( 1.362 -3.165 0.029) 3.446 13.379 ( -0.174 -4.239 -1.408) 4.470 13.532 ( 0.376 -0.053 0.227) 0.442 13.544 ( -0.694 -1.145 -0.903) 1.615 13.591 ( -0.416 -2.127 0.464) 2.216 13.599 ( -1.200 -2.082 -0.304) 2.422 14.002 ( -0.014 -1.802 0.137) 1.808 14.004 ( -0.292 -2.132 -0.117) 2.155 14.187 ( 0.824 -10.085 0.575) 10.135 14.201 ( -0.629 -10.331 -0.723) 10.375 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 -0.50 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 -11.150 2.345) 11.394 1.707 ( 0.000 11.150 2.345) 11.394 1.756 ( 0.000 -10.231 -1.426) 10.330 1.756 ( 0.000 10.231 -1.426) 10.330 1.912 ( 0.000 -4.695 5.027) 6.879 1.912 ( 0.000 4.695 5.027) 6.879 2.073 ( 0.000 -8.062 -9.769) 12.666 2.073 ( 0.000 8.062 -9.769) 12.666 2.588 ( 0.000 -0.244 -2.253) 2.267 2.588 ( 0.000 0.244 -2.253) 2.267 2.904 ( 0.000 -0.362 8.310) 8.318 2.904 ( 0.000 0.362 8.310) 8.318 3.393 ( 0.000 -2.119 5.423) 5.823 3.393 ( 0.000 2.119 5.423) 5.823 3.519 ( 0.000 -5.782 -0.991) 5.867 3.519 ( 0.000 5.783 -0.991) 5.867 3.657 ( 0.000 -5.771 2.390) 6.246 3.657 ( 0.000 5.771 2.390) 6.246 3.859 ( 0.000 -2.611 -8.787) 9.167 3.859 ( 0.000 2.611 -8.787) 9.167 4.053 ( 0.000 -0.130 1.116) 1.124 4.053 ( 0.000 0.130 1.116) 1.124 4.583 ( 0.000 -0.309 -0.393) 0.500 4.583 ( 0.000 0.309 -0.393) 0.500 4.838 ( 0.000 -1.697 14.253) 14.354 4.838 ( 0.000 1.697 14.253) 14.354 5.174 ( 0.000 -0.973 -16.889) 16.917 5.174 ( 0.000 0.973 -16.889) 16.917 5.695 ( 0.000 -1.554 0.076) 1.556 5.695 ( 0.000 1.554 0.076) 1.556 5.799 ( 0.000 -3.204 2.104) 3.833 5.799 ( 0.000 3.204 2.104) 3.833 5.844 ( 0.000 -7.028 1.619) 7.212 5.844 ( 0.000 7.028 1.619) 7.212 5.993 ( 0.000 -8.808 -2.161) 9.070 5.993 ( 0.000 8.808 -2.161) 9.070 6.781 ( 0.000 -1.867 8.521) 8.723 6.781 ( 0.000 1.867 8.521) 8.723 6.964 ( 0.000 -0.516 -8.123) 8.139 6.964 ( 0.000 0.516 -8.123) 8.139 7.509 ( 0.000 -5.361 1.967) 5.711 7.509 ( 0.000 5.361 1.967) 5.711 7.764 ( 0.000 -3.390 -0.609) 3.445 7.764 ( 0.000 3.390 -0.608) 3.445 11.334 ( 0.000 -1.229 -0.081) 1.231 11.334 ( 0.000 1.229 -0.081) 1.231 11.522 ( 0.000 -0.917 -0.307) 0.967 11.522 ( 0.000 0.917 -0.307) 0.967 11.903 ( 0.000 -1.049 0.430) 1.134 11.903 ( 0.000 1.049 0.430) 1.134 11.950 ( 0.000 -0.464 0.022) 0.464 11.950 ( 0.000 0.464 0.022) 0.464 12.163 ( 0.000 -1.447 -0.216) 1.463 12.163 ( 0.000 1.447 -0.216) 1.463 12.256 ( 0.000 -0.399 0.156) 0.429 12.256 ( 0.000 0.399 0.156) 0.429 12.540 ( 0.000 -1.249 1.321) 1.818 12.540 ( 0.000 1.249 1.321) 1.818 12.574 ( 0.000 -0.777 -1.385) 1.588 12.574 ( 0.000 0.777 -1.385) 1.588 13.280 ( 0.000 -1.076 -0.094) 1.080 13.280 ( 0.000 1.076 -0.094) 1.080 13.297 ( 0.000 -0.756 -0.171) 0.775 13.297 ( 0.000 0.756 -0.171) 0.775 13.538 ( 0.000 -0.373 0.107) 0.389 13.538 ( 0.000 0.373 0.107) 0.389 13.620 ( 0.000 -0.991 0.420) 1.076 13.620 ( 0.000 0.991 0.420) 1.076 14.004 ( 0.000 -0.718 -0.126) 0.729 14.004 ( 0.000 0.718 -0.126) 0.729 14.069 ( 0.000 -2.364 -0.448) 2.406 14.069 ( 0.000 2.364 -0.448) 2.406 ======================= Grid point 157 (59/60) ======================= q-point: ( 0.20 -0.50 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.097 -9.672 2.821) 10.075 1.700 ( -0.097 9.672 2.821) 10.076 1.753 ( -0.883 -9.789 -2.458) 10.132 1.753 ( -0.883 9.789 -2.458) 10.132 2.030 ( 11.488 -2.840 3.363) 12.302 2.030 ( 11.488 2.840 3.363) 12.302 2.152 ( 8.209 -4.936 -5.337) 10.965 2.152 ( 8.209 4.936 -5.337) 10.965 2.624 ( 3.252 -2.340 -0.362) 4.023 2.624 ( 3.252 2.340 -0.362) 4.023 2.823 ( -7.153 -4.206 5.782) 10.113 2.823 ( -7.153 4.206 5.782) 10.113 3.334 ( -5.442 -3.785 5.569) 8.658 3.334 ( -5.442 3.785 5.569) 8.658 3.527 ( -4.656 -3.991 -5.525) 8.254 3.527 ( -4.656 3.991 -5.525) 8.254 3.693 ( 6.644 -6.498 2.654) 9.665 3.693 ( 6.644 6.498 2.654) 9.665 3.846 ( -0.524 -1.753 -6.207) 6.471 3.846 ( -0.524 1.753 -6.207) 6.471 4.057 ( 0.446 -0.368 1.074) 1.220 4.057 ( 0.446 0.368 1.074) 1.220 4.483 ( -10.023 -1.054 -0.517) 10.092 4.483 ( -10.023 1.054 -0.517) 10.092 4.819 ( -1.713 -2.537 11.054) 11.470 4.819 ( -1.713 2.537 11.054) 11.470 5.034 ( -11.424 -2.400 -7.995) 14.149 5.034 ( -11.424 2.400 -7.995) 14.149 5.607 ( -3.248 -3.725 -1.883) 5.289 5.607 ( -3.248 3.725 -1.883) 5.289 5.774 ( -4.565 -2.385 -0.652) 5.191 5.774 ( -4.565 2.385 -0.652) 5.191 5.996 ( 9.449 -16.011 2.939) 18.822 5.996 ( 9.449 16.011 2.939) 18.822 6.062 ( 6.966 -15.684 -3.071) 17.434 6.062 ( 6.966 15.684 -3.071) 17.434 6.878 ( 9.238 -10.681 6.787) 15.668 6.878 ( 9.238 10.681 6.787) 15.668 7.025 ( 6.299 -9.880 -7.007) 13.652 7.025 ( 6.299 9.880 -7.007) 13.652 7.484 ( -2.433 -4.762 1.647) 5.595 7.484 ( -2.433 4.762 1.647) 5.595 7.710 ( -5.702 -3.173 -0.366) 6.535 7.710 ( -5.702 3.173 -0.366) 6.535 11.351 ( 1.846 -1.313 -0.062) 2.266 11.351 ( 1.846 1.313 -0.062) 2.266 11.504 ( -1.958 -1.102 -0.241) 2.259 11.504 ( -1.958 1.102 -0.241) 2.259 11.903 ( 0.031 -0.821 0.431) 0.928 11.903 ( 0.031 0.821 0.431) 0.928 11.939 ( -1.011 -0.406 0.097) 1.094 11.939 ( -1.011 0.406 0.097) 1.094 12.176 ( 1.264 -1.477 -0.210) 1.956 12.176 ( 1.264 1.477 -0.210) 1.956 12.250 ( -0.740 -0.717 0.086) 1.034 12.250 ( -0.740 0.717 0.086) 1.034 12.545 ( 0.518 -1.178 1.128) 1.711 12.545 ( 0.518 1.178 1.128) 1.711 12.573 ( -0.183 -0.791 -1.076) 1.348 12.573 ( -0.183 0.791 -1.076) 1.348 13.288 ( 0.769 -1.659 -0.105) 1.831 13.288 ( 0.769 1.659 -0.105) 1.831 13.302 ( 0.498 -1.262 -0.331) 1.396 13.302 ( 0.498 1.262 -0.331) 1.396 13.537 ( -0.049 -0.262 0.117) 0.291 13.537 ( -0.049 0.262 0.117) 0.291 13.602 ( -1.714 -0.826 0.323) 1.930 13.602 ( -1.714 0.826 0.323) 1.930 14.012 ( 0.799 -1.083 -0.093) 1.349 14.012 ( 0.799 1.083 -0.093) 1.349 14.063 ( -0.547 -2.319 -0.375) 2.412 14.063 ( -0.547 2.319 -0.375) 2.412 ======================= Grid point 159 (60/60) ======================= q-point: ( 0.40 -0.50 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.912 -9.040 1.288) 9.176 1.708 ( 0.912 9.040 1.288) 9.176 1.730 ( -1.357 -9.235 -0.889) 9.376 1.730 ( -1.357 9.235 -0.889) 9.376 2.249 ( 10.346 -2.952 -0.317) 10.764 2.249 ( 10.346 2.952 -0.317) 10.764 2.320 ( 5.722 -3.784 1.201) 6.965 2.320 ( 5.722 3.784 1.201) 6.965 2.652 ( 0.752 -18.999 8.074) 20.657 2.652 ( 0.752 18.999 8.074) 20.657 2.727 ( -3.479 -19.140 2.862) 19.663 2.727 ( -3.479 19.140 2.862) 19.663 3.245 ( -0.802 -1.494 -2.553) 3.065 3.245 ( -0.802 1.494 -2.553) 3.065 3.362 ( -10.835 -3.545 -8.286) 14.093 3.362 ( -10.835 3.545 -8.286) 14.093 3.824 ( 4.994 -5.075 0.845) 7.170 3.824 ( 4.994 5.075 0.845) 7.170 3.858 ( 0.873 -3.964 -2.275) 4.653 3.858 ( 0.873 3.964 -2.275) 4.653 4.093 ( 5.235 -0.637 0.782) 5.332 4.093 ( 5.235 0.637 0.782) 5.332 4.266 ( -12.114 -0.843 -0.661) 12.161 4.266 ( -12.114 0.843 -0.661) 12.161 4.801 ( 0.588 -1.720 6.233) 6.493 4.801 ( 0.588 1.720 6.233) 6.493 4.862 ( -6.364 -0.543 1.132) 6.487 4.862 ( -6.364 0.543 1.132) 6.487 5.601 ( 2.176 -5.817 -1.798) 6.466 5.601 ( 2.176 5.817 -1.798) 6.466 5.674 ( -5.336 -4.909 -0.933) 7.310 5.674 ( -5.336 4.909 -0.933) 7.310 6.126 ( 4.792 -11.812 -0.207) 12.749 6.126 ( 4.792 11.812 -0.207) 12.749 6.158 ( 1.814 -12.042 -1.280) 12.245 6.158 ( 1.814 12.042 -1.280) 12.245 7.061 ( 9.142 -7.350 1.775) 11.864 7.061 ( 9.142 7.350 1.775) 11.864 7.138 ( 2.739 -6.533 -2.842) 7.632 7.138 ( 2.739 6.533 -2.842) 7.632 7.454 ( 1.442 -2.519 0.913) 3.043 7.454 ( 1.442 2.519 0.913) 3.043 7.569 ( -8.788 -2.600 0.153) 9.165 7.569 ( -8.788 2.600 0.153) 9.165 11.397 ( 3.021 -1.410 -0.049) 3.334 11.397 ( 3.021 1.410 -0.049) 3.334 11.455 ( -3.098 -1.347 -0.115) 3.380 11.455 ( -3.098 1.347 -0.115) 3.380 11.907 ( 0.431 -0.331 0.383) 0.665 11.907 ( 0.431 0.331 0.383) 0.665 11.920 ( -0.970 -0.245 0.253) 1.032 11.920 ( -0.970 0.245 0.253) 1.032 12.203 ( 1.577 -1.412 -0.161) 2.123 12.203 ( 1.577 1.412 -0.161) 2.123 12.230 ( -1.304 -1.142 -0.051) 1.734 12.230 ( -1.304 1.142 -0.051) 1.734 12.557 ( 0.642 -1.015 0.547) 1.320 12.557 ( 0.642 1.015 0.547) 1.320 12.567 ( -0.443 -0.864 -0.303) 1.017 12.567 ( -0.443 0.864 -0.303) 1.017 13.304 ( 0.733 -2.217 -0.267) 2.350 13.304 ( 0.733 2.217 -0.267) 2.350 13.310 ( 0.128 -1.989 -0.456) 2.045 13.310 ( 0.128 1.989 -0.456) 2.045 13.542 ( 0.729 -0.241 0.136) 0.780 13.542 ( 0.729 0.241 0.136) 0.780 13.567 ( -1.881 -0.571 0.182) 1.974 13.567 ( -1.881 0.571 0.182) 1.974 14.030 ( 1.088 -1.692 -0.095) 2.014 14.030 ( 1.088 1.692 -0.095) 2.014 14.049 ( -0.949 -2.125 -0.214) 2.337 14.049 ( -0.949 2.125 -0.214) 2.337 =================== 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 3/20160 10.0 0.785 3.335 1.051 0.000 0.000 -0.000 3/20160 20.0 0.569 1.180 0.453 0.000 0.000 -0.000 3/20160 30.0 0.492 0.898 0.311 0.000 0.000 -0.000 3/20160 40.0 0.474 0.856 0.263 0.000 0.000 -0.000 3/20160 50.0 0.487 0.879 0.242 0.000 0.000 -0.000 3/20160 60.0 0.508 0.912 0.230 0.000 0.000 -0.000 3/20160 70.0 0.526 0.938 0.221 0.000 0.000 -0.000 3/20160 80.0 0.535 0.952 0.213 0.000 0.000 -0.000 3/20160 90.0 0.537 0.956 0.205 0.000 0.000 -0.000 3/20160 100.0 0.533 0.954 0.198 0.000 0.000 -0.000 3/20160 110.0 0.525 0.946 0.191 0.000 0.000 -0.000 3/20160 120.0 0.513 0.936 0.184 0.000 0.000 -0.000 3/20160 130.0 0.499 0.923 0.177 0.000 0.000 -0.000 3/20160 140.0 0.485 0.909 0.171 0.000 0.000 0.000 3/20160 150.0 0.470 0.893 0.165 0.000 0.000 0.000 3/20160 160.0 0.454 0.876 0.160 0.000 0.000 0.000 3/20160 170.0 0.439 0.859 0.155 0.000 0.000 0.000 3/20160 180.0 0.425 0.841 0.150 0.000 0.000 0.000 3/20160 190.0 0.411 0.823 0.145 0.000 0.000 0.000 3/20160 200.0 0.397 0.805 0.140 0.000 0.000 0.000 3/20160 210.0 0.384 0.787 0.136 0.000 0.000 0.000 3/20160 220.0 0.372 0.769 0.132 0.000 0.000 0.000 3/20160 230.0 0.360 0.752 0.128 0.000 0.000 0.000 3/20160 240.0 0.349 0.734 0.124 0.000 0.000 0.000 3/20160 250.0 0.338 0.717 0.120 0.000 0.000 0.000 3/20160 260.0 0.328 0.701 0.117 0.000 0.000 0.000 3/20160 270.0 0.318 0.685 0.114 0.000 0.000 0.000 3/20160 280.0 0.309 0.669 0.111 0.000 0.000 0.000 3/20160 290.0 0.300 0.654 0.108 0.000 0.000 0.000 3/20160 300.0 0.292 0.639 0.105 0.000 0.000 0.000 3/20160 310.0 0.284 0.625 0.102 0.000 0.000 0.000 3/20160 320.0 0.277 0.611 0.100 0.000 0.000 0.000 3/20160 330.0 0.270 0.597 0.097 0.000 0.000 0.000 3/20160 340.0 0.263 0.585 0.095 0.000 0.000 0.000 3/20160 350.0 0.256 0.572 0.093 0.000 0.000 0.000 3/20160 360.0 0.250 0.560 0.090 0.000 0.000 0.000 3/20160 370.0 0.244 0.548 0.088 0.000 0.000 0.000 3/20160 380.0 0.238 0.537 0.086 0.000 0.000 0.000 3/20160 390.0 0.233 0.526 0.084 0.000 0.000 0.000 3/20160 400.0 0.228 0.516 0.083 0.000 0.000 0.000 3/20160 410.0 0.223 0.505 0.081 0.000 0.000 0.000 3/20160 420.0 0.218 0.496 0.079 0.000 0.000 0.000 3/20160 430.0 0.213 0.486 0.078 0.000 0.000 0.000 3/20160 440.0 0.209 0.477 0.076 0.000 0.000 0.000 3/20160 450.0 0.204 0.468 0.075 0.000 0.000 0.000 3/20160 460.0 0.200 0.459 0.073 0.000 0.000 0.000 3/20160 470.0 0.196 0.451 0.072 0.000 0.000 0.000 3/20160 480.0 0.193 0.443 0.070 0.000 0.000 0.000 3/20160 490.0 0.189 0.435 0.069 0.000 0.000 0.000 3/20160 500.0 0.185 0.428 0.068 0.000 0.000 0.000 3/20160 510.0 0.182 0.420 0.067 0.000 0.000 0.000 3/20160 520.0 0.179 0.413 0.065 0.000 0.000 0.000 3/20160 530.0 0.176 0.406 0.064 0.000 0.000 0.000 3/20160 540.0 0.172 0.400 0.063 0.000 0.000 0.000 3/20160 550.0 0.170 0.393 0.062 0.000 0.000 0.000 3/20160 560.0 0.167 0.387 0.061 0.000 0.000 0.000 3/20160 570.0 0.164 0.381 0.060 0.000 0.000 0.000 3/20160 580.0 0.161 0.375 0.059 0.000 0.000 0.000 3/20160 590.0 0.159 0.369 0.058 0.000 0.000 0.000 3/20160 600.0 0.156 0.364 0.057 0.000 0.000 0.000 3/20160 610.0 0.154 0.358 0.056 0.000 0.000 0.000 3/20160 620.0 0.151 0.353 0.056 0.000 0.000 0.000 3/20160 630.0 0.149 0.348 0.055 0.000 0.000 0.000 3/20160 640.0 0.147 0.343 0.054 0.000 0.000 0.000 3/20160 650.0 0.145 0.338 0.053 0.000 0.000 0.000 3/20160 660.0 0.142 0.333 0.052 0.000 0.000 0.000 3/20160 670.0 0.140 0.329 0.052 0.000 0.000 0.000 3/20160 680.0 0.138 0.324 0.051 0.000 0.000 0.000 3/20160 690.0 0.136 0.320 0.050 0.000 0.000 0.000 3/20160 700.0 0.135 0.316 0.049 0.000 0.000 0.000 3/20160 710.0 0.133 0.312 0.049 0.000 0.000 0.000 3/20160 720.0 0.131 0.308 0.048 0.000 0.000 0.000 3/20160 730.0 0.129 0.304 0.048 0.000 0.000 0.000 3/20160 740.0 0.128 0.300 0.047 0.000 0.000 0.000 3/20160 750.0 0.126 0.296 0.046 0.000 0.000 0.000 3/20160 760.0 0.124 0.292 0.046 0.000 0.000 0.000 3/20160 770.0 0.123 0.289 0.045 0.000 0.000 0.000 3/20160 780.0 0.121 0.285 0.045 0.000 0.000 0.000 3/20160 790.0 0.120 0.282 0.044 0.000 0.000 0.000 3/20160 800.0 0.118 0.279 0.044 0.000 0.000 0.000 3/20160 810.0 0.117 0.275 0.043 0.000 0.000 0.000 3/20160 820.0 0.115 0.272 0.043 0.000 0.000 0.000 3/20160 830.0 0.114 0.269 0.042 0.000 0.000 0.000 3/20160 840.0 0.113 0.266 0.042 0.000 0.000 0.000 3/20160 850.0 0.111 0.263 0.041 0.000 0.000 0.000 3/20160 860.0 0.110 0.260 0.041 0.000 0.000 0.000 3/20160 870.0 0.109 0.257 0.040 0.000 0.000 0.000 3/20160 880.0 0.108 0.254 0.040 0.000 0.000 0.000 3/20160 890.0 0.107 0.252 0.039 0.000 0.000 0.000 3/20160 900.0 0.105 0.249 0.039 0.000 0.000 0.000 3/20160 910.0 0.104 0.246 0.038 0.000 0.000 0.000 3/20160 920.0 0.103 0.244 0.038 0.000 0.000 0.000 3/20160 930.0 0.102 0.241 0.038 0.000 0.000 0.000 3/20160 940.0 0.101 0.239 0.037 0.000 0.000 0.000 3/20160 950.0 0.100 0.237 0.037 0.000 0.000 0.000 3/20160 960.0 0.099 0.234 0.036 0.000 0.000 0.000 3/20160 970.0 0.098 0.232 0.036 0.000 0.000 0.000 3/20160 980.0 0.097 0.230 0.036 0.000 0.000 0.000 3/20160 990.0 0.096 0.227 0.035 0.000 0.000 0.000 3/20160 1000.0 0.095 0.225 0.035 0.000 0.000 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m587.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:02:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|