----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:06:19]------------------------- 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: [2 1 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 6.842551080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.771957960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.529898770000002 Atomic positions (fractional): *1 Se 0.07673756076469 0.88016252464512 0.61867861558844 78.960 2 Se 0.57673756076469 0.61983747535488 0.88132138441156 78.960 3 Se 0.92326243923531 0.38016252464512 0.38132138441156 78.960 4 Se 0.07673756076469 0.61983747535488 0.61867861558844 78.960 5 Se 0.57673756076469 0.88016252464512 0.88132138441156 78.960 6 Se 0.42326243923531 0.38016252464512 0.11867861558844 78.960 7 Se 0.92326243923531 0.11983747535488 0.38132138441156 78.960 8 Se 0.42326243923531 0.11983747535488 0.11867861558844 78.960 *9 Br 0.41492897276273 0.40098451871764 0.63189135786217 79.904 10 Br 0.58507102723727 0.90098451871763 0.36810864213783 79.904 11 Br 0.08507102723727 0.59901548128237 0.13189135786217 79.904 12 Br 0.08507102723727 0.90098451871763 0.13189135786217 79.904 13 Br 0.91492897276273 0.40098451871764 0.86810864213783 79.904 14 Br 0.41492897276273 0.09901548128236 0.63189135786217 79.904 15 Br 0.91492897276273 0.09901548128236 0.86810864213783 79.904 16 Br 0.58507102723727 0.59901548128237 0.36810864213783 79.904 *17 Au 0.82633819637805 0.75000000000000 0.74824150653885 196.967 18 Au 0.32633819637805 0.75000000000000 0.75175849346115 196.967 19 Au 0.67366180362195 0.25000000000000 0.24824150653885 196.967 20 Au 0.17366180362195 0.25000000000000 0.25175849346115 196.967 *21 Au 0.08324605613567 0.75000000000000 0.36218773490542 196.967 22 Au 0.58324605613567 0.75000000000000 0.13781226509458 196.967 23 Au 0.41675394386433 0.25000000000000 0.86218773490542 196.967 24 Au 0.91675394386433 0.25000000000000 0.63781226509458 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.842551080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.771957960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.529898770000002 Atomic positions (fractional): *1 Se 0.07673756076469 0.88016252464512 0.61867861558844 78.960 > 1 2 Se 0.57673756076469 0.61983747535488 0.88132138441156 78.960 > 2 3 Se 0.92326243923531 0.38016252464512 0.38132138441156 78.960 > 3 4 Se 0.07673756076469 0.61983747535488 0.61867861558844 78.960 > 4 5 Se 0.57673756076469 0.88016252464512 0.88132138441156 78.960 > 5 6 Se 0.42326243923531 0.38016252464512 0.11867861558844 78.960 > 6 7 Se 0.92326243923531 0.11983747535488 0.38132138441156 78.960 > 7 8 Se 0.42326243923531 0.11983747535488 0.11867861558844 78.960 > 8 *9 Br 0.41492897276273 0.40098451871764 0.63189135786217 79.904 > 9 10 Br 0.58507102723727 0.90098451871763 0.36810864213783 79.904 > 10 11 Br 0.08507102723727 0.59901548128237 0.13189135786217 79.904 > 11 12 Br 0.08507102723727 0.90098451871763 0.13189135786217 79.904 > 12 13 Br 0.91492897276273 0.40098451871764 0.86810864213783 79.904 > 13 14 Br 0.41492897276273 0.09901548128236 0.63189135786217 79.904 > 14 15 Br 0.91492897276273 0.09901548128236 0.86810864213783 79.904 > 15 16 Br 0.58507102723727 0.59901548128237 0.36810864213783 79.904 > 16 *17 Au 0.82633819637805 0.75000000000000 0.74824150653885 196.967 > 17 18 Au 0.32633819637805 0.75000000000000 0.75175849346115 196.967 > 18 19 Au 0.67366180362195 0.25000000000000 0.24824150653885 196.967 > 19 20 Au 0.17366180362195 0.25000000000000 0.25175849346115 196.967 > 20 *21 Au 0.08324605613567 0.75000000000000 0.36218773490542 196.967 > 21 22 Au 0.58324605613567 0.75000000000000 0.13781226509458 196.967 > 22 23 Au 0.41675394386433 0.25000000000000 0.86218773490542 196.967 > 23 24 Au 0.91675394386433 0.25000000000000 0.63781226509458 196.967 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.685102160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.771957960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.059797540000003 Atomic positions (fractional): *1 Se 0.03836878038235 0.88016252464512 0.30933930779422 78.960 > 1 2 Se 0.53836878038235 0.88016252464512 0.30933930779422 78.960 > 1 3 Se 0.03836878038235 0.88016252464512 0.80933930779422 78.960 > 1 4 Se 0.53836878038235 0.88016252464512 0.80933930779422 78.960 > 1 5 Se 0.28836878038235 0.61983747535488 0.44066069220578 78.960 > 2 6 Se 0.78836878038235 0.61983747535488 0.44066069220578 78.960 > 2 7 Se 0.28836878038235 0.61983747535488 0.94066069220578 78.960 > 2 8 Se 0.78836878038235 0.61983747535488 0.94066069220578 78.960 > 2 9 Se 0.46163121961765 0.38016252464512 0.19066069220578 78.960 > 3 10 Se 0.96163121961765 0.38016252464512 0.19066069220578 78.960 > 3 11 Se 0.46163121961765 0.38016252464512 0.69066069220578 78.960 > 3 12 Se 0.96163121961765 0.38016252464512 0.69066069220578 78.960 > 3 13 Se 0.03836878038235 0.61983747535488 0.30933930779422 78.960 > 4 14 Se 0.53836878038235 0.61983747535488 0.30933930779422 78.960 > 4 15 Se 0.03836878038235 0.61983747535488 0.80933930779422 78.960 > 4 16 Se 0.53836878038235 0.61983747535488 0.80933930779422 78.960 > 4 17 Se 0.28836878038235 0.88016252464512 0.44066069220578 78.960 > 5 18 Se 0.78836878038235 0.88016252464512 0.44066069220578 78.960 > 5 19 Se 0.28836878038235 0.88016252464512 0.94066069220578 78.960 > 5 20 Se 0.78836878038235 0.88016252464512 0.94066069220578 78.960 > 5 21 Se 0.21163121961765 0.38016252464512 0.05933930779422 78.960 > 6 22 Se 0.71163121961765 0.38016252464512 0.05933930779422 78.960 > 6 23 Se 0.21163121961765 0.38016252464512 0.55933930779422 78.960 > 6 24 Se 0.71163121961765 0.38016252464512 0.55933930779422 78.960 > 6 25 Se 0.46163121961765 0.11983747535488 0.19066069220578 78.960 > 7 26 Se 0.96163121961765 0.11983747535488 0.19066069220578 78.960 > 7 27 Se 0.46163121961765 0.11983747535488 0.69066069220578 78.960 > 7 28 Se 0.96163121961765 0.11983747535488 0.69066069220578 78.960 > 7 29 Se 0.21163121961765 0.11983747535488 0.05933930779422 78.960 > 8 30 Se 0.71163121961765 0.11983747535488 0.05933930779422 78.960 > 8 31 Se 0.21163121961765 0.11983747535488 0.55933930779422 78.960 > 8 32 Se 0.71163121961765 0.11983747535488 0.55933930779422 78.960 > 8 *33 Br 0.20746448638136 0.40098451871764 0.31594567893109 79.904 > 9 34 Br 0.70746448638136 0.40098451871764 0.31594567893109 79.904 > 9 35 Br 0.20746448638136 0.40098451871764 0.81594567893109 79.904 > 9 36 Br 0.70746448638136 0.40098451871764 0.81594567893109 79.904 > 9 37 Br 0.29253551361864 0.90098451871763 0.18405432106891 79.904 > 10 38 Br 0.79253551361864 0.90098451871763 0.18405432106891 79.904 > 10 39 Br 0.29253551361864 0.90098451871763 0.68405432106891 79.904 > 10 40 Br 0.79253551361864 0.90098451871763 0.68405432106891 79.904 > 10 41 Br 0.04253551361864 0.59901548128237 0.06594567893109 79.904 > 11 42 Br 0.54253551361864 0.59901548128237 0.06594567893109 79.904 > 11 43 Br 0.04253551361864 0.59901548128237 0.56594567893109 79.904 > 11 44 Br 0.54253551361864 0.59901548128237 0.56594567893109 79.904 > 11 45 Br 0.04253551361864 0.90098451871763 0.06594567893109 79.904 > 12 46 Br 0.54253551361864 0.90098451871763 0.06594567893109 79.904 > 12 47 Br 0.04253551361864 0.90098451871763 0.56594567893109 79.904 > 12 48 Br 0.54253551361864 0.90098451871763 0.56594567893109 79.904 > 12 49 Br 0.45746448638136 0.40098451871764 0.43405432106891 79.904 > 13 50 Br 0.95746448638136 0.40098451871764 0.43405432106891 79.904 > 13 51 Br 0.45746448638136 0.40098451871764 0.93405432106891 79.904 > 13 52 Br 0.95746448638136 0.40098451871764 0.93405432106891 79.904 > 13 53 Br 0.20746448638136 0.09901548128236 0.31594567893109 79.904 > 14 54 Br 0.70746448638136 0.09901548128236 0.31594567893109 79.904 > 14 55 Br 0.20746448638136 0.09901548128236 0.81594567893109 79.904 > 14 56 Br 0.70746448638136 0.09901548128236 0.81594567893109 79.904 > 14 57 Br 0.45746448638136 0.09901548128236 0.43405432106891 79.904 > 15 58 Br 0.95746448638136 0.09901548128236 0.43405432106891 79.904 > 15 59 Br 0.45746448638136 0.09901548128236 0.93405432106891 79.904 > 15 60 Br 0.95746448638136 0.09901548128236 0.93405432106891 79.904 > 15 61 Br 0.29253551361864 0.59901548128237 0.18405432106891 79.904 > 16 62 Br 0.79253551361864 0.59901548128237 0.18405432106891 79.904 > 16 63 Br 0.29253551361864 0.59901548128237 0.68405432106891 79.904 > 16 64 Br 0.79253551361864 0.59901548128237 0.68405432106891 79.904 > 16 *65 Au 0.41316909818902 0.75000000000000 0.37412075326942 196.967 > 17 66 Au 0.91316909818902 0.75000000000000 0.37412075326942 196.967 > 17 67 Au 0.41316909818902 0.75000000000000 0.87412075326942 196.967 > 17 68 Au 0.91316909818902 0.75000000000000 0.87412075326942 196.967 > 17 69 Au 0.16316909818902 0.75000000000000 0.37587924673058 196.967 > 18 70 Au 0.66316909818902 0.75000000000000 0.37587924673058 196.967 > 18 71 Au 0.16316909818902 0.75000000000000 0.87587924673058 196.967 > 18 72 Au 0.66316909818902 0.75000000000000 0.87587924673058 196.967 > 18 73 Au 0.33683090181098 0.25000000000000 0.12412075326942 196.967 > 19 74 Au 0.83683090181098 0.25000000000000 0.12412075326942 196.967 > 19 75 Au 0.33683090181098 0.25000000000000 0.62412075326942 196.967 > 19 76 Au 0.83683090181098 0.25000000000000 0.62412075326942 196.967 > 19 77 Au 0.08683090181098 0.25000000000000 0.12587924673058 196.967 > 20 78 Au 0.58683090181098 0.25000000000000 0.12587924673058 196.967 > 20 79 Au 0.08683090181098 0.25000000000000 0.62587924673058 196.967 > 20 80 Au 0.58683090181098 0.25000000000000 0.62587924673058 196.967 > 20 *81 Au 0.04162302806784 0.75000000000000 0.18109386745271 196.967 > 21 82 Au 0.54162302806784 0.75000000000000 0.18109386745271 196.967 > 21 83 Au 0.04162302806784 0.75000000000000 0.68109386745271 196.967 > 21 84 Au 0.54162302806784 0.75000000000000 0.68109386745271 196.967 > 21 85 Au 0.29162302806784 0.75000000000000 0.06890613254729 196.967 > 22 86 Au 0.79162302806784 0.75000000000000 0.06890613254729 196.967 > 22 87 Au 0.29162302806784 0.75000000000000 0.56890613254729 196.967 > 22 88 Au 0.79162302806784 0.75000000000000 0.56890613254729 196.967 > 22 89 Au 0.20837697193216 0.25000000000000 0.43109386745271 196.967 > 23 90 Au 0.70837697193216 0.25000000000000 0.43109386745271 196.967 > 23 91 Au 0.20837697193216 0.25000000000000 0.93109386745271 196.967 > 23 92 Au 0.70837697193216 0.25000000000000 0.93109386745271 196.967 > 23 93 Au 0.45837697193216 0.25000000000000 0.31890613254729 196.967 > 24 94 Au 0.95837697193216 0.25000000000000 0.31890613254729 196.967 > 24 95 Au 0.45837697193216 0.25000000000000 0.81890613254729 196.967 > 24 96 Au 0.95837697193216 0.25000000000000 0.81890613254729 196.967 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.4901376 0.0000000 0.0000000 0.0000000 12.1532765 0.0000000 0.0000000 0.0000000 12.6688644 -------------------------- Born effective charges -------------------------- 1 Se -0.4695308 0.1331316 -0.1665446 0.0301433 1.2618439 0.3196230 -0.0190723 0.6759223 -0.0820866 2 Se -0.4695308 -0.1331316 0.1665446 -0.0301433 1.2618439 0.3196230 0.0190723 0.6759223 -0.0820866 3 Se -0.4695308 -0.1331316 -0.1665446 -0.0301433 1.2618439 -0.3196230 -0.0190723 -0.6759223 -0.0820866 4 Se -0.4695308 -0.1331316 -0.1665446 -0.0301433 1.2618439 -0.3196230 -0.0190723 -0.6759223 -0.0820866 5 Se -0.4695308 0.1331316 0.1665446 0.0301433 1.2618439 -0.3196230 0.0190723 -0.6759223 -0.0820866 6 Se -0.4695308 -0.1331316 0.1665446 -0.0301433 1.2618439 0.3196230 0.0190723 0.6759223 -0.0820866 7 Se -0.4695308 0.1331316 -0.1665446 0.0301433 1.2618439 0.3196230 -0.0190723 0.6759223 -0.0820866 8 Se -0.4695308 0.1331316 0.1665446 0.0301433 1.2618439 -0.3196230 0.0190723 -0.6759223 -0.0820866 9 Br -0.9360187 0.2509680 -0.4275697 -0.0031670 -1.8309185 0.3407676 -0.3848572 0.7395056 -1.6937295 10 Br -0.9360187 -0.2509680 -0.4275697 0.0031670 -1.8309185 -0.3407676 -0.3848572 -0.7395056 -1.6937295 11 Br -0.9360187 0.2509680 0.4275697 -0.0031670 -1.8309185 -0.3407676 0.3848572 -0.7395056 -1.6937295 12 Br -0.9360187 -0.2509680 0.4275697 0.0031670 -1.8309185 0.3407676 0.3848572 0.7395056 -1.6937295 13 Br -0.9360187 0.2509680 0.4275697 -0.0031670 -1.8309185 -0.3407676 0.3848572 -0.7395056 -1.6937295 14 Br -0.9360187 -0.2509680 -0.4275697 0.0031670 -1.8309185 -0.3407676 -0.3848572 -0.7395056 -1.6937295 15 Br -0.9360187 -0.2509680 0.4275697 0.0031670 -1.8309185 0.3407676 0.3848572 0.7395056 -1.6937295 16 Br -0.9360187 0.2509680 -0.4275697 -0.0031670 -1.8309185 0.3407676 -0.3848572 0.7395056 -1.6937295 17 Au 2.2285403 0.0000000 -0.7535336 0.0000000 0.0479728 0.0000000 -0.5780838 0.0000000 1.4547783 18 Au 2.2285403 0.0000000 0.7535336 0.0000000 0.0479728 0.0000000 0.5780838 0.0000000 1.4547783 19 Au 2.2285403 0.0000000 0.7535336 0.0000000 0.0479728 0.0000000 0.5780838 0.0000000 1.4547783 20 Au 2.2285403 0.0000000 -0.7535336 0.0000000 0.0479728 0.0000000 -0.5780838 0.0000000 1.4547783 21 Au 0.5825586 0.0000000 -0.2092876 0.0000000 1.0901763 0.0000000 -0.4363952 0.0000000 2.0968538 22 Au 0.5825586 0.0000000 0.2092876 0.0000000 1.0901763 0.0000000 0.4363952 0.0000000 2.0968538 23 Au 0.5825586 0.0000000 0.2092876 0.0000000 1.0901763 0.0000000 0.4363952 0.0000000 2.0968538 24 Au 0.5825586 0.0000000 -0.2092876 0.0000000 1.0901763 0.0000000 -0.4363952 0.0000000 2.0968538 ---------------------------------------------------------------------------- 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: 1384 Number of blocks in projector: 1384 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 1.585 Solver_block: 200 / 400 - Time: 1.649 Solver_block: 300 / 400 - Time: 1.584 Solver_block: 400 / 400 - Time: 1.590 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.723 --------------------------------- 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: 1384 Number of blocks in projector: 1384 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), 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 06:06:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:06:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.842551080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.771957960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.529898770000002 Atomic positions (fractional): 1 Se 0.07673756076469 0.88016252464512 0.61867861558844 78.960 2 Se 0.57673756076469 0.61983747535488 0.88132138441156 78.960 3 Se 0.92326243923531 0.38016252464512 0.38132138441156 78.960 4 Se 0.07673756076469 0.61983747535488 0.61867861558844 78.960 5 Se 0.57673756076469 0.88016252464512 0.88132138441156 78.960 6 Se 0.42326243923531 0.38016252464512 0.11867861558844 78.960 7 Se 0.92326243923531 0.11983747535488 0.38132138441156 78.960 8 Se 0.42326243923531 0.11983747535488 0.11867861558844 78.960 9 Br 0.41492897276273 0.40098451871764 0.63189135786217 79.904 10 Br 0.58507102723727 0.90098451871763 0.36810864213783 79.904 11 Br 0.08507102723727 0.59901548128237 0.13189135786217 79.904 12 Br 0.08507102723727 0.90098451871763 0.13189135786217 79.904 13 Br 0.91492897276273 0.40098451871764 0.86810864213783 79.904 14 Br 0.41492897276273 0.09901548128236 0.63189135786217 79.904 15 Br 0.91492897276273 0.09901548128236 0.86810864213783 79.904 16 Br 0.58507102723727 0.59901548128237 0.36810864213783 79.904 17 Au 0.82633819637805 0.75000000000000 0.74824150653885 196.967 18 Au 0.32633819637805 0.75000000000000 0.75175849346115 196.967 19 Au 0.67366180362195 0.25000000000000 0.24824150653885 196.967 20 Au 0.17366180362195 0.25000000000000 0.25175849346115 196.967 21 Au 0.08324605613567 0.75000000000000 0.36218773490542 196.967 22 Au 0.58324605613567 0.75000000000000 0.13781226509458 196.967 23 Au 0.41675394386433 0.25000000000000 0.86218773490542 196.967 24 Au 0.91675394386433 0.25000000000000 0.63781226509458 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.685102160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.771957960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.059797540000003 Atomic positions (fractional): 1 Se 0.03836878038235 0.88016252464512 0.30933930779422 78.960 > 1 2 Se 0.53836878038235 0.88016252464512 0.30933930779422 78.960 > 1 3 Se 0.03836878038235 0.88016252464512 0.80933930779422 78.960 > 1 4 Se 0.53836878038235 0.88016252464512 0.80933930779422 78.960 > 1 5 Se 0.28836878038235 0.61983747535488 0.44066069220578 78.960 > 5 6 Se 0.78836878038235 0.61983747535488 0.44066069220578 78.960 > 5 7 Se 0.28836878038235 0.61983747535488 0.94066069220578 78.960 > 5 8 Se 0.78836878038235 0.61983747535488 0.94066069220578 78.960 > 5 9 Se 0.46163121961765 0.38016252464512 0.19066069220578 78.960 > 9 10 Se 0.96163121961765 0.38016252464512 0.19066069220578 78.960 > 9 11 Se 0.46163121961765 0.38016252464512 0.69066069220578 78.960 > 9 12 Se 0.96163121961765 0.38016252464512 0.69066069220578 78.960 > 9 13 Se 0.03836878038235 0.61983747535488 0.30933930779422 78.960 > 13 14 Se 0.53836878038235 0.61983747535488 0.30933930779422 78.960 > 13 15 Se 0.03836878038235 0.61983747535488 0.80933930779422 78.960 > 13 16 Se 0.53836878038235 0.61983747535488 0.80933930779422 78.960 > 13 17 Se 0.28836878038235 0.88016252464512 0.44066069220578 78.960 > 17 18 Se 0.78836878038235 0.88016252464512 0.44066069220578 78.960 > 17 19 Se 0.28836878038235 0.88016252464512 0.94066069220578 78.960 > 17 20 Se 0.78836878038235 0.88016252464512 0.94066069220578 78.960 > 17 21 Se 0.21163121961765 0.38016252464512 0.05933930779422 78.960 > 21 22 Se 0.71163121961765 0.38016252464512 0.05933930779422 78.960 > 21 23 Se 0.21163121961765 0.38016252464512 0.55933930779422 78.960 > 21 24 Se 0.71163121961765 0.38016252464512 0.55933930779422 78.960 > 21 25 Se 0.46163121961765 0.11983747535488 0.19066069220578 78.960 > 25 26 Se 0.96163121961765 0.11983747535488 0.19066069220578 78.960 > 25 27 Se 0.46163121961765 0.11983747535488 0.69066069220578 78.960 > 25 28 Se 0.96163121961765 0.11983747535488 0.69066069220578 78.960 > 25 29 Se 0.21163121961765 0.11983747535488 0.05933930779422 78.960 > 29 30 Se 0.71163121961765 0.11983747535488 0.05933930779422 78.960 > 29 31 Se 0.21163121961765 0.11983747535488 0.55933930779422 78.960 > 29 32 Se 0.71163121961765 0.11983747535488 0.55933930779422 78.960 > 29 33 Br 0.20746448638136 0.40098451871764 0.31594567893109 79.904 > 33 34 Br 0.70746448638136 0.40098451871764 0.31594567893109 79.904 > 33 35 Br 0.20746448638136 0.40098451871764 0.81594567893109 79.904 > 33 36 Br 0.70746448638136 0.40098451871764 0.81594567893109 79.904 > 33 37 Br 0.29253551361864 0.90098451871763 0.18405432106891 79.904 > 37 38 Br 0.79253551361864 0.90098451871763 0.18405432106891 79.904 > 37 39 Br 0.29253551361864 0.90098451871763 0.68405432106891 79.904 > 37 40 Br 0.79253551361864 0.90098451871763 0.68405432106891 79.904 > 37 41 Br 0.04253551361864 0.59901548128237 0.06594567893109 79.904 > 41 42 Br 0.54253551361864 0.59901548128237 0.06594567893109 79.904 > 41 43 Br 0.04253551361864 0.59901548128237 0.56594567893109 79.904 > 41 44 Br 0.54253551361864 0.59901548128237 0.56594567893109 79.904 > 41 45 Br 0.04253551361864 0.90098451871763 0.06594567893109 79.904 > 45 46 Br 0.54253551361864 0.90098451871763 0.06594567893109 79.904 > 45 47 Br 0.04253551361864 0.90098451871763 0.56594567893109 79.904 > 45 48 Br 0.54253551361864 0.90098451871763 0.56594567893109 79.904 > 45 49 Br 0.45746448638136 0.40098451871764 0.43405432106891 79.904 > 49 50 Br 0.95746448638136 0.40098451871764 0.43405432106891 79.904 > 49 51 Br 0.45746448638136 0.40098451871764 0.93405432106891 79.904 > 49 52 Br 0.95746448638136 0.40098451871764 0.93405432106891 79.904 > 49 53 Br 0.20746448638136 0.09901548128236 0.31594567893109 79.904 > 53 54 Br 0.70746448638136 0.09901548128236 0.31594567893109 79.904 > 53 55 Br 0.20746448638136 0.09901548128236 0.81594567893109 79.904 > 53 56 Br 0.70746448638136 0.09901548128236 0.81594567893109 79.904 > 53 57 Br 0.45746448638136 0.09901548128236 0.43405432106891 79.904 > 57 58 Br 0.95746448638136 0.09901548128236 0.43405432106891 79.904 > 57 59 Br 0.45746448638136 0.09901548128236 0.93405432106891 79.904 > 57 60 Br 0.95746448638136 0.09901548128236 0.93405432106891 79.904 > 57 61 Br 0.29253551361864 0.59901548128237 0.18405432106891 79.904 > 61 62 Br 0.79253551361864 0.59901548128237 0.18405432106891 79.904 > 61 63 Br 0.29253551361864 0.59901548128237 0.68405432106891 79.904 > 61 64 Br 0.79253551361864 0.59901548128237 0.68405432106891 79.904 > 61 65 Au 0.41316909818902 0.75000000000000 0.37412075326942 196.967 > 65 66 Au 0.91316909818902 0.75000000000000 0.37412075326942 196.967 > 65 67 Au 0.41316909818902 0.75000000000000 0.87412075326942 196.967 > 65 68 Au 0.91316909818902 0.75000000000000 0.87412075326942 196.967 > 65 69 Au 0.16316909818902 0.75000000000000 0.37587924673058 196.967 > 69 70 Au 0.66316909818902 0.75000000000000 0.37587924673058 196.967 > 69 71 Au 0.16316909818902 0.75000000000000 0.87587924673058 196.967 > 69 72 Au 0.66316909818902 0.75000000000000 0.87587924673058 196.967 > 69 73 Au 0.33683090181098 0.25000000000000 0.12412075326942 196.967 > 73 74 Au 0.83683090181098 0.25000000000000 0.12412075326942 196.967 > 73 75 Au 0.33683090181098 0.25000000000000 0.62412075326942 196.967 > 73 76 Au 0.83683090181098 0.25000000000000 0.62412075326942 196.967 > 73 77 Au 0.08683090181098 0.25000000000000 0.12587924673058 196.967 > 77 78 Au 0.58683090181098 0.25000000000000 0.12587924673058 196.967 > 77 79 Au 0.08683090181098 0.25000000000000 0.62587924673058 196.967 > 77 80 Au 0.58683090181098 0.25000000000000 0.62587924673058 196.967 > 77 81 Au 0.04162302806784 0.75000000000000 0.18109386745271 196.967 > 81 82 Au 0.54162302806784 0.75000000000000 0.18109386745271 196.967 > 81 83 Au 0.04162302806784 0.75000000000000 0.68109386745271 196.967 > 81 84 Au 0.54162302806784 0.75000000000000 0.68109386745271 196.967 > 81 85 Au 0.29162302806784 0.75000000000000 0.06890613254729 196.967 > 85 86 Au 0.79162302806784 0.75000000000000 0.06890613254729 196.967 > 85 87 Au 0.29162302806784 0.75000000000000 0.56890613254729 196.967 > 85 88 Au 0.79162302806784 0.75000000000000 0.56890613254729 196.967 > 85 89 Au 0.20837697193216 0.25000000000000 0.43109386745271 196.967 > 89 90 Au 0.70837697193216 0.25000000000000 0.43109386745271 196.967 > 89 91 Au 0.20837697193216 0.25000000000000 0.93109386745271 196.967 > 89 92 Au 0.70837697193216 0.25000000000000 0.93109386745271 196.967 > 89 93 Au 0.45837697193216 0.25000000000000 0.31890613254729 196.967 > 93 94 Au 0.95837697193216 0.25000000000000 0.31890613254729 196.967 > 93 95 Au 0.45837697193216 0.25000000000000 0.81890613254729 196.967 > 93 96 Au 0.95837697193216 0.25000000000000 0.81890613254729 196.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.4901376 0.0000000 0.0000000 0.0000000 12.1532765 0.0000000 0.0000000 0.0000000 12.6688644 -------------------------- Born effective charges -------------------------- 1 Se -0.4695308 0.1331316 -0.1665446 0.0301433 1.2618439 0.3196230 -0.0190723 0.6759223 -0.0820866 2 Se -0.4695308 -0.1331316 0.1665446 -0.0301433 1.2618439 0.3196230 0.0190723 0.6759223 -0.0820866 3 Se -0.4695308 -0.1331316 -0.1665446 -0.0301433 1.2618439 -0.3196230 -0.0190723 -0.6759223 -0.0820866 4 Se -0.4695308 -0.1331316 -0.1665446 -0.0301433 1.2618439 -0.3196230 -0.0190723 -0.6759223 -0.0820866 5 Se -0.4695308 0.1331316 0.1665446 0.0301433 1.2618439 -0.3196230 0.0190723 -0.6759223 -0.0820866 6 Se -0.4695308 -0.1331316 0.1665446 -0.0301433 1.2618439 0.3196230 0.0190723 0.6759223 -0.0820866 7 Se -0.4695308 0.1331316 -0.1665446 0.0301433 1.2618439 0.3196230 -0.0190723 0.6759223 -0.0820866 8 Se -0.4695308 0.1331316 0.1665446 0.0301433 1.2618439 -0.3196230 0.0190723 -0.6759223 -0.0820866 9 Br -0.9360187 0.2509680 -0.4275697 -0.0031670 -1.8309185 0.3407676 -0.3848572 0.7395056 -1.6937295 10 Br -0.9360187 -0.2509680 -0.4275697 0.0031670 -1.8309185 -0.3407676 -0.3848572 -0.7395056 -1.6937295 11 Br -0.9360187 0.2509680 0.4275697 -0.0031670 -1.8309185 -0.3407676 0.3848572 -0.7395056 -1.6937295 12 Br -0.9360187 -0.2509680 0.4275697 0.0031670 -1.8309185 0.3407676 0.3848572 0.7395056 -1.6937295 13 Br -0.9360187 0.2509680 0.4275697 -0.0031670 -1.8309185 -0.3407676 0.3848572 -0.7395056 -1.6937295 14 Br -0.9360187 -0.2509680 -0.4275697 0.0031670 -1.8309185 -0.3407676 -0.3848572 -0.7395056 -1.6937295 15 Br -0.9360187 -0.2509680 0.4275697 0.0031670 -1.8309185 0.3407676 0.3848572 0.7395056 -1.6937295 16 Br -0.9360187 0.2509680 -0.4275697 -0.0031670 -1.8309185 0.3407676 -0.3848572 0.7395056 -1.6937295 17 Au 2.2285403 0.0000000 -0.7535336 0.0000000 0.0479728 0.0000000 -0.5780838 0.0000000 1.4547783 18 Au 2.2285403 0.0000000 0.7535336 0.0000000 0.0479728 0.0000000 0.5780838 0.0000000 1.4547783 19 Au 2.2285403 0.0000000 0.7535336 0.0000000 0.0479728 0.0000000 0.5780838 0.0000000 1.4547783 20 Au 2.2285403 0.0000000 -0.7535336 0.0000000 0.0479728 0.0000000 -0.5780838 0.0000000 1.4547783 21 Au 0.5825586 0.0000000 -0.2092876 0.0000000 1.0901763 0.0000000 -0.4363952 0.0000000 2.0968538 22 Au 0.5825586 0.0000000 0.2092876 0.0000000 1.0901763 0.0000000 0.4363952 0.0000000 2.0968538 23 Au 0.5825586 0.0000000 0.2092876 0.0000000 1.0901763 0.0000000 0.4363952 0.0000000 2.0968538 24 Au 0.5825586 0.0000000 -0.2092876 0.0000000 1.0901763 0.0000000 -0.4363952 0.0000000 2.0968538 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (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 06:07:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:07:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.842551080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.771957960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.529898770000002 Atomic positions (fractional): 1 Se 0.07673756076469 0.88016252464512 0.61867861558844 78.960 2 Se 0.57673756076469 0.61983747535488 0.88132138441156 78.960 3 Se 0.92326243923531 0.38016252464512 0.38132138441156 78.960 4 Se 0.07673756076469 0.61983747535488 0.61867861558844 78.960 5 Se 0.57673756076469 0.88016252464512 0.88132138441156 78.960 6 Se 0.42326243923531 0.38016252464512 0.11867861558844 78.960 7 Se 0.92326243923531 0.11983747535488 0.38132138441156 78.960 8 Se 0.42326243923531 0.11983747535488 0.11867861558844 78.960 9 Br 0.41492897276273 0.40098451871764 0.63189135786217 79.904 10 Br 0.58507102723727 0.90098451871763 0.36810864213783 79.904 11 Br 0.08507102723727 0.59901548128237 0.13189135786217 79.904 12 Br 0.08507102723727 0.90098451871763 0.13189135786217 79.904 13 Br 0.91492897276273 0.40098451871764 0.86810864213783 79.904 14 Br 0.41492897276273 0.09901548128236 0.63189135786217 79.904 15 Br 0.91492897276273 0.09901548128236 0.86810864213783 79.904 16 Br 0.58507102723727 0.59901548128237 0.36810864213783 79.904 17 Au 0.82633819637805 0.75000000000000 0.74824150653885 196.967 18 Au 0.32633819637805 0.75000000000000 0.75175849346115 196.967 19 Au 0.67366180362195 0.25000000000000 0.24824150653885 196.967 20 Au 0.17366180362195 0.25000000000000 0.25175849346115 196.967 21 Au 0.08324605613567 0.75000000000000 0.36218773490542 196.967 22 Au 0.58324605613567 0.75000000000000 0.13781226509458 196.967 23 Au 0.41675394386433 0.25000000000000 0.86218773490542 196.967 24 Au 0.91675394386433 0.25000000000000 0.63781226509458 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.685102160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.771957960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.059797540000003 Atomic positions (fractional): 1 Se 0.03836878038235 0.88016252464512 0.30933930779422 78.960 > 1 2 Se 0.53836878038235 0.88016252464512 0.30933930779422 78.960 > 1 3 Se 0.03836878038235 0.88016252464512 0.80933930779422 78.960 > 1 4 Se 0.53836878038235 0.88016252464512 0.80933930779422 78.960 > 1 5 Se 0.28836878038235 0.61983747535488 0.44066069220578 78.960 > 5 6 Se 0.78836878038235 0.61983747535488 0.44066069220578 78.960 > 5 7 Se 0.28836878038235 0.61983747535488 0.94066069220578 78.960 > 5 8 Se 0.78836878038235 0.61983747535488 0.94066069220578 78.960 > 5 9 Se 0.46163121961765 0.38016252464512 0.19066069220578 78.960 > 9 10 Se 0.96163121961765 0.38016252464512 0.19066069220578 78.960 > 9 11 Se 0.46163121961765 0.38016252464512 0.69066069220578 78.960 > 9 12 Se 0.96163121961765 0.38016252464512 0.69066069220578 78.960 > 9 13 Se 0.03836878038235 0.61983747535488 0.30933930779422 78.960 > 13 14 Se 0.53836878038235 0.61983747535488 0.30933930779422 78.960 > 13 15 Se 0.03836878038235 0.61983747535488 0.80933930779422 78.960 > 13 16 Se 0.53836878038235 0.61983747535488 0.80933930779422 78.960 > 13 17 Se 0.28836878038235 0.88016252464512 0.44066069220578 78.960 > 17 18 Se 0.78836878038235 0.88016252464512 0.44066069220578 78.960 > 17 19 Se 0.28836878038235 0.88016252464512 0.94066069220578 78.960 > 17 20 Se 0.78836878038235 0.88016252464512 0.94066069220578 78.960 > 17 21 Se 0.21163121961765 0.38016252464512 0.05933930779422 78.960 > 21 22 Se 0.71163121961765 0.38016252464512 0.05933930779422 78.960 > 21 23 Se 0.21163121961765 0.38016252464512 0.55933930779422 78.960 > 21 24 Se 0.71163121961765 0.38016252464512 0.55933930779422 78.960 > 21 25 Se 0.46163121961765 0.11983747535488 0.19066069220578 78.960 > 25 26 Se 0.96163121961765 0.11983747535488 0.19066069220578 78.960 > 25 27 Se 0.46163121961765 0.11983747535488 0.69066069220578 78.960 > 25 28 Se 0.96163121961765 0.11983747535488 0.69066069220578 78.960 > 25 29 Se 0.21163121961765 0.11983747535488 0.05933930779422 78.960 > 29 30 Se 0.71163121961765 0.11983747535488 0.05933930779422 78.960 > 29 31 Se 0.21163121961765 0.11983747535488 0.55933930779422 78.960 > 29 32 Se 0.71163121961765 0.11983747535488 0.55933930779422 78.960 > 29 33 Br 0.20746448638136 0.40098451871764 0.31594567893109 79.904 > 33 34 Br 0.70746448638136 0.40098451871764 0.31594567893109 79.904 > 33 35 Br 0.20746448638136 0.40098451871764 0.81594567893109 79.904 > 33 36 Br 0.70746448638136 0.40098451871764 0.81594567893109 79.904 > 33 37 Br 0.29253551361864 0.90098451871763 0.18405432106891 79.904 > 37 38 Br 0.79253551361864 0.90098451871763 0.18405432106891 79.904 > 37 39 Br 0.29253551361864 0.90098451871763 0.68405432106891 79.904 > 37 40 Br 0.79253551361864 0.90098451871763 0.68405432106891 79.904 > 37 41 Br 0.04253551361864 0.59901548128237 0.06594567893109 79.904 > 41 42 Br 0.54253551361864 0.59901548128237 0.06594567893109 79.904 > 41 43 Br 0.04253551361864 0.59901548128237 0.56594567893109 79.904 > 41 44 Br 0.54253551361864 0.59901548128237 0.56594567893109 79.904 > 41 45 Br 0.04253551361864 0.90098451871763 0.06594567893109 79.904 > 45 46 Br 0.54253551361864 0.90098451871763 0.06594567893109 79.904 > 45 47 Br 0.04253551361864 0.90098451871763 0.56594567893109 79.904 > 45 48 Br 0.54253551361864 0.90098451871763 0.56594567893109 79.904 > 45 49 Br 0.45746448638136 0.40098451871764 0.43405432106891 79.904 > 49 50 Br 0.95746448638136 0.40098451871764 0.43405432106891 79.904 > 49 51 Br 0.45746448638136 0.40098451871764 0.93405432106891 79.904 > 49 52 Br 0.95746448638136 0.40098451871764 0.93405432106891 79.904 > 49 53 Br 0.20746448638136 0.09901548128236 0.31594567893109 79.904 > 53 54 Br 0.70746448638136 0.09901548128236 0.31594567893109 79.904 > 53 55 Br 0.20746448638136 0.09901548128236 0.81594567893109 79.904 > 53 56 Br 0.70746448638136 0.09901548128236 0.81594567893109 79.904 > 53 57 Br 0.45746448638136 0.09901548128236 0.43405432106891 79.904 > 57 58 Br 0.95746448638136 0.09901548128236 0.43405432106891 79.904 > 57 59 Br 0.45746448638136 0.09901548128236 0.93405432106891 79.904 > 57 60 Br 0.95746448638136 0.09901548128236 0.93405432106891 79.904 > 57 61 Br 0.29253551361864 0.59901548128237 0.18405432106891 79.904 > 61 62 Br 0.79253551361864 0.59901548128237 0.18405432106891 79.904 > 61 63 Br 0.29253551361864 0.59901548128237 0.68405432106891 79.904 > 61 64 Br 0.79253551361864 0.59901548128237 0.68405432106891 79.904 > 61 65 Au 0.41316909818902 0.75000000000000 0.37412075326942 196.967 > 65 66 Au 0.91316909818902 0.75000000000000 0.37412075326942 196.967 > 65 67 Au 0.41316909818902 0.75000000000000 0.87412075326942 196.967 > 65 68 Au 0.91316909818902 0.75000000000000 0.87412075326942 196.967 > 65 69 Au 0.16316909818902 0.75000000000000 0.37587924673058 196.967 > 69 70 Au 0.66316909818902 0.75000000000000 0.37587924673058 196.967 > 69 71 Au 0.16316909818902 0.75000000000000 0.87587924673058 196.967 > 69 72 Au 0.66316909818902 0.75000000000000 0.87587924673058 196.967 > 69 73 Au 0.33683090181098 0.25000000000000 0.12412075326942 196.967 > 73 74 Au 0.83683090181098 0.25000000000000 0.12412075326942 196.967 > 73 75 Au 0.33683090181098 0.25000000000000 0.62412075326942 196.967 > 73 76 Au 0.83683090181098 0.25000000000000 0.62412075326942 196.967 > 73 77 Au 0.08683090181098 0.25000000000000 0.12587924673058 196.967 > 77 78 Au 0.58683090181098 0.25000000000000 0.12587924673058 196.967 > 77 79 Au 0.08683090181098 0.25000000000000 0.62587924673058 196.967 > 77 80 Au 0.58683090181098 0.25000000000000 0.62587924673058 196.967 > 77 81 Au 0.04162302806784 0.75000000000000 0.18109386745271 196.967 > 81 82 Au 0.54162302806784 0.75000000000000 0.18109386745271 196.967 > 81 83 Au 0.04162302806784 0.75000000000000 0.68109386745271 196.967 > 81 84 Au 0.54162302806784 0.75000000000000 0.68109386745271 196.967 > 81 85 Au 0.29162302806784 0.75000000000000 0.06890613254729 196.967 > 85 86 Au 0.79162302806784 0.75000000000000 0.06890613254729 196.967 > 85 87 Au 0.29162302806784 0.75000000000000 0.56890613254729 196.967 > 85 88 Au 0.79162302806784 0.75000000000000 0.56890613254729 196.967 > 85 89 Au 0.20837697193216 0.25000000000000 0.43109386745271 196.967 > 89 90 Au 0.70837697193216 0.25000000000000 0.43109386745271 196.967 > 89 91 Au 0.20837697193216 0.25000000000000 0.93109386745271 196.967 > 89 92 Au 0.70837697193216 0.25000000000000 0.93109386745271 196.967 > 89 93 Au 0.45837697193216 0.25000000000000 0.31890613254729 196.967 > 93 94 Au 0.95837697193216 0.25000000000000 0.31890613254729 196.967 > 93 95 Au 0.45837697193216 0.25000000000000 0.81890613254729 196.967 > 93 96 Au 0.95837697193216 0.25000000000000 0.81890613254729 196.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.4901376 0.0000000 0.0000000 0.0000000 12.1532765 0.0000000 0.0000000 0.0000000 12.6688644 -------------------------- Born effective charges -------------------------- 1 Se -0.4695308 0.1331316 -0.1665446 0.0301433 1.2618439 0.3196230 -0.0190723 0.6759223 -0.0820866 2 Se -0.4695308 -0.1331316 0.1665446 -0.0301433 1.2618439 0.3196230 0.0190723 0.6759223 -0.0820866 3 Se -0.4695308 -0.1331316 -0.1665446 -0.0301433 1.2618439 -0.3196230 -0.0190723 -0.6759223 -0.0820866 4 Se -0.4695308 -0.1331316 -0.1665446 -0.0301433 1.2618439 -0.3196230 -0.0190723 -0.6759223 -0.0820866 5 Se -0.4695308 0.1331316 0.1665446 0.0301433 1.2618439 -0.3196230 0.0190723 -0.6759223 -0.0820866 6 Se -0.4695308 -0.1331316 0.1665446 -0.0301433 1.2618439 0.3196230 0.0190723 0.6759223 -0.0820866 7 Se -0.4695308 0.1331316 -0.1665446 0.0301433 1.2618439 0.3196230 -0.0190723 0.6759223 -0.0820866 8 Se -0.4695308 0.1331316 0.1665446 0.0301433 1.2618439 -0.3196230 0.0190723 -0.6759223 -0.0820866 9 Br -0.9360187 0.2509680 -0.4275697 -0.0031670 -1.8309185 0.3407676 -0.3848572 0.7395056 -1.6937295 10 Br -0.9360187 -0.2509680 -0.4275697 0.0031670 -1.8309185 -0.3407676 -0.3848572 -0.7395056 -1.6937295 11 Br -0.9360187 0.2509680 0.4275697 -0.0031670 -1.8309185 -0.3407676 0.3848572 -0.7395056 -1.6937295 12 Br -0.9360187 -0.2509680 0.4275697 0.0031670 -1.8309185 0.3407676 0.3848572 0.7395056 -1.6937295 13 Br -0.9360187 0.2509680 0.4275697 -0.0031670 -1.8309185 -0.3407676 0.3848572 -0.7395056 -1.6937295 14 Br -0.9360187 -0.2509680 -0.4275697 0.0031670 -1.8309185 -0.3407676 -0.3848572 -0.7395056 -1.6937295 15 Br -0.9360187 -0.2509680 0.4275697 0.0031670 -1.8309185 0.3407676 0.3848572 0.7395056 -1.6937295 16 Br -0.9360187 0.2509680 -0.4275697 -0.0031670 -1.8309185 0.3407676 -0.3848572 0.7395056 -1.6937295 17 Au 2.2285403 0.0000000 -0.7535336 0.0000000 0.0479728 0.0000000 -0.5780838 0.0000000 1.4547783 18 Au 2.2285403 0.0000000 0.7535336 0.0000000 0.0479728 0.0000000 0.5780838 0.0000000 1.4547783 19 Au 2.2285403 0.0000000 0.7535336 0.0000000 0.0479728 0.0000000 0.5780838 0.0000000 1.4547783 20 Au 2.2285403 0.0000000 -0.7535336 0.0000000 0.0479728 0.0000000 -0.5780838 0.0000000 1.4547783 21 Au 0.5825586 0.0000000 -0.2092876 0.0000000 1.0901763 0.0000000 -0.4363952 0.0000000 2.0968538 22 Au 0.5825586 0.0000000 0.2092876 0.0000000 1.0901763 0.0000000 0.4363952 0.0000000 2.0968538 23 Au 0.5825586 0.0000000 0.2092876 0.0000000 1.0901763 0.0000000 0.4363952 0.0000000 2.0968538 24 Au 0.5825586 0.0000000 -0.2092876 0.0000000 1.0901763 0.0000000 -0.4363952 0.0000000 2.0968538 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) 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 ... [ 7 4 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: 0.49, Number of G-points: 299, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.000 ( 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 0.407 ( 0.000 0.000 0.000) 0.000 0.650 ( 0.000 0.000 0.000) 0.000 0.767 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.082 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.502 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.198 ( 9.255 0.000 0.000) 9.255 0.228 ( 11.088 0.000 0.000) 11.088 0.439 ( 2.927 0.000 0.000) 2.927 0.446 ( 19.973 0.000 0.000) 19.973 0.748 ( 6.948 0.000 0.000) 6.948 0.798 ( 2.811 0.000 0.000) 2.811 1.024 ( -1.431 0.000 0.000) 1.431 1.090 ( 3.225 0.000 0.000) 3.225 1.198 ( -0.154 0.000 0.000) 0.154 1.258 ( 0.653 0.000 0.000) 0.653 1.298 ( 6.214 0.000 0.000) 6.214 1.410 ( 0.956 0.000 0.000) 0.956 1.451 ( 2.294 0.000 0.000) 2.294 1.518 ( 2.009 0.000 0.000) 2.009 1.697 ( -3.034 0.000 0.000) 3.034 1.768 ( 1.783 0.000 0.000) 1.783 1.795 ( -1.999 0.000 0.000) 1.999 1.811 ( -1.770 0.000 0.000) 1.770 1.930 ( 1.744 0.000 0.000) 1.744 1.958 ( -5.135 0.000 0.000) 5.135 2.039 ( 1.362 0.000 0.000) 1.362 2.060 ( -9.745 0.000 0.000) 9.745 2.154 ( -2.912 0.000 0.000) 2.912 2.230 ( -1.027 0.000 0.000) 1.027 2.336 ( -0.657 0.000 0.000) 0.657 2.350 ( -3.244 0.000 0.000) 3.244 2.353 ( -5.700 0.000 0.000) 5.700 2.374 ( -0.488 0.000 0.000) 0.488 2.511 ( -1.425 0.000 0.000) 1.425 2.520 ( -0.063 0.000 0.000) 0.063 2.532 ( 0.966 0.000 0.000) 0.966 2.648 ( -1.363 0.000 0.000) 1.363 2.731 ( -0.494 0.000 0.000) 0.494 2.793 ( 1.165 0.000 0.000) 1.165 2.820 ( 0.126 0.000 0.000) 0.126 2.834 ( -3.320 0.000 0.000) 3.320 2.954 ( -4.581 0.000 0.000) 4.581 3.120 ( 1.261 0.000 0.000) 1.261 3.191 ( -2.783 0.000 0.000) 2.783 3.282 ( -6.582 0.000 0.000) 6.582 4.582 ( 4.955 0.000 0.000) 4.955 4.624 ( 4.656 0.000 0.000) 4.656 4.667 ( 0.797 0.000 0.000) 0.797 4.701 ( 2.055 0.000 0.000) 2.055 5.020 ( -0.845 0.000 0.000) 0.845 5.105 ( -0.583 0.000 0.000) 0.583 5.265 ( 4.950 0.000 0.000) 4.950 5.269 ( -1.361 0.000 0.000) 1.361 5.300 ( 5.094 0.000 0.000) 5.094 5.345 ( 1.415 0.000 0.000) 1.415 5.358 ( 1.084 0.000 0.000) 1.084 5.388 ( 1.558 0.000 0.000) 1.558 5.634 ( 0.635 0.000 0.000) 0.635 5.660 ( 1.116 0.000 0.000) 1.116 5.825 ( 2.916 0.000 0.000) 2.916 5.838 ( 2.281 0.000 0.000) 2.281 6.231 ( -1.362 0.000 0.000) 1.362 6.235 ( -4.362 0.000 0.000) 4.362 6.260 ( -4.160 0.000 0.000) 4.160 6.316 ( -1.194 0.000 0.000) 1.194 6.422 ( -0.391 0.000 0.000) 0.391 6.512 ( 1.388 0.000 0.000) 1.388 6.515 ( 3.265 0.000 0.000) 3.265 6.534 ( -1.383 0.000 0.000) 1.383 6.613 ( 0.783 0.000 0.000) 0.783 6.669 ( 0.397 0.000 0.000) 0.397 6.841 ( -1.914 0.000 0.000) 1.914 6.901 ( -2.377 0.000 0.000) 2.377 7.206 ( 1.564 0.000 0.000) 1.564 7.281 ( 0.881 0.000 0.000) 0.881 7.440 ( -0.883 0.000 0.000) 0.883 7.489 ( -1.293 0.000 0.000) 1.293 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.383 ( 8.472 0.000 0.000) 8.472 0.452 ( 9.703 0.000 0.000) 9.703 0.516 ( 4.047 0.000 0.000) 4.047 0.751 ( 4.372 0.000 0.000) 4.372 0.867 ( 7.511 0.000 0.000) 7.511 0.876 ( 4.436 0.000 0.000) 4.436 1.016 ( 1.632 0.000 0.000) 1.632 1.192 ( 0.194 0.000 0.000) 0.194 1.266 ( -0.246 0.000 0.000) 0.246 1.272 ( 12.770 0.000 0.000) 12.770 1.391 ( 4.858 0.000 0.000) 4.858 1.506 ( 2.577 0.000 0.000) 2.577 1.561 ( 12.639 0.000 0.000) 12.639 1.603 ( 6.143 0.000 0.000) 6.143 1.626 ( -2.557 0.000 0.000) 2.557 1.731 ( -4.105 0.000 0.000) 4.105 1.752 ( -3.874 0.000 0.000) 3.874 1.791 ( -11.960 0.000 0.000) 11.960 1.819 ( -10.959 0.000 0.000) 10.959 1.831 ( 4.434 0.000 0.000) 4.434 1.992 ( 4.067 0.000 0.000) 4.067 2.063 ( -5.692 0.000 0.000) 5.692 2.073 ( 1.922 0.000 0.000) 1.922 2.192 ( -2.800 0.000 0.000) 2.800 2.205 ( -8.187 0.000 0.000) 8.187 2.271 ( -4.364 0.000 0.000) 4.364 2.320 ( -0.732 0.000 0.000) 0.732 2.345 ( -2.127 0.000 0.000) 2.127 2.487 ( -0.515 0.000 0.000) 0.515 2.490 ( -6.514 0.000 0.000) 6.514 2.515 ( -0.391 0.000 0.000) 0.391 2.548 ( -9.288 0.000 0.000) 9.288 2.725 ( -0.236 0.000 0.000) 0.236 2.749 ( -3.131 0.000 0.000) 3.131 2.786 ( -0.704 0.000 0.000) 0.704 2.840 ( -4.709 0.000 0.000) 4.709 2.864 ( 3.002 0.000 0.000) 3.002 3.113 ( -5.996 0.000 0.000) 5.996 3.147 ( 1.108 0.000 0.000) 1.108 3.175 ( -1.253 0.000 0.000) 1.253 4.698 ( 2.087 0.000 0.000) 2.087 4.710 ( 6.248 0.000 0.000) 6.248 4.735 ( 5.058 0.000 0.000) 5.058 4.751 ( 2.571 0.000 0.000) 2.571 5.001 ( -0.635 0.000 0.000) 0.635 5.104 ( 1.135 0.000 0.000) 1.135 5.223 ( -3.218 0.000 0.000) 3.218 5.353 ( -1.851 0.000 0.000) 1.851 5.377 ( 4.653 0.000 0.000) 4.653 5.383 ( 1.992 0.000 0.000) 1.992 5.416 ( 5.004 0.000 0.000) 5.004 5.429 ( 2.136 0.000 0.000) 2.136 5.668 ( 3.286 0.000 0.000) 3.286 5.709 ( 3.991 0.000 0.000) 3.991 5.909 ( 4.588 0.000 0.000) 4.588 5.921 ( 5.969 0.000 0.000) 5.969 6.122 ( -6.305 0.000 0.000) 6.305 6.140 ( -7.114 0.000 0.000) 7.114 6.188 ( -2.765 0.000 0.000) 2.765 6.274 ( -2.953 0.000 0.000) 2.953 6.423 ( 0.354 0.000 0.000) 0.354 6.499 ( -1.784 0.000 0.000) 1.784 6.555 ( 2.767 0.000 0.000) 2.767 6.580 ( 2.838 0.000 0.000) 2.838 6.637 ( 1.598 0.000 0.000) 1.598 6.674 ( -0.095 0.000 0.000) 0.095 6.786 ( -3.222 0.000 0.000) 3.222 6.833 ( -3.990 0.000 0.000) 3.990 7.252 ( 2.773 0.000 0.000) 2.773 7.306 ( 1.507 0.000 0.000) 1.507 7.414 ( -1.576 0.000 0.000) 1.576 7.450 ( -2.410 0.000 0.000) 2.410 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.552 ( 7.644 0.000 0.000) 7.644 0.590 ( 2.548 0.000 0.000) 2.548 0.593 ( 3.093 0.000 0.000) 3.093 0.697 ( -5.898 0.000 0.000) 5.898 0.967 ( 3.674 0.000 0.000) 3.674 0.994 ( 2.067 0.000 0.000) 2.067 1.108 ( 6.277 0.000 0.000) 6.277 1.225 ( -4.092 0.000 0.000) 4.092 1.256 ( 7.362 0.000 0.000) 7.362 1.492 ( 7.867 0.000 0.000) 7.867 1.497 ( -14.208 0.000 0.000) 14.208 1.534 ( 5.141 0.000 0.000) 5.141 1.555 ( 2.500 0.000 0.000) 2.500 1.628 ( -5.521 0.000 0.000) 5.521 1.640 ( -6.315 0.000 0.000) 6.315 1.649 ( -5.923 0.000 0.000) 5.923 1.702 ( 12.568 0.000 0.000) 12.568 1.757 ( 8.063 0.000 0.000) 8.063 1.887 ( 17.629 0.000 0.000) 17.629 1.923 ( -7.565 0.000 0.000) 7.565 1.952 ( 6.893 0.000 0.000) 6.893 1.994 ( -12.577 0.000 0.000) 12.577 2.096 ( -6.301 0.000 0.000) 6.301 2.101 ( 6.593 0.000 0.000) 6.593 2.122 ( 2.927 0.000 0.000) 2.927 2.177 ( -5.146 0.000 0.000) 5.146 2.261 ( -13.343 0.000 0.000) 13.343 2.294 ( -12.883 0.000 0.000) 12.883 2.308 ( -0.343 0.000 0.000) 0.343 2.311 ( -0.783 0.000 0.000) 0.783 2.490 ( 0.551 0.000 0.000) 0.551 2.504 ( -0.690 0.000 0.000) 0.690 2.718 ( -0.362 0.000 0.000) 0.362 2.719 ( -0.274 0.000 0.000) 0.274 2.778 ( -0.025 0.000 0.000) 0.025 2.786 ( -0.981 0.000 0.000) 0.981 2.931 ( 3.354 0.000 0.000) 3.354 3.007 ( -4.084 0.000 0.000) 4.084 3.163 ( 0.475 0.000 0.000) 0.475 3.168 ( -0.073 0.000 0.000) 0.073 4.747 ( 2.262 0.000 0.000) 2.262 4.776 ( 0.088 0.000 0.000) 0.088 4.802 ( 2.106 0.000 0.000) 2.106 4.817 ( 1.594 0.000 0.000) 1.594 5.025 ( 3.730 0.000 0.000) 3.730 5.132 ( -5.334 0.000 0.000) 5.334 5.170 ( 4.950 0.000 0.000) 4.950 5.280 ( -4.865 0.000 0.000) 4.865 5.420 ( 1.412 0.000 0.000) 1.412 5.431 ( 0.669 0.000 0.000) 0.669 5.468 ( 1.403 0.000 0.000) 1.403 5.477 ( 0.867 0.000 0.000) 0.867 5.789 ( 7.887 0.000 0.000) 7.887 5.829 ( 7.044 0.000 0.000) 7.044 5.967 ( -8.599 0.000 0.000) 8.599 5.983 ( -7.430 0.000 0.000) 7.430 6.014 ( 5.207 0.000 0.000) 5.207 6.060 ( 6.825 0.000 0.000) 6.825 6.115 ( -4.230 0.000 0.000) 4.230 6.189 ( -5.237 0.000 0.000) 5.237 6.437 ( 0.985 0.000 0.000) 0.985 6.464 ( -1.557 0.000 0.000) 1.557 6.626 ( 3.917 0.000 0.000) 3.917 6.631 ( 2.001 0.000 0.000) 2.001 6.662 ( -1.014 0.000 0.000) 1.014 6.680 ( 2.565 0.000 0.000) 2.565 6.711 ( -3.976 0.000 0.000) 3.976 6.747 ( -3.854 0.000 0.000) 3.854 7.316 ( 3.248 0.000 0.000) 3.248 7.342 ( 1.947 0.000 0.000) 1.947 7.375 ( -2.169 0.000 0.000) 2.169 7.393 ( -2.908 0.000 0.000) 2.908 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.221 ( 0.000 10.083 0.000) 10.083 0.264 ( 0.000 11.816 0.000) 11.816 0.425 ( 0.000 16.022 0.000) 16.022 0.543 ( 0.000 6.282 0.000) 6.282 0.611 ( 0.000 -1.544 0.000) 1.544 0.761 ( 0.000 2.561 0.000) 2.561 1.008 ( 0.000 -3.661 0.000) 3.661 1.043 ( 0.000 -1.828 0.000) 1.828 1.098 ( 0.000 -3.623 0.000) 3.623 1.172 ( 0.000 -7.120 0.000) 7.120 1.375 ( 0.000 6.231 0.000) 6.231 1.401 ( 0.000 2.403 0.000) 2.403 1.428 ( 0.000 2.639 0.000) 2.639 1.585 ( 0.000 -2.703 0.000) 2.703 1.679 ( 0.000 -4.353 0.000) 4.353 1.709 ( 0.000 -3.750 0.000) 3.750 1.823 ( 0.000 0.603 0.000) 0.603 1.834 ( 0.000 0.331 0.000) 0.331 1.927 ( 0.000 0.898 0.000) 0.898 1.952 ( 0.000 -0.183 0.000) 0.183 2.033 ( 0.000 2.089 0.000) 2.089 2.152 ( 0.000 -1.889 0.000) 1.889 2.200 ( 0.000 -0.521 0.000) 0.521 2.204 ( 0.000 -0.926 0.000) 0.926 2.358 ( 0.000 1.412 0.000) 1.412 2.374 ( 0.000 0.217 0.000) 0.217 2.396 ( 0.000 1.153 0.000) 1.153 2.436 ( 0.000 -0.229 0.000) 0.229 2.450 ( 0.000 -2.791 0.000) 2.791 2.497 ( 0.000 -4.960 0.000) 4.960 2.571 ( 0.000 2.334 0.000) 2.334 2.647 ( 0.000 -0.964 0.000) 0.964 2.742 ( 0.000 1.482 0.000) 1.482 2.815 ( 0.000 -1.232 0.000) 1.232 2.864 ( 0.000 6.571 0.000) 6.571 2.894 ( 0.000 2.276 0.000) 2.276 2.986 ( 0.000 -1.192 0.000) 1.192 3.077 ( 0.000 -2.563 0.000) 2.563 3.249 ( 0.000 1.520 0.000) 1.520 3.339 ( 0.000 -1.767 0.000) 1.767 4.534 ( 0.000 0.583 0.000) 0.583 4.565 ( 0.000 -0.572 0.000) 0.572 4.666 ( 0.000 0.134 0.000) 0.134 4.672 ( 0.000 -0.095 0.000) 0.095 5.122 ( 0.000 0.832 0.000) 0.832 5.172 ( 0.000 -1.008 0.000) 1.008 5.212 ( 0.000 0.402 0.000) 0.402 5.235 ( 0.000 -0.454 0.000) 0.454 5.294 ( 0.000 0.749 0.000) 0.749 5.331 ( 0.000 -0.592 0.000) 0.592 5.335 ( 0.000 0.451 0.000) 0.451 5.354 ( 0.000 -0.258 0.000) 0.258 5.630 ( 0.000 0.170 0.000) 0.170 5.645 ( 0.000 -0.388 0.000) 0.388 5.799 ( 0.000 0.289 0.000) 0.289 5.812 ( 0.000 -0.217 0.000) 0.217 6.294 ( 0.000 0.448 0.000) 0.448 6.305 ( 0.000 0.234 0.000) 0.234 6.308 ( 0.000 0.153 0.000) 0.153 6.323 ( 0.000 -0.452 0.000) 0.452 6.398 ( 0.000 0.938 0.000) 0.938 6.449 ( 0.000 -0.765 0.000) 0.765 6.507 ( 0.000 0.887 0.000) 0.887 6.547 ( 0.000 -0.414 0.000) 0.414 6.608 ( 0.000 0.495 0.000) 0.495 6.653 ( 0.000 -0.967 0.000) 0.967 6.864 ( 0.000 0.315 0.000) 0.315 6.910 ( 0.000 -1.560 0.000) 1.560 7.207 ( 0.000 1.440 0.000) 1.440 7.262 ( 0.000 -0.744 0.000) 0.744 7.457 ( 0.000 0.703 0.000) 0.703 7.495 ( 0.000 -0.700 0.000) 0.700 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 5.355 9.419 0.000) 10.835 0.345 ( 7.855 7.996 0.000) 11.209 0.569 ( 2.320 6.150 0.000) 6.573 0.580 ( 12.261 8.024 0.000) 14.653 0.703 ( 7.245 -1.298 0.000) 7.360 0.793 ( 2.936 2.423 0.000) 3.807 1.008 ( 0.234 -2.353 0.000) 2.364 1.084 ( 5.029 0.093 0.000) 5.030 1.184 ( 1.062 -6.777 0.000) 6.860 1.193 ( 7.495 -3.806 0.000) 8.406 1.345 ( -2.298 3.373 0.000) 4.081 1.407 ( 0.126 4.684 0.000) 4.686 1.491 ( 5.531 1.588 0.000) 5.755 1.536 ( -1.661 0.269 0.000) 1.683 1.646 ( -2.348 -4.148 0.000) 4.767 1.729 ( 1.676 -3.663 0.000) 4.028 1.803 ( -1.940 0.666 0.000) 2.051 1.816 ( -1.779 0.319 0.000) 1.807 1.940 ( 1.703 0.931 0.000) 1.941 1.978 ( -5.639 1.669 0.000) 5.881 2.001 ( 2.680 -2.029 0.000) 3.362 2.049 ( -9.137 -1.005 0.000) 9.192 2.151 ( -2.944 -0.049 0.000) 2.944 2.207 ( -1.513 -1.954 0.000) 2.471 2.337 ( -3.232 -0.479 0.000) 3.267 2.351 ( -0.636 1.424 0.000) 1.560 2.357 ( -5.007 0.029 0.000) 5.007 2.391 ( -0.835 1.111 0.000) 1.389 2.463 ( -0.719 -2.510 0.000) 2.611 2.483 ( -0.831 -3.767 0.000) 3.857 2.571 ( -0.449 2.019 0.000) 2.069 2.639 ( -1.247 -0.877 0.000) 1.525 2.741 ( -0.034 1.228 0.000) 1.229 2.802 ( -1.036 -0.899 0.000) 1.372 2.863 ( -3.153 2.435 0.000) 3.984 2.875 ( 1.370 5.892 0.000) 6.049 2.948 ( -4.006 -0.696 0.000) 4.066 3.091 ( 1.129 -2.775 0.000) 2.996 3.200 ( -3.500 0.865 0.000) 3.605 3.265 ( -6.292 -1.505 0.000) 6.470 4.589 ( 4.942 0.579 0.000) 4.976 4.619 ( 4.737 -0.522 0.000) 4.766 4.672 ( 0.986 0.470 0.000) 1.092 4.697 ( 1.873 -0.424 0.000) 1.921 5.092 ( -4.261 2.797 0.000) 5.097 5.109 ( -1.082 0.323 0.000) 1.129 5.266 ( 3.539 0.338 0.000) 3.555 5.284 ( 0.758 0.907 0.000) 1.183 5.295 ( 4.481 -0.249 0.000) 4.488 5.346 ( 0.793 -1.072 0.000) 1.334 5.351 ( 1.500 0.515 0.000) 1.586 5.378 ( 1.840 -0.657 0.000) 1.954 5.638 ( 0.844 0.345 0.000) 0.912 5.656 ( 1.156 -0.347 0.000) 1.207 5.827 ( 2.824 0.211 0.000) 2.832 5.836 ( 2.379 -0.127 0.000) 2.382 6.233 ( -4.133 0.599 0.000) 4.176 6.254 ( -4.107 0.179 0.000) 4.111 6.269 ( -3.054 1.007 0.000) 3.216 6.311 ( -1.445 -0.644 0.000) 1.582 6.426 ( 1.071 0.877 0.000) 1.384 6.496 ( 3.276 -1.446 0.000) 3.581 6.519 ( 1.124 0.662 0.000) 1.304 6.539 ( -0.782 0.236 0.000) 0.816 6.613 ( 0.553 0.204 0.000) 0.589 6.656 ( 0.262 -1.125 0.000) 1.155 6.845 ( -1.851 0.370 0.000) 1.888 6.886 ( -2.204 -1.260 0.000) 2.539 7.220 ( 1.317 1.238 0.000) 1.807 7.272 ( 0.923 -0.778 0.000) 1.207 7.447 ( -0.945 0.647 0.000) 1.145 7.482 ( -1.235 -0.645 0.000) 1.393 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 6.649 6.477 0.000) 9.282 0.517 ( 8.267 5.214 0.000) 9.774 0.631 ( 3.360 5.807 0.000) 6.709 0.741 ( 2.127 -2.760 0.000) 3.484 0.875 ( 4.628 2.107 0.000) 5.085 0.899 ( 9.923 4.400 0.000) 10.854 1.034 ( 2.488 0.823 0.000) 2.621 1.208 ( 0.819 -5.579 0.000) 5.639 1.233 ( 2.198 2.475 0.000) 3.311 1.308 ( 8.087 3.468 0.000) 8.799 1.401 ( 6.959 -3.875 0.000) 7.965 1.448 ( 6.631 1.815 0.000) 6.875 1.535 ( 1.495 -2.848 0.000) 3.217 1.609 ( 1.184 -1.096 0.000) 1.613 1.650 ( 8.541 2.450 0.000) 8.886 1.738 ( -4.537 0.633 0.000) 4.581 1.757 ( -4.117 0.192 0.000) 4.122 1.792 ( 4.762 -3.401 0.000) 5.851 1.793 ( -11.755 0.352 0.000) 11.760 1.818 ( -11.345 -0.211 0.000) 11.347 1.998 ( 3.811 0.612 0.000) 3.860 2.052 ( 2.504 -1.630 0.000) 2.987 2.064 ( -5.529 0.386 0.000) 5.542 2.145 ( -4.702 -2.719 0.000) 5.432 2.239 ( -5.864 1.383 0.000) 6.025 2.258 ( -4.281 -0.664 0.000) 4.332 2.334 ( -0.840 1.449 0.000) 1.675 2.357 ( -2.271 0.927 0.000) 2.453 2.441 ( -0.862 -3.006 0.000) 3.127 2.469 ( -0.671 -3.729 0.000) 3.789 2.507 ( -7.328 0.986 0.000) 7.395 2.548 ( -8.698 -0.315 0.000) 8.704 2.742 ( 0.097 1.165 0.000) 1.169 2.777 ( -3.440 2.171 0.000) 4.068 2.782 ( -0.708 -0.466 0.000) 0.848 2.841 ( -4.728 -0.147 0.000) 4.730 2.916 ( 2.379 4.600 0.000) 5.179 3.116 ( 1.117 -2.903 0.000) 3.110 3.117 ( -5.219 0.469 0.000) 5.240 3.162 ( -1.567 -1.145 0.000) 1.941 4.707 ( 2.163 0.717 0.000) 2.279 4.715 ( 6.159 0.449 0.000) 6.176 4.733 ( 5.280 -0.204 0.000) 5.284 4.744 ( 2.510 -0.656 0.000) 2.594 5.031 ( -1.522 2.128 0.000) 2.617 5.095 ( 0.401 -0.846 0.000) 0.936 5.239 ( -3.022 1.453 0.000) 3.354 5.329 ( -1.881 -1.978 0.000) 2.730 5.386 ( 4.573 0.626 0.000) 4.616 5.391 ( 2.103 0.696 0.000) 2.215 5.412 ( 4.901 -0.383 0.000) 4.916 5.423 ( 2.244 -0.542 0.000) 2.309 5.677 ( 3.464 0.717 0.000) 3.537 5.705 ( 3.940 -0.380 0.000) 3.958 5.911 ( 4.778 0.196 0.000) 4.782 5.920 ( 5.761 -0.123 0.000) 5.762 6.123 ( -6.274 0.164 0.000) 6.277 6.136 ( -6.951 -0.247 0.000) 6.955 6.205 ( -3.201 1.348 0.000) 3.473 6.264 ( -3.101 -0.942 0.000) 3.241 6.445 ( 0.841 2.038 0.000) 2.205 6.515 ( -1.271 1.317 0.000) 1.831 6.556 ( 2.236 -0.031 0.000) 2.236 6.557 ( 2.535 -2.041 0.000) 3.255 6.634 ( 1.427 -0.221 0.000) 1.444 6.660 ( 0.072 -1.132 0.000) 1.134 6.791 ( -3.183 0.426 0.000) 3.211 6.823 ( -3.706 -0.821 0.000) 3.796 7.261 ( 2.503 0.795 0.000) 2.626 7.299 ( 1.634 -0.641 0.000) 1.755 7.419 ( -1.701 0.472 0.000) 1.765 7.445 ( -2.291 -0.478 0.000) 2.340 ======================= Grid point 10 (8/48) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 5.647 4.306 0.000) 7.102 0.644 ( 2.366 3.716 0.000) 4.406 0.694 ( 2.318 5.202 0.000) 5.695 0.732 ( -1.999 1.829 0.000) 2.709 0.972 ( 4.134 1.939 0.000) 4.566 1.017 ( 0.908 2.652 0.000) 2.803 1.115 ( 4.923 0.286 0.000) 4.931 1.198 ( -2.229 -2.888 0.000) 3.648 1.281 ( 6.365 2.313 0.000) 6.772 1.468 ( 5.338 -4.369 0.000) 6.898 1.502 ( -13.410 0.713 0.000) 13.429 1.524 ( 4.455 0.641 0.000) 4.501 1.553 ( 4.968 0.946 0.000) 5.057 1.601 ( -8.537 -2.934 0.000) 9.027 1.639 ( -5.724 0.923 0.000) 5.798 1.660 ( -5.431 0.550 0.000) 5.459 1.728 ( 12.796 -0.931 0.000) 12.830 1.732 ( 10.953 0.673 0.000) 10.973 1.897 ( 15.095 0.416 0.000) 15.101 1.922 ( -8.012 0.334 0.000) 8.019 1.925 ( 7.605 -1.983 0.000) 7.860 1.997 ( -9.979 -1.046 0.000) 10.034 2.094 ( -8.075 0.793 0.000) 8.114 2.101 ( 6.297 0.040 0.000) 6.297 2.114 ( 3.645 -0.624 0.000) 3.698 2.163 ( -5.952 -1.185 0.000) 6.069 2.266 ( -12.942 0.528 0.000) 12.953 2.287 ( -11.125 -0.215 0.000) 11.127 2.320 ( -0.408 1.327 0.000) 1.389 2.328 ( -2.650 1.129 0.000) 2.880 2.442 ( 0.343 -3.687 0.000) 3.703 2.454 ( -0.712 -3.857 0.000) 3.922 2.742 ( -0.079 1.436 0.000) 1.438 2.743 ( -0.414 1.705 0.000) 1.754 2.775 ( 0.035 -0.284 0.000) 0.286 2.785 ( -1.093 -0.197 0.000) 1.111 2.970 ( 2.693 3.446 0.000) 4.373 3.030 ( -3.260 2.167 0.000) 3.914 3.135 ( 0.710 -2.624 0.000) 2.719 3.146 ( -0.451 -2.000 0.000) 2.050 4.755 ( 2.259 0.778 0.000) 2.389 4.783 ( 0.241 0.652 0.000) 0.695 4.795 ( 2.156 -0.673 0.000) 2.258 4.813 ( 1.326 -0.432 0.000) 1.394 5.048 ( 3.613 1.932 0.000) 4.097 5.148 ( 4.593 -1.929 0.000) 4.981 5.151 ( -5.187 1.742 0.000) 5.472 5.255 ( -4.839 -2.182 0.000) 5.308 5.430 ( 1.452 0.825 0.000) 1.670 5.441 ( 0.726 0.796 0.000) 1.078 5.464 ( 1.453 -0.438 0.000) 1.518 5.473 ( 0.892 -0.418 0.000) 0.985 5.797 ( 7.682 0.681 0.000) 7.712 5.825 ( 7.104 -0.395 0.000) 7.115 5.970 ( -8.369 0.250 0.000) 8.373 5.981 ( -7.520 -0.181 0.000) 7.522 6.021 ( 5.437 0.617 0.000) 5.472 6.054 ( 6.588 -0.571 0.000) 6.613 6.126 ( -4.439 1.009 0.000) 4.552 6.179 ( -5.125 -0.925 0.000) 5.207 6.464 ( 0.998 2.436 0.000) 2.632 6.488 ( -1.257 2.143 0.000) 2.484 6.600 ( 1.463 -2.667 0.000) 3.042 6.604 ( 1.617 -2.087 0.000) 2.640 6.661 ( 1.210 0.148 0.000) 1.219 6.679 ( 2.358 -0.274 0.000) 2.373 6.718 ( -3.593 0.567 0.000) 3.637 6.743 ( -3.658 -0.403 0.000) 3.680 7.320 ( 3.035 0.349 0.000) 3.055 7.339 ( 2.119 -0.334 0.000) 2.145 7.378 ( -2.278 0.220 0.000) 2.288 7.390 ( -2.798 -0.231 0.000) 2.808 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 -8.083 0.000) 8.083 0.418 ( 0.000 8.083 0.000) 8.083 0.485 ( 0.000 -8.399 0.000) 8.399 0.485 ( 0.000 8.399 0.000) 8.399 0.831 ( 0.000 -13.222 0.000) 13.222 0.831 ( 0.000 13.222 0.000) 13.222 0.962 ( 0.000 -11.953 0.000) 11.953 0.962 ( 0.000 11.953 0.000) 11.953 1.036 ( 0.000 -1.292 0.000) 1.292 1.036 ( 0.000 1.292 0.000) 1.292 1.438 ( 0.000 -1.376 0.000) 1.376 1.438 ( 0.000 1.376 0.000) 1.376 1.536 ( 0.000 -4.674 0.000) 4.674 1.536 ( 0.000 4.674 0.000) 4.674 1.615 ( 0.000 -2.909 0.000) 2.909 1.615 ( 0.000 2.909 0.000) 2.909 1.835 ( 0.000 -0.340 0.000) 0.340 1.835 ( 0.000 0.340 0.000) 0.340 1.944 ( 0.000 -0.577 0.000) 0.577 1.944 ( 0.000 0.577 0.000) 0.577 2.093 ( 0.000 -3.242 0.000) 3.242 2.093 ( 0.000 3.242 0.000) 3.242 2.194 ( 0.000 -0.057 0.000) 0.057 2.194 ( 0.000 0.057 0.000) 0.057 2.397 ( 0.000 -1.840 0.000) 1.840 2.397 ( 0.000 1.840 0.000) 1.840 2.407 ( 0.000 -3.322 0.000) 3.322 2.407 ( 0.000 3.322 0.000) 3.322 2.423 ( 0.000 -0.975 0.000) 0.975 2.423 ( 0.000 0.975 0.000) 0.975 2.616 ( 0.000 -1.855 0.000) 1.855 2.616 ( 0.000 1.855 0.000) 1.855 2.780 ( 0.000 -1.895 0.000) 1.895 2.780 ( 0.000 1.895 0.000) 1.895 2.947 ( 0.000 -2.409 0.000) 2.409 2.947 ( 0.000 2.409 0.000) 2.409 2.994 ( 0.000 -5.209 0.000) 5.209 2.994 ( 0.000 5.209 0.000) 5.209 3.293 ( 0.000 -2.371 0.000) 2.371 3.293 ( 0.000 2.371 0.000) 2.371 4.549 ( 0.000 -0.815 0.000) 0.815 4.549 ( 0.000 0.815 0.000) 0.815 4.669 ( 0.000 -0.166 0.000) 0.166 4.669 ( 0.000 0.166 0.000) 0.166 5.146 ( 0.000 -1.296 0.000) 1.296 5.146 ( 0.000 1.296 0.000) 1.296 5.224 ( 0.000 -0.595 0.000) 0.595 5.224 ( 0.000 0.595 0.000) 0.595 5.313 ( 0.000 -0.976 0.000) 0.976 5.313 ( 0.000 0.976 0.000) 0.976 5.346 ( 0.000 -0.486 0.000) 0.486 5.346 ( 0.000 0.486 0.000) 0.486 5.636 ( 0.000 -0.409 0.000) 0.409 5.636 ( 0.000 0.409 0.000) 0.409 5.806 ( 0.000 -0.356 0.000) 0.356 5.806 ( 0.000 0.356 0.000) 0.356 6.305 ( 0.000 -0.389 0.000) 0.389 6.305 ( 0.000 0.389 0.000) 0.389 6.313 ( 0.000 -0.320 0.000) 0.320 6.313 ( 0.000 0.320 0.000) 0.320 6.425 ( 0.000 -1.364 0.000) 1.364 6.425 ( 0.000 1.364 0.000) 1.364 6.530 ( 0.000 -1.106 0.000) 1.106 6.530 ( 0.000 1.106 0.000) 1.106 6.628 ( 0.000 -1.225 0.000) 1.225 6.628 ( 0.000 1.225 0.000) 1.225 6.879 ( 0.000 -1.148 0.000) 1.148 6.879 ( 0.000 1.148 0.000) 1.148 7.239 ( 0.000 -1.400 0.000) 1.400 7.239 ( 0.000 1.400 0.000) 1.400 7.476 ( 0.000 -0.990 0.000) 0.990 7.476 ( 0.000 0.990 0.000) 0.990 ======================= Grid point 16 (10/48) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 6.784 -7.631 0.000) 10.211 0.516 ( 6.784 7.631 0.000) 10.211 0.521 ( 3.217 -7.674 0.000) 8.321 0.521 ( 3.217 7.674 0.000) 8.321 0.880 ( 4.908 -10.045 0.000) 11.180 0.880 ( 4.908 10.045 0.000) 11.180 0.983 ( 1.912 -11.473 0.000) 11.631 0.983 ( 1.912 11.473 0.000) 11.631 1.108 ( 6.920 -2.519 0.000) 7.364 1.108 ( 6.920 2.519 0.000) 7.364 1.434 ( -1.654 -3.772 0.000) 4.119 1.434 ( -1.654 3.772 0.000) 4.119 1.533 ( 1.069 -3.564 0.000) 3.721 1.533 ( 1.069 3.564 0.000) 3.721 1.624 ( 1.253 -5.193 0.000) 5.342 1.624 ( 1.253 5.193 0.000) 5.342 1.816 ( -1.836 -0.386 0.000) 1.876 1.816 ( -1.836 0.386 0.000) 1.876 1.966 ( 1.883 -1.396 0.000) 2.344 1.966 ( 1.883 1.396 0.000) 2.344 2.018 ( -7.360 -1.849 0.000) 7.589 2.018 ( -7.360 1.849 0.000) 7.589 2.165 ( -2.329 -1.500 0.000) 2.771 2.165 ( -2.329 1.500 0.000) 2.771 2.343 ( -3.910 -0.939 0.000) 4.021 2.343 ( -3.910 0.939 0.000) 4.021 2.402 ( -0.536 -3.336 0.000) 3.379 2.402 ( -0.536 3.336 0.000) 3.379 2.420 ( -1.073 -1.614 0.000) 1.938 2.420 ( -1.073 1.614 0.000) 1.938 2.611 ( -0.983 -1.668 0.000) 1.936 2.611 ( -0.983 1.668 0.000) 1.936 2.773 ( -0.494 -1.617 0.000) 1.691 2.773 ( -0.494 1.617 0.000) 1.691 2.917 ( -3.200 -2.236 0.000) 3.904 2.917 ( -3.200 2.236 0.000) 3.904 3.003 ( 0.881 -5.393 0.000) 5.464 3.003 ( 0.881 5.393 0.000) 5.464 3.228 ( -5.139 -1.699 0.000) 5.413 3.228 ( -5.139 1.699 0.000) 5.413 4.604 ( 4.874 -0.785 0.000) 4.936 4.604 ( 4.874 0.785 0.000) 4.936 4.685 ( 1.433 -0.629 0.000) 1.565 4.685 ( 1.433 0.629 0.000) 1.565 5.115 ( -2.447 -0.048 0.000) 2.448 5.115 ( -2.447 0.048 0.000) 2.448 5.278 ( 4.184 -0.699 0.000) 4.242 5.278 ( 4.184 0.699 0.000) 4.242 5.317 ( 0.508 -1.512 0.000) 1.595 5.317 ( 0.508 1.512 0.000) 1.595 5.364 ( 1.681 -0.675 0.000) 1.812 5.364 ( 1.681 0.675 0.000) 1.812 5.647 ( 1.119 -0.486 0.000) 1.220 5.647 ( 1.119 0.486 0.000) 1.220 5.832 ( 2.605 -0.244 0.000) 2.616 5.832 ( 2.605 0.244 0.000) 2.616 6.248 ( -4.575 -0.628 0.000) 4.618 6.248 ( -4.575 0.628 0.000) 4.618 6.291 ( -1.932 -1.062 0.000) 2.204 6.291 ( -1.932 1.062 0.000) 2.204 6.459 ( 2.268 -1.884 0.000) 2.949 6.459 ( 2.268 1.884 0.000) 2.949 6.535 ( 0.428 -0.623 0.000) 0.755 6.535 ( 0.428 0.623 0.000) 0.755 6.629 ( 0.137 -1.246 0.000) 1.254 6.629 ( 0.137 1.246 0.000) 1.254 6.859 ( -1.871 -1.056 0.000) 2.148 6.859 ( -1.871 1.056 0.000) 2.148 7.249 ( 1.013 -1.327 0.000) 1.669 7.249 ( 1.013 1.327 0.000) 1.669 7.465 ( -1.091 -0.912 0.000) 1.422 7.465 ( -1.091 0.912 0.000) 1.422 ======================= Grid point 18 (11/48) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 4.567 -6.117 0.000) 7.634 0.606 ( 4.567 6.117 0.000) 7.634 0.641 ( 5.163 -5.885 0.000) 7.829 0.641 ( 5.163 5.885 0.000) 7.829 1.008 ( 5.968 -3.927 0.000) 7.144 1.008 ( 5.968 3.927 0.000) 7.144 1.035 ( 2.846 -9.983 0.000) 10.381 1.035 ( 2.846 9.983 0.000) 10.381 1.289 ( 6.144 -3.602 0.000) 7.122 1.289 ( 6.144 3.602 0.000) 7.122 1.419 ( 4.969 -5.135 0.000) 7.145 1.419 ( 4.969 5.135 0.000) 7.145 1.559 ( 1.552 -3.885 0.000) 4.183 1.559 ( 1.552 3.885 0.000) 4.183 1.710 ( 7.064 -3.572 0.000) 7.916 1.710 ( 7.064 3.572 0.000) 7.916 1.753 ( -4.771 -0.544 0.000) 4.802 1.753 ( -4.771 0.544 0.000) 4.802 1.807 ( -11.513 -0.753 0.000) 11.537 1.807 ( -11.513 0.753 0.000) 11.537 2.019 ( 3.206 -1.336 0.000) 3.473 2.019 ( 3.206 1.336 0.000) 3.473 2.091 ( -5.123 -2.096 0.000) 5.535 2.091 ( -5.123 2.096 0.000) 5.535 2.253 ( -4.698 -0.115 0.000) 4.699 2.253 ( -4.698 0.115 0.000) 4.699 2.385 ( -1.772 -1.910 0.000) 2.605 2.385 ( -1.772 1.910 0.000) 2.605 2.387 ( -0.796 -3.442 0.000) 3.533 2.387 ( -0.796 3.442 0.000) 3.533 2.531 ( -8.121 -1.140 0.000) 8.201 2.531 ( -8.121 1.140 0.000) 8.201 2.766 ( -0.188 -1.012 0.000) 1.030 2.766 ( -0.188 1.012 0.000) 1.030 2.822 ( -4.376 -1.711 0.000) 4.699 2.822 ( -4.376 1.711 0.000) 4.699 3.028 ( 1.396 -5.143 0.000) 5.329 3.028 ( 1.396 5.143 0.000) 5.329 3.135 ( -3.112 -1.169 0.000) 3.324 3.135 ( -3.112 1.169 0.000) 3.324 4.725 ( 2.406 -0.948 0.000) 2.586 4.725 ( 3.370 0.552 0.000) 3.415 4.725 ( 4.817 -0.061 0.000) 4.818 4.725 ( 5.679 0.457 0.000) 5.698 5.070 ( -1.093 -1.472 0.000) 1.834 5.070 ( -1.093 1.472 0.000) 1.834 5.281 ( -2.505 -2.305 0.000) 3.404 5.281 ( -2.505 2.305 0.000) 3.404 5.400 ( 4.785 -0.674 0.000) 4.832 5.400 ( 4.785 0.674 0.000) 4.832 5.408 ( 2.266 -0.823 0.000) 2.410 5.408 ( 2.266 0.823 0.000) 2.410 5.693 ( 3.762 -0.717 0.000) 3.829 5.693 ( 3.762 0.717 0.000) 3.829 5.916 ( 5.260 -0.217 0.000) 5.264 5.916 ( 5.260 0.217 0.000) 5.264 6.130 ( -6.633 -0.353 0.000) 6.642 6.130 ( -6.633 0.353 0.000) 6.642 6.237 ( -3.254 -1.506 0.000) 3.586 6.237 ( -3.254 1.506 0.000) 3.586 6.501 ( 1.713 -2.941 0.000) 3.404 6.501 ( 1.713 2.941 0.000) 3.404 6.545 ( 0.401 -1.154 0.000) 1.222 6.545 ( 0.401 1.154 0.000) 1.222 6.637 ( 0.820 -0.720 0.000) 1.091 6.637 ( 0.820 0.720 0.000) 1.091 6.804 ( -3.281 -0.822 0.000) 3.382 6.804 ( -3.281 0.822 0.000) 3.382 7.281 ( 1.995 -0.998 0.000) 2.230 7.281 ( 1.995 0.998 0.000) 2.230 7.432 ( -1.998 -0.671 0.000) 2.108 7.432 ( -1.998 0.671 0.000) 2.108 ======================= Grid point 20 (12/48) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 3.377 -4.159 0.000) 5.358 0.694 ( 3.377 4.159 0.000) 5.358 0.719 ( 1.546 -2.789 0.000) 3.189 0.719 ( 1.546 2.789 0.000) 3.189 1.089 ( 1.861 -7.091 0.000) 7.331 1.089 ( 1.861 7.091 0.000) 7.331 1.093 ( 1.871 -2.964 0.000) 3.505 1.093 ( 1.871 2.964 0.000) 3.505 1.356 ( 4.948 -4.891 0.000) 6.957 1.356 ( 4.948 4.891 0.000) 6.957 1.537 ( -11.602 -2.612 0.000) 11.893 1.537 ( -11.602 2.612 0.000) 11.893 1.553 ( 4.293 -1.311 0.000) 4.488 1.553 ( 4.293 1.311 0.000) 4.488 1.659 ( -5.575 -0.713 0.000) 5.620 1.659 ( -5.575 0.713 0.000) 5.620 1.727 ( 13.100 -1.351 0.000) 13.169 1.727 ( 13.100 1.351 0.000) 13.169 1.900 ( 11.193 -0.355 0.000) 11.199 1.900 ( 11.193 0.355 0.000) 11.199 1.950 ( -8.309 -2.317 0.000) 8.627 1.950 ( -8.309 2.317 0.000) 8.627 2.104 ( 5.229 -0.254 0.000) 5.235 2.104 ( 5.229 0.254 0.000) 5.235 2.130 ( -8.074 -1.890 0.000) 8.292 2.130 ( -8.074 1.890 0.000) 8.292 2.280 ( -12.553 -0.595 0.000) 12.567 2.280 ( -12.553 0.595 0.000) 12.567 2.367 ( -0.491 -2.822 0.000) 2.865 2.367 ( -0.491 2.822 0.000) 2.865 2.371 ( -0.622 -3.425 0.000) 3.481 2.371 ( -0.622 3.425 0.000) 3.481 2.765 ( 0.107 -0.717 0.000) 0.725 2.765 ( 0.107 0.717 0.000) 0.725 2.773 ( -0.877 -0.984 0.000) 1.318 2.773 ( -0.877 0.984 0.000) 1.318 3.058 ( 1.477 -4.317 0.000) 4.563 3.058 ( 1.477 4.317 0.000) 4.563 3.090 ( -1.622 -3.065 0.000) 3.468 3.090 ( -1.622 3.065 0.000) 3.468 4.776 ( 2.229 -1.033 0.000) 2.457 4.776 ( 2.229 1.033 0.000) 2.457 4.799 ( 0.721 -0.769 0.000) 1.054 4.799 ( 0.721 0.769 0.000) 1.054 5.098 ( 3.902 -2.575 0.000) 4.675 5.098 ( 3.902 2.575 0.000) 4.675 5.200 ( -4.939 -2.677 0.000) 5.618 5.200 ( -4.939 2.677 0.000) 5.618 5.449 ( 1.492 -0.871 0.000) 1.728 5.449 ( 1.492 0.871 0.000) 1.728 5.460 ( 0.857 -0.831 0.000) 1.193 5.460 ( 0.857 0.831 0.000) 1.193 5.813 ( 7.326 -0.713 0.000) 7.361 5.813 ( 7.326 0.713 0.000) 7.361 5.976 ( -7.885 -0.258 0.000) 7.889 5.976 ( -7.885 0.258 0.000) 7.889 6.038 ( 6.008 -0.846 0.000) 6.067 6.038 ( 6.008 0.846 0.000) 6.067 6.153 ( -4.819 -1.365 0.000) 5.008 6.153 ( -4.819 1.365 0.000) 5.008 6.531 ( 1.087 -3.527 0.000) 3.691 6.531 ( 1.087 3.527 0.000) 3.691 6.546 ( -0.345 -3.058 0.000) 3.078 6.546 ( -0.345 3.058 0.000) 3.078 6.669 ( 2.317 -0.533 0.000) 2.378 6.669 ( 2.317 0.533 0.000) 2.378 6.731 ( -3.458 -0.625 0.000) 3.514 6.731 ( -3.458 0.625 0.000) 3.514 7.330 ( 2.555 -0.485 0.000) 2.601 7.330 ( 2.555 0.485 0.000) 2.601 7.384 ( -2.537 -0.319 0.000) 2.557 7.384 ( -2.537 0.319 0.000) 2.557 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.142 ( 0.000 0.000 8.950) 8.950 0.259 ( 0.000 0.000 13.381) 13.381 0.428 ( 0.000 0.000 20.886) 20.886 0.568 ( 0.000 0.000 11.988) 11.988 0.674 ( 0.000 0.000 2.705) 2.705 0.797 ( 0.000 0.000 3.429) 3.429 1.047 ( 0.000 0.000 1.207) 1.207 1.071 ( 0.000 0.000 -1.074) 1.074 1.124 ( 0.000 0.000 -5.075) 5.075 1.165 ( 0.000 0.000 1.564) 1.564 1.306 ( 0.000 0.000 3.474) 3.474 1.409 ( 0.000 0.000 -1.630) 1.630 1.434 ( 0.000 0.000 8.289) 8.289 1.493 ( 0.000 0.000 -0.762) 0.762 1.701 ( 0.000 0.000 -3.704) 3.704 1.719 ( 0.000 0.000 -3.168) 3.168 1.740 ( 0.000 0.000 -5.390) 5.390 1.750 ( 0.000 0.000 -3.731) 3.731 2.008 ( 0.000 0.000 6.016) 6.016 2.026 ( 0.000 0.000 1.506) 1.506 2.039 ( 0.000 0.000 6.391) 6.391 2.183 ( 0.000 0.000 1.275) 1.275 2.218 ( 0.000 0.000 1.081) 1.081 2.234 ( 0.000 0.000 1.408) 1.408 2.297 ( 0.000 0.000 -3.919) 3.919 2.386 ( 0.000 0.000 0.493) 0.493 2.429 ( 0.000 0.000 -1.692) 1.692 2.443 ( 0.000 0.000 0.513) 0.513 2.506 ( 0.000 0.000 -1.688) 1.688 2.519 ( 0.000 0.000 -0.807) 0.807 2.521 ( 0.000 0.000 -0.363) 0.363 2.554 ( 0.000 0.000 -6.416) 6.416 2.750 ( 0.000 0.000 -1.505) 1.505 2.808 ( 0.000 0.000 3.445) 3.445 2.837 ( 0.000 0.000 0.867) 0.867 2.840 ( 0.000 0.000 -1.778) 1.778 3.004 ( 0.000 0.000 -0.182) 0.182 3.079 ( 0.000 0.000 -2.352) 2.352 3.267 ( 0.000 0.000 2.915) 2.915 3.348 ( 0.000 0.000 -0.893) 0.893 4.526 ( 0.000 0.000 -0.108) 0.108 4.566 ( 0.000 0.000 -0.488) 0.488 4.674 ( 0.000 0.000 0.882) 0.882 4.694 ( 0.000 0.000 1.909) 1.909 5.043 ( 0.000 0.000 1.314) 1.314 5.109 ( 0.000 0.000 -0.045) 0.045 5.205 ( 0.000 0.000 -0.294) 0.294 5.232 ( 0.000 0.000 -1.068) 1.068 5.308 ( 0.000 0.000 -1.951) 1.951 5.311 ( 0.000 0.000 2.187) 2.187 5.328 ( 0.000 0.000 -0.787) 0.787 5.366 ( 0.000 0.000 0.694) 0.694 5.625 ( 0.000 0.000 -2.184) 2.184 5.735 ( 0.000 0.000 0.696) 0.696 5.797 ( 0.000 0.000 0.200) 0.200 5.815 ( 0.000 0.000 -0.017) 0.017 6.262 ( 0.000 0.000 -2.517) 2.517 6.270 ( 0.000 0.000 2.393) 2.393 6.284 ( 0.000 0.000 -3.260) 3.260 6.313 ( 0.000 0.000 0.977) 0.977 6.390 ( 0.000 0.000 0.180) 0.180 6.442 ( 0.000 0.000 -1.119) 1.119 6.553 ( 0.000 0.000 4.499) 4.499 6.570 ( 0.000 0.000 -3.323) 3.323 6.630 ( 0.000 0.000 -3.150) 3.150 6.686 ( 0.000 0.000 1.555) 1.555 6.842 ( 0.000 0.000 -1.960) 1.960 6.929 ( 0.000 0.000 -0.000) 0.000 7.177 ( 0.000 0.000 -0.791) 0.791 7.283 ( 0.000 0.000 1.172) 1.172 7.461 ( 0.000 0.000 0.922) 0.922 7.495 ( 0.000 0.000 -0.788) 0.788 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 9.890 0.000 6.236) 11.692 0.347 ( 7.535 0.000 10.125) 12.621 0.575 ( 11.302 0.000 13.777) 17.820 0.580 ( 1.141 0.000 10.492) 10.554 0.767 ( 7.899 0.000 1.494) 8.039 0.827 ( 2.535 0.000 3.688) 4.476 1.034 ( -0.830 0.000 1.851) 2.029 1.094 ( 3.849 0.000 -0.203) 3.854 1.125 ( 0.006 0.000 -5.051) 5.051 1.307 ( 9.265 0.000 -1.905) 9.459 1.313 ( 0.420 0.000 3.397) 3.423 1.422 ( -0.538 0.000 6.177) 6.200 1.439 ( 2.713 0.000 -1.214) 2.972 1.511 ( 2.092 0.000 -0.569) 2.168 1.657 ( -3.963 0.000 -3.530) 5.307 1.730 ( -0.038 0.000 -5.568) 5.569 1.736 ( 1.540 0.000 -3.271) 3.615 1.772 ( 0.281 0.000 -2.289) 2.306 1.979 ( -4.564 0.000 2.010) 4.987 2.010 ( 0.411 0.000 5.750) 5.764 2.061 ( 1.521 0.000 4.152) 4.421 2.077 ( -9.393 0.000 1.647) 9.537 2.161 ( -3.218 0.000 0.736) 3.301 2.241 ( -1.298 0.000 1.024) 1.653 2.298 ( -0.098 0.000 -3.400) 3.401 2.366 ( -4.114 0.000 0.997) 4.233 2.376 ( -1.100 0.000 -0.019) 1.101 2.383 ( -4.255 0.000 1.782) 4.613 2.492 ( -1.230 0.000 -1.832) 2.207 2.514 ( -0.340 0.000 -0.758) 0.831 2.537 ( 0.852 0.000 0.155) 0.866 2.588 ( 0.871 0.000 -5.397) 5.466 2.735 ( -1.016 0.000 -0.837) 1.316 2.786 ( -2.689 0.000 -2.042) 3.376 2.822 ( -0.946 0.000 1.708) 1.953 2.837 ( -0.514 0.000 0.676) 0.849 2.952 ( -4.852 0.000 -0.285) 4.860 3.094 ( 1.120 0.000 -2.640) 2.868 3.223 ( -2.861 0.000 2.586) 3.857 3.267 ( -7.018 0.000 -1.108) 7.104 4.581 ( 4.970 0.000 -0.063) 4.971 4.620 ( 4.733 0.000 -0.372) 4.748 4.683 ( 1.046 0.000 1.339) 1.699 4.716 ( 1.848 0.000 1.455) 2.352 5.034 ( -0.773 0.000 1.384) 1.585 5.103 ( -0.461 0.000 0.068) 0.466 5.263 ( 4.945 0.000 -0.230) 4.950 5.285 ( 4.158 0.000 -1.612) 4.459 5.290 ( -1.414 0.000 1.721) 2.227 5.321 ( 2.348 0.000 -1.158) 2.618 5.352 ( 1.040 0.000 -0.442) 1.130 5.391 ( 1.955 0.000 0.366) 1.989 5.633 ( 0.899 0.000 -2.067) 2.254 5.705 ( -1.119 0.000 3.412) 3.591 5.825 ( 2.700 0.000 0.012) 2.700 5.839 ( 2.425 0.000 0.146) 2.429 6.214 ( -4.108 0.000 -2.067) 4.598 6.254 ( -1.455 0.000 1.998) 2.472 6.264 ( -4.466 0.000 0.271) 4.474 6.275 ( -0.969 0.000 -2.957) 3.112 6.416 ( 1.372 0.000 -0.172) 1.383 6.457 ( 1.412 0.000 -1.476) 2.043 6.560 ( 0.696 0.000 2.897) 2.979 6.581 ( 1.047 0.000 -1.938) 2.203 6.609 ( -1.582 0.000 0.110) 1.586 6.662 ( -0.492 0.000 0.829) 0.964 6.821 ( -1.902 0.000 -1.965) 2.735 6.905 ( -2.217 0.000 0.156) 2.222 7.194 ( 1.596 0.000 -0.783) 1.778 7.293 ( 0.849 0.000 1.082) 1.375 7.451 ( -0.877 0.000 0.956) 1.297 7.482 ( -1.275 0.000 -0.773) 1.491 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 7.505 0.000 8.566) 11.388 0.527 ( 8.385 0.000 6.914) 10.868 0.620 ( 2.848 0.000 8.274) 8.751 0.787 ( 6.452 0.000 3.479) 7.330 0.853 ( 1.311 0.000 2.666) 2.971 0.951 ( 6.952 0.000 4.461) 8.260 1.039 ( 2.122 0.000 2.547) 3.315 1.128 ( 0.616 0.000 -4.312) 4.355 1.253 ( 10.418 0.000 -2.381) 10.686 1.313 ( -0.523 0.000 3.017) 3.062 1.453 ( 4.787 0.000 5.938) 7.627 1.503 ( 2.707 0.000 -0.579) 2.768 1.532 ( 10.446 0.000 -3.290) 10.952 1.587 ( 0.469 0.000 -1.747) 1.809 1.590 ( 5.097 0.000 -1.011) 5.197 1.709 ( -1.968 0.000 -2.869) 3.480 1.750 ( -2.174 0.000 -0.565) 2.246 1.760 ( -2.981 0.000 -2.785) 4.080 1.845 ( -10.285 0.000 2.494) 10.583 1.862 ( -3.542 0.000 2.788) 4.508 2.036 ( 2.222 0.000 4.181) 4.735 2.069 ( -5.436 0.000 0.664) 5.476 2.090 ( 1.000 0.000 2.821) 2.993 2.196 ( -3.154 0.000 0.382) 3.177 2.261 ( -5.645 0.000 4.856) 7.446 2.290 ( -0.506 0.000 -2.905) 2.949 2.305 ( -3.470 0.000 3.122) 4.667 2.335 ( -2.594 0.000 -1.048) 2.797 2.472 ( -0.389 0.000 -1.558) 1.606 2.492 ( -7.166 0.000 0.118) 7.167 2.505 ( -0.594 0.000 -1.122) 1.270 2.539 ( -7.291 0.000 -1.302) 7.406 2.718 ( -1.112 0.000 -1.956) 2.250 2.722 ( -1.511 0.000 -1.459) 2.100 2.763 ( -3.505 0.000 -3.205) 4.749 2.806 ( -2.557 0.000 -0.655) 2.639 2.887 ( 0.363 0.000 1.060) 1.121 3.082 ( -5.146 0.000 -3.738) 6.361 3.142 ( -0.715 0.000 -0.436) 0.838 3.185 ( -0.896 0.000 1.207) 1.503 4.707 ( 5.721 0.000 -0.097) 5.722 4.713 ( 2.706 0.000 1.192) 2.957 4.739 ( 5.023 0.000 0.459) 5.044 4.764 ( 2.705 0.000 1.180) 2.951 5.017 ( -0.448 0.000 1.640) 1.700 5.103 ( 0.979 0.000 0.075) 0.982 5.245 ( -3.120 0.000 1.895) 3.650 5.344 ( 2.787 0.000 -2.472) 3.725 5.347 ( -1.778 0.000 -0.575) 1.869 5.383 ( 4.430 0.000 -0.289) 4.440 5.414 ( 4.902 0.000 -0.107) 4.903 5.438 ( 2.391 0.000 0.943) 2.570 5.676 ( 3.635 0.000 -1.339) 3.874 5.715 ( 2.510 0.000 2.015) 3.219 5.911 ( 5.295 0.000 -0.417) 5.312 5.916 ( 4.905 0.000 0.229) 4.911 6.106 ( -6.074 0.000 -1.587) 6.278 6.141 ( -7.104 0.000 -0.015) 7.104 6.209 ( -2.801 0.000 1.884) 3.376 6.239 ( -2.585 0.000 -2.915) 3.896 6.436 ( 0.713 0.000 1.319) 1.500 6.480 ( 0.280 0.000 -1.346) 1.375 6.584 ( 1.596 0.000 0.455) 1.660 6.594 ( 0.367 0.000 0.156) 0.399 6.613 ( 2.012 0.000 -0.132) 2.016 6.656 ( -0.370 0.000 -1.256) 1.309 6.768 ( -3.056 0.000 -1.955) 3.627 6.841 ( -3.736 0.000 0.587) 3.782 7.241 ( 2.816 0.000 -0.738) 2.911 7.317 ( 1.387 0.000 0.974) 1.695 7.426 ( -1.517 0.000 0.973) 1.803 7.443 ( -2.300 0.000 -0.663) 2.394 ======================= Grid point 38 (16/48) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 6.540 0.000 7.600) 10.027 0.650 ( 3.632 0.000 5.673) 6.736 0.681 ( 1.284 0.000 7.708) 7.815 0.759 ( -5.078 0.000 5.857) 7.752 0.955 ( 5.323 0.000 0.224) 5.328 1.023 ( -0.395 0.000 2.314) 2.347 1.136 ( 5.582 0.000 2.862) 6.273 1.174 ( 3.572 0.000 -3.921) 5.304 1.295 ( 0.646 0.000 2.584) 2.663 1.441 ( 6.832 0.000 -4.590) 8.231 1.472 ( -11.079 0.000 -2.131) 11.282 1.537 ( 0.623 0.000 -0.107) 0.632 1.581 ( 0.501 0.000 2.167) 2.224 1.584 ( 0.110 0.000 -2.451) 2.454 1.654 ( -5.475 0.000 1.321) 5.632 1.663 ( -4.274 0.000 0.165) 4.277 1.762 ( 12.003 0.000 4.207) 12.719 1.772 ( 6.382 0.000 1.599) 6.579 1.890 ( 16.833 0.000 0.644) 16.846 1.906 ( -2.196 0.000 -1.186) 2.496 1.970 ( 1.642 0.000 1.458) 2.195 2.037 ( -8.791 0.000 3.916) 9.624 2.095 ( -6.367 0.000 -0.092) 6.368 2.106 ( 4.030 0.000 1.804) 4.415 2.170 ( -1.812 0.000 4.603) 4.946 2.240 ( -2.507 0.000 4.355) 5.025 2.259 ( -12.760 0.000 0.633) 12.776 2.283 ( -0.051 0.000 -2.453) 2.453 2.293 ( -1.144 0.000 -1.855) 2.179 2.301 ( -11.694 0.000 1.138) 11.749 2.475 ( 0.570 0.000 -1.461) 1.569 2.490 ( -0.774 0.000 -1.387) 1.588 2.702 ( 0.090 0.000 -2.111) 2.113 2.712 ( -0.716 0.000 -1.500) 1.662 2.739 ( 0.838 0.000 -3.498) 3.597 2.765 ( -1.523 0.000 -1.333) 2.025 2.919 ( 2.235 0.000 -0.987) 2.443 2.980 ( -3.754 0.000 -2.641) 4.590 3.157 ( 0.911 0.000 -0.693) 1.145 3.172 ( -0.552 0.000 0.105) 0.562 4.760 ( 2.054 0.000 1.240) 2.399 4.780 ( 0.789 0.000 0.549) 0.962 4.812 ( 1.796 0.000 0.835) 1.980 4.822 ( 1.593 0.000 0.520) 1.676 5.044 ( 3.668 0.000 1.899) 4.131 5.138 ( -2.222 0.000 0.575) 2.295 5.182 ( 1.704 0.000 1.144) 2.052 5.277 ( -4.664 0.000 -0.342) 4.676 5.398 ( 2.195 0.000 -1.860) 2.877 5.426 ( -0.110 0.000 -0.994) 1.000 5.476 ( 1.508 0.000 0.864) 1.738 5.485 ( 1.058 0.000 0.892) 1.383 5.791 ( 7.215 0.000 -0.324) 7.222 5.819 ( 6.632 0.000 -0.331) 6.640 5.963 ( -7.493 0.000 -0.920) 7.549 5.981 ( -7.700 0.000 0.071) 7.700 6.022 ( 5.119 0.000 0.747) 5.173 6.036 ( 5.541 0.000 -1.693) 5.794 6.138 ( -3.699 0.000 1.629) 4.042 6.165 ( -4.408 0.000 -2.298) 4.971 6.451 ( 0.833 0.000 1.460) 1.681 6.470 ( -0.878 0.000 0.599) 1.063 6.616 ( 1.382 0.000 -1.582) 2.100 6.626 ( 2.374 0.000 -1.339) 2.725 6.642 ( -1.010 0.000 -1.903) 2.154 6.657 ( 1.235 0.000 -0.088) 1.238 6.710 ( -1.230 0.000 -0.883) 1.514 6.758 ( -3.892 0.000 1.051) 4.032 7.305 ( 3.192 0.000 -0.700) 3.268 7.345 ( 0.770 0.000 0.436) 0.885 7.386 ( -1.988 0.000 0.248) 2.003 7.396 ( -1.808 0.000 0.675) 1.930 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 0.000 8.628 4.884) 9.915 0.302 ( 0.000 7.355 6.791) 10.011 0.614 ( 0.000 -0.275 10.287) 10.290 0.647 ( 0.000 9.346 7.566) 12.025 0.660 ( 0.000 2.242 8.396) 8.691 0.768 ( 0.000 2.070 2.109) 2.955 1.004 ( 0.000 -2.068 -3.543) 4.103 1.017 ( 0.000 -2.621 1.880) 3.225 1.135 ( 0.000 -3.375 2.455) 4.174 1.184 ( 0.000 -4.889 0.735) 4.944 1.368 ( 0.000 7.554 -0.728) 7.589 1.404 ( 0.000 0.283 -1.097) 1.133 1.492 ( 0.000 4.741 7.519) 8.888 1.501 ( 0.000 -0.443 -4.816) 4.836 1.675 ( 0.000 -3.998 -3.428) 5.266 1.694 ( 0.000 -2.273 1.462) 2.703 1.735 ( 0.000 0.095 -6.546) 6.546 1.744 ( 0.000 0.210 -5.525) 5.529 2.016 ( 0.000 0.758 5.562) 5.613 2.037 ( 0.000 -0.123 6.276) 6.278 2.055 ( 0.000 2.201 2.266) 3.159 2.167 ( 0.000 -1.711 1.440) 2.236 2.211 ( 0.000 -0.495 1.104) 1.210 2.219 ( 0.000 -0.987 1.500) 1.796 2.318 ( 0.000 2.083 -3.221) 3.836 2.383 ( 0.000 0.130 0.270) 0.300 2.418 ( 0.000 0.026 0.423) 0.423 2.442 ( 0.000 -0.218 0.397) 0.453 2.452 ( 0.000 -2.901 -0.048) 2.901 2.491 ( 0.000 -3.619 -1.061) 3.771 2.555 ( 0.000 0.921 -1.756) 1.983 2.562 ( 0.000 0.599 -5.680) 5.712 2.804 ( 0.000 5.158 -3.931) 6.485 2.811 ( 0.000 0.239 3.652) 3.659 2.832 ( 0.000 -0.350 1.610) 1.647 2.871 ( 0.000 2.523 -1.921) 3.171 2.993 ( 0.000 -1.013 -0.124) 1.021 3.046 ( 0.000 -3.021 -2.832) 4.141 3.278 ( 0.000 1.002 2.424) 2.623 3.336 ( 0.000 -1.133 -0.341) 1.184 4.532 ( 0.000 0.554 -0.143) 0.572 4.561 ( 0.000 -0.504 -0.414) 0.653 4.679 ( 0.000 0.498 1.202) 1.301 4.699 ( 0.000 -0.023 2.076) 2.076 5.092 ( 0.000 2.127 -3.161) 3.810 5.111 ( 0.000 0.136 -0.610) 0.625 5.210 ( 0.000 0.403 -0.281) 0.491 5.229 ( 0.000 -0.292 -0.751) 0.805 5.310 ( 0.000 0.389 -1.770) 1.812 5.313 ( 0.000 0.176 1.680) 1.689 5.333 ( 0.000 0.205 -0.589) 0.624 5.359 ( 0.000 -0.669 0.081) 0.674 5.631 ( 0.000 0.580 -1.163) 1.300 5.687 ( 0.000 -2.526 3.006) 3.926 5.801 ( 0.000 0.269 0.176) 0.322 5.813 ( 0.000 -0.182 0.037) 0.186 6.246 ( 0.000 0.078 -3.113) 3.114 6.274 ( 0.000 -0.772 -3.554) 3.637 6.307 ( 0.000 1.199 0.756) 1.417 6.318 ( 0.000 0.282 0.904) 0.947 6.396 ( 0.000 0.572 0.012) 0.572 6.431 ( 0.000 -0.784 -0.822) 1.136 6.559 ( 0.000 0.455 3.506) 3.536 6.569 ( 0.000 -0.061 -2.834) 2.835 6.624 ( 0.000 -0.417 -2.237) 2.275 6.643 ( 0.000 -1.891 4.137) 4.548 6.852 ( 0.000 0.940 -1.313) 1.614 6.913 ( 0.000 -1.389 0.068) 1.391 7.197 ( 0.000 1.684 -0.656) 1.807 7.271 ( 0.000 -1.142 0.805) 1.397 7.465 ( 0.000 0.386 0.665) 0.769 7.489 ( 0.000 -0.497 -0.574) 0.760 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 6.615 6.710 5.903) 11.119 0.408 ( 9.159 5.704 5.355) 12.045 0.663 ( 2.419 1.085 7.257) 7.726 0.683 ( 4.419 3.713 7.540) 9.496 0.739 ( 5.794 1.512 4.411) 7.437 0.808 ( 5.016 3.240 3.036) 6.698 1.022 ( 0.945 -1.604 1.546) 2.420 1.062 ( 4.947 -0.848 -1.744) 5.313 1.156 ( 2.062 -2.725 -0.017) 3.417 1.243 ( 5.681 -5.646 1.058) 8.079 1.341 ( -1.924 4.702 0.195) 5.084 1.465 ( 2.585 3.996 2.099) 5.201 1.478 ( 1.646 2.652 1.666) 3.538 1.503 ( 0.858 -0.551 -1.624) 1.917 1.639 ( -3.083 -2.197 -0.909) 3.893 1.694 ( 1.077 -3.559 -3.377) 5.023 1.738 ( 0.105 0.592 -5.282) 5.316 1.764 ( 0.394 -0.549 -2.836) 2.915 1.997 ( -4.620 1.411 2.346) 5.370 2.022 ( -0.211 0.870 5.452) 5.525 2.054 ( 0.972 -0.470 4.939) 5.056 2.067 ( -8.720 -0.899 1.833) 8.956 2.161 ( -3.058 0.162 1.020) 3.228 2.221 ( -1.413 -1.813 1.455) 2.720 2.311 ( -0.863 1.428 -2.765) 3.230 2.361 ( -2.034 -0.083 0.875) 2.216 2.375 ( -3.976 0.240 1.436) 4.234 2.393 ( -2.015 0.514 0.064) 2.081 2.454 ( -1.143 -2.413 -1.115) 2.893 2.474 ( -0.747 -3.437 -0.956) 3.645 2.562 ( 0.246 1.309 -1.036) 1.688 2.592 ( 1.005 -0.246 -3.889) 4.024 2.764 ( -1.953 1.937 0.134) 2.754 2.796 ( -2.530 0.363 -1.030) 2.755 2.851 ( 1.328 3.170 -0.307) 3.450 2.856 ( -1.731 2.252 -0.475) 2.880 2.947 ( -4.376 -0.612 -0.308) 4.429 3.058 ( 0.987 -3.308 -3.119) 4.652 3.226 ( -3.754 0.283 1.959) 4.244 3.257 ( -6.703 -0.856 -0.609) 6.785 4.587 ( 4.965 0.556 -0.089) 4.997 4.615 ( 4.835 -0.461 -0.309) 4.867 4.690 ( 1.065 0.611 1.460) 1.908 4.716 ( 1.536 -0.204 1.712) 2.309 5.069 ( -1.748 2.040 -0.969) 2.856 5.102 ( -0.704 -0.100 -0.294) 0.769 5.267 ( 4.760 0.358 -0.037) 4.773 5.283 ( 3.743 -0.130 -0.850) 3.840 5.299 ( -0.163 0.634 0.860) 1.081 5.324 ( 1.635 0.122 -1.033) 1.938 5.351 ( 1.008 0.039 -0.456) 1.107 5.381 ( 1.947 -0.849 0.067) 2.126 5.639 ( 0.905 0.581 -1.207) 1.617 5.683 ( 0.071 -1.482 2.796) 3.165 5.828 ( 2.659 0.237 0.063) 2.671 5.838 ( 2.451 -0.149 0.140) 2.460 6.207 ( -3.494 0.056 -2.315) 4.192 6.243 ( -3.403 -1.080 -1.916) 4.051 6.279 ( -2.652 0.920 1.085) 3.009 6.286 ( -1.881 0.546 -0.936) 2.171 6.420 ( 1.558 0.479 -0.131) 1.635 6.452 ( 1.631 -0.498 -1.395) 2.203 6.567 ( 0.849 0.599 2.627) 2.825 6.579 ( 0.961 -0.077 -2.032) 2.249 6.605 ( -1.309 -0.141 0.839) 1.561 6.643 ( -0.056 -1.412 0.670) 1.564 6.832 ( -1.879 0.958 -1.344) 2.501 6.890 ( -2.108 -1.261 0.169) 2.462 7.211 ( 1.388 1.519 -0.585) 2.139 7.281 ( 0.908 -1.102 0.784) 1.629 7.455 ( -0.934 0.343 0.669) 1.199 7.476 ( -1.223 -0.448 -0.563) 1.419 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 6.730 4.379 6.791) 10.516 0.585 ( 7.354 4.456 6.044) 10.511 0.710 ( 2.994 4.665 6.235) 8.342 0.782 ( 2.282 -3.624 3.996) 5.858 0.838 ( 5.747 1.961 -0.377) 6.084 0.957 ( 6.150 1.784 3.104) 7.116 1.063 ( 3.345 1.331 2.766) 4.541 1.147 ( 0.981 0.436 -2.382) 2.613 1.256 ( 6.579 -1.050 -0.043) 6.663 1.321 ( 2.510 2.107 0.622) 3.335 1.405 ( 7.352 -4.627 -1.133) 8.761 1.485 ( 2.458 2.614 3.297) 4.873 1.533 ( 4.506 -2.214 1.407) 5.214 1.587 ( 1.676 0.696 -1.840) 2.584 1.631 ( 6.352 1.797 -1.244) 6.718 1.710 ( -1.702 -0.040 -2.966) 3.420 1.736 ( -0.621 -1.988 -3.093) 3.729 1.744 ( -2.109 -0.571 -1.243) 2.514 1.847 ( -10.451 0.086 2.779) 10.815 1.851 ( -5.924 -0.651 3.360) 6.842 2.041 ( 1.228 0.369 3.688) 3.905 2.061 ( -2.041 -0.563 1.499) 2.595 2.095 ( -1.514 0.653 3.348) 3.732 2.171 ( -3.077 -2.053 2.056) 4.232 2.272 ( -3.850 0.616 2.199) 4.476 2.281 ( -3.676 0.106 1.903) 4.141 2.325 ( -1.395 1.366 0.003) 1.952 2.346 ( -2.602 0.987 -0.921) 2.931 2.429 ( -0.748 -2.992 -1.234) 3.322 2.458 ( -0.934 -3.552 -1.055) 3.821 2.507 ( -7.411 0.947 -0.057) 7.472 2.544 ( -7.401 -0.130 -0.599) 7.426 2.732 ( -0.804 0.822 -0.908) 1.466 2.738 ( -1.921 1.075 -2.736) 3.511 2.792 ( -3.260 1.945 -1.178) 3.974 2.820 ( -3.748 1.293 -1.513) 4.243 2.906 ( 1.489 2.175 -0.214) 2.645 3.069 ( -1.382 -1.838 -3.979) 4.596 3.123 ( -3.407 -0.948 -0.473) 3.568 3.167 ( -1.684 -1.487 0.620) 2.330 4.713 ( 5.961 0.490 -0.069) 5.981 4.722 ( 2.499 0.798 1.220) 2.893 4.735 ( 5.107 -0.344 0.387) 5.133 4.759 ( 2.539 -0.506 1.326) 2.909 5.038 ( -0.787 1.609 0.909) 2.008 5.095 ( 0.555 -0.761 0.169) 0.958 5.254 ( -2.962 0.929 1.362) 3.390 5.319 ( -1.146 -1.545 -0.814) 2.089 5.369 ( 2.182 1.181 -1.391) 2.844 5.392 ( 4.234 0.744 -0.094) 4.300 5.409 ( 4.682 -0.473 -0.190) 4.710 5.430 ( 2.650 -0.710 0.676) 2.826 5.681 ( 3.562 0.489 -0.985) 3.728 5.708 ( 2.885 -0.596 1.299) 3.219 5.912 ( 5.205 0.097 -0.276) 5.213 5.916 ( 4.955 -0.049 0.125) 4.957 6.106 ( -5.936 0.166 -1.663) 6.167 6.132 ( -6.727 -0.703 -0.615) 6.792 6.219 ( -3.207 0.694 1.184) 3.488 6.239 ( -2.926 -0.099 -2.015) 3.554 6.448 ( 1.202 1.100 0.661) 1.758 6.484 ( 1.109 0.179 -1.630) 1.979 6.581 ( -0.520 -0.252 0.043) 0.579 6.596 ( 1.633 0.309 2.491) 2.995 6.607 ( 1.319 -0.478 -1.465) 2.028 6.642 ( 0.183 -1.172 -1.033) 1.573 6.778 ( -3.105 0.928 -1.378) 3.522 6.829 ( -3.579 -1.013 0.412) 3.742 7.254 ( 2.565 1.116 -0.485) 2.839 7.307 ( 1.586 -0.870 0.754) 1.960 7.428 ( -1.665 0.149 0.688) 1.808 7.440 ( -2.219 -0.306 -0.483) 2.292 ======================= Grid point 45 (20/48) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 4.587 3.071 5.901) 8.080 0.687 ( 1.603 3.229 4.709) 5.930 0.776 ( 2.107 4.320 6.934) 8.437 0.792 ( -0.433 0.836 5.362) 5.444 0.959 ( 5.225 1.417 -0.432) 5.431 1.025 ( -0.113 1.296 0.659) 1.458 1.146 ( 3.323 0.317 2.380) 4.099 1.158 ( 1.319 -1.627 -2.852) 3.538 1.314 ( 3.190 1.849 2.441) 4.422 1.455 ( 1.767 -1.460 -1.522) 2.751 1.465 ( 1.584 1.222 -4.074) 4.539 1.528 ( -4.547 -1.492 1.587) 5.042 1.547 ( 1.142 0.546 -0.883) 1.543 1.603 ( -2.662 0.038 -2.065) 3.369 1.618 ( -6.798 -2.903 1.411) 7.525 1.653 ( -3.684 -1.137 -0.789) 3.936 1.763 ( 7.649 -0.136 2.709) 8.115 1.787 ( 12.022 1.340 4.002) 12.741 1.883 ( 7.065 -0.346 -0.611) 7.100 1.910 ( 8.719 -0.348 0.356) 8.734 1.959 ( -1.377 -0.090 1.656) 2.156 2.027 ( -5.942 -1.876 2.102) 6.576 2.093 ( -2.369 1.345 1.606) 3.163 2.134 ( -0.326 1.794 2.978) 3.491 2.161 ( -2.891 -0.658 4.788) 5.632 2.225 ( -2.660 -1.283 4.671) 5.526 2.263 ( -12.505 0.567 -0.312) 12.521 2.289 ( -8.453 -0.184 0.358) 8.463 2.305 ( -0.586 1.487 -1.303) 2.062 2.314 ( -4.464 1.299 -1.000) 4.756 2.430 ( 0.365 -3.520 -1.157) 3.723 2.444 ( -0.812 -3.678 -1.065) 3.915 2.727 ( 0.391 1.500 -1.947) 2.489 2.736 ( 0.361 1.050 -0.748) 1.339 2.750 ( -0.665 1.170 -3.133) 3.410 2.768 ( -1.598 0.279 -1.097) 1.959 2.947 ( 2.282 2.806 -1.824) 4.050 3.002 ( -3.108 2.192 -2.800) 4.723 3.123 ( 0.982 -3.125 -1.215) 3.493 3.143 ( -0.941 -2.625 -0.537) 2.839 4.768 ( 2.014 0.763 1.234) 2.482 4.786 ( 1.033 0.540 0.506) 1.271 4.807 ( 1.652 -0.493 0.956) 1.971 4.817 ( 1.461 -0.466 0.476) 1.606 5.063 ( 3.639 1.640 1.546) 4.281 5.142 ( 2.134 -0.455 0.015) 2.182 5.174 ( -2.785 0.185 1.620) 3.228 5.254 ( -4.582 -1.952 -0.113) 4.982 5.415 ( 1.958 1.341 -1.349) 2.730 5.438 ( 0.139 0.994 -0.653) 1.197 5.468 ( 1.594 -0.748 0.511) 1.833 5.479 ( 0.924 -0.560 0.680) 1.277 5.796 ( 7.198 0.434 -0.454) 7.225 5.816 ( 6.840 -0.277 -0.460) 6.861 5.962 ( -7.346 -0.034 -1.015) 7.416 5.974 ( -7.201 -0.511 -0.390) 7.230 6.029 ( 4.840 0.485 0.572) 4.898 6.038 ( 5.657 0.086 -1.275) 5.800 6.140 ( -4.228 0.227 1.064) 4.366 6.160 ( -4.605 -0.466 -1.796) 4.964 6.472 ( 1.090 1.845 0.891) 2.321 6.490 ( -0.464 1.748 0.222) 1.822 6.585 ( 0.843 -2.060 -1.345) 2.600 6.606 ( -0.825 -2.371 -0.777) 2.628 6.645 ( 2.502 0.928 -1.129) 2.898 6.671 ( 2.133 0.225 -0.001) 2.145 6.713 ( -2.567 0.433 -1.029) 2.800 6.750 ( -3.768 -0.748 0.680) 3.902 7.314 ( 3.011 0.704 -0.448) 3.125 7.343 ( 1.539 -0.256 0.521) 1.645 7.384 ( -2.405 -0.143 0.017) 2.410 7.392 ( -2.014 -0.333 0.527) 2.109 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 -3.225 1.220) 3.448 0.428 ( 0.000 3.225 1.220) 3.448 0.554 ( 0.000 -4.643 5.991) 7.580 0.554 ( 0.000 4.643 5.991) 7.580 0.900 ( 0.000 -8.067 3.725) 8.885 0.900 ( 0.000 8.067 3.725) 8.885 0.944 ( 0.000 -5.724 2.240) 6.146 0.944 ( 0.000 5.724 2.240) 6.146 1.068 ( 0.000 -0.875 2.668) 2.808 1.068 ( 0.000 0.875 2.668) 2.808 1.436 ( 0.000 -2.029 -0.820) 2.189 1.436 ( 0.000 2.029 -0.820) 2.189 1.552 ( 0.000 -5.833 -2.500) 6.346 1.552 ( 0.000 5.833 -2.500) 6.346 1.610 ( 0.000 -4.562 3.648) 5.841 1.610 ( 0.000 4.562 3.648) 5.841 1.745 ( 0.000 -0.269 -6.056) 6.062 1.745 ( 0.000 0.269 -6.056) 6.062 2.031 ( 0.000 -0.495 5.957) 5.977 2.031 ( 0.000 0.495 5.957) 5.977 2.112 ( 0.000 -3.020 1.893) 3.564 2.112 ( 0.000 3.020 1.893) 3.564 2.206 ( 0.000 -0.165 1.256) 1.267 2.206 ( 0.000 0.165 1.256) 1.267 2.386 ( 0.000 -3.845 -1.223) 4.035 2.386 ( 0.000 3.845 -1.223) 4.035 2.405 ( 0.000 -2.223 -0.185) 2.231 2.405 ( 0.000 2.223 -0.185) 2.231 2.432 ( 0.000 -0.547 0.550) 0.775 2.432 ( 0.000 0.547 0.550) 0.775 2.569 ( 0.000 -0.179 -3.895) 3.899 2.569 ( 0.000 0.179 -3.895) 3.899 2.819 ( 0.000 -0.520 2.693) 2.743 2.819 ( 0.000 0.520 2.693) 2.743 2.905 ( 0.000 -1.656 -3.446) 3.823 2.905 ( 0.000 1.656 -3.446) 3.823 2.977 ( 0.000 -1.299 -1.573) 2.040 2.977 ( 0.000 1.299 -1.573) 2.040 3.306 ( 0.000 -1.502 1.030) 1.821 3.306 ( 0.000 1.502 1.030) 1.821 4.547 ( 0.000 -0.750 -0.258) 0.793 4.547 ( 0.000 0.750 -0.258) 0.793 4.692 ( 0.000 -0.562 1.869) 1.952 4.692 ( 0.000 0.562 1.869) 1.952 5.112 ( 0.000 -0.157 -2.104) 2.110 5.112 ( 0.000 0.157 -2.104) 2.110 5.220 ( 0.000 -0.500 -0.364) 0.618 5.220 ( 0.000 0.500 -0.364) 0.618 5.317 ( 0.000 -0.038 0.229) 0.232 5.317 ( 0.000 0.038 0.229) 0.232 5.341 ( 0.000 -0.768 -0.846) 1.143 5.341 ( 0.000 0.768 -0.846) 1.143 5.649 ( 0.000 -1.177 1.131) 1.633 5.649 ( 0.000 1.177 1.131) 1.633 5.807 ( 0.000 -0.326 0.117) 0.346 5.807 ( 0.000 0.326 0.117) 0.346 6.257 ( 0.000 -0.769 -3.944) 4.018 6.257 ( 0.000 0.769 -3.944) 4.018 6.320 ( 0.000 -0.158 0.971) 0.984 6.320 ( 0.000 0.158 0.971) 0.984 6.413 ( 0.000 -0.905 -0.475) 1.022 6.413 ( 0.000 0.905 -0.475) 1.022 6.567 ( 0.000 -0.197 -0.077) 0.212 6.567 ( 0.000 0.197 -0.077) 0.212 6.621 ( 0.000 -0.350 1.351) 1.395 6.621 ( 0.000 0.350 1.351) 1.395 6.879 ( 0.000 -1.550 -0.225) 1.567 6.879 ( 0.000 1.550 -0.225) 1.567 7.238 ( 0.000 -1.903 -0.026) 1.903 7.238 ( 0.000 1.903 -0.026) 1.903 7.477 ( 0.000 -0.627 0.008) 0.627 7.477 ( 0.000 0.627 0.008) 0.627 ======================= Grid point 51 (22/48) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 7.598 -0.528 2.088) 7.898 0.532 ( 7.598 0.528 2.088) 7.898 0.585 ( 3.000 -1.719 5.531) 6.522 0.585 ( 3.000 1.719 5.531) 6.522 0.910 ( 1.078 -6.070 -0.191) 6.168 0.910 ( 1.078 6.070 -0.191) 6.168 0.996 ( 4.802 -5.500 5.675) 9.248 0.996 ( 4.802 5.500 5.675) 9.248 1.125 ( 5.443 -3.045 0.824) 6.291 1.125 ( 5.443 3.045 0.824) 6.291 1.444 ( -0.315 -3.867 -0.358) 3.896 1.444 ( -0.315 3.867 -0.358) 3.896 1.553 ( 1.061 -3.786 0.883) 4.030 1.553 ( 1.061 3.786 0.883) 4.030 1.597 ( -0.275 -4.586 -0.936) 4.688 1.597 ( -0.275 4.586 -0.936) 4.688 1.752 ( 0.133 -0.590 -4.269) 4.311 1.752 ( 0.133 0.590 -4.269) 4.311 2.029 ( -2.947 -1.029 3.656) 4.807 2.029 ( -2.947 1.029 3.656) 4.807 2.048 ( -3.600 -0.362 3.842) 5.278 2.048 ( -3.600 0.362 3.842) 5.278 2.179 ( -2.130 -1.636 1.452) 3.053 2.179 ( -2.130 1.636 1.452) 3.053 2.354 ( -2.916 -1.872 0.730) 3.541 2.354 ( -2.916 1.872 0.730) 3.541 2.391 ( -0.824 -2.937 -0.920) 3.186 2.391 ( -0.824 2.937 -0.920) 3.186 2.416 ( -1.541 -1.409 -0.557) 2.161 2.416 ( -1.541 1.409 -0.557) 2.161 2.583 ( 0.520 -0.655 -2.511) 2.646 2.583 ( 0.520 0.655 -2.511) 2.646 2.790 ( -2.251 -0.718 0.906) 2.530 2.790 ( -2.251 0.718 0.906) 2.530 2.910 ( -1.539 -1.878 -0.597) 2.500 2.910 ( -1.539 1.878 -0.597) 2.500 2.963 ( -0.145 -5.007 -3.395) 6.051 2.963 ( -0.145 5.007 -3.395) 6.051 3.237 ( -5.516 -0.821 0.599) 5.609 3.237 ( -5.516 0.821 0.599) 5.609 4.602 ( 4.933 -0.740 -0.181) 4.991 4.602 ( 4.933 0.740 -0.181) 4.991 4.705 ( 1.267 -0.727 1.749) 2.278 4.705 ( 1.267 0.727 1.749) 2.278 5.096 ( -1.353 -0.614 -1.142) 1.874 5.096 ( -1.353 0.614 -1.142) 1.874 5.276 ( 4.468 -0.441 -0.119) 4.492 5.276 ( 4.468 0.441 -0.119) 4.492 5.316 ( 0.226 -0.838 -0.099) 0.874 5.316 ( 0.226 0.838 -0.099) 0.874 5.361 ( 1.736 -0.877 -0.549) 2.020 5.361 ( 1.736 0.877 -0.549) 2.020 5.656 ( 0.779 -1.014 0.786) 1.501 5.656 ( 0.779 1.014 0.786) 1.501 5.833 ( 2.551 -0.265 0.111) 2.567 5.833 ( 2.551 0.265 0.111) 2.567 6.219 ( -3.512 -0.988 -2.812) 4.606 6.219 ( -3.512 0.988 -2.812) 4.606 6.290 ( -2.301 -0.168 0.344) 2.333 6.290 ( -2.301 0.168 0.344) 2.333 6.436 ( 1.736 -0.896 -0.794) 2.109 6.436 ( 1.736 0.896 -0.794) 2.109 6.577 ( 0.930 -0.229 0.183) 0.975 6.577 ( 0.930 0.229 0.183) 0.975 6.614 ( -0.588 -1.084 0.838) 1.491 6.614 ( -0.588 1.084 0.838) 1.491 6.859 ( -1.919 -1.493 -0.270) 2.446 6.859 ( -1.919 1.493 -0.270) 2.446 7.249 ( 1.086 -1.793 0.044) 2.097 7.249 ( 1.086 1.793 0.044) 2.097 7.465 ( -1.084 -0.550 0.016) 1.215 7.465 ( -1.084 0.550 0.016) 1.215 ======================= Grid point 53 (23/48) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 4.434 -6.027 4.518) 8.741 0.651 ( 4.434 6.027 4.518) 8.741 0.695 ( 5.956 -4.443 5.266) 9.107 0.695 ( 5.956 4.443 5.266) 9.107 0.949 ( 2.809 -5.137 -3.727) 6.940 0.949 ( 2.809 5.137 -3.727) 6.940 1.107 ( 4.531 -3.370 5.880) 8.152 1.107 ( 4.531 3.370 5.880) 8.152 1.273 ( 6.357 -3.230 -1.741) 7.340 1.273 ( 6.357 3.230 -1.741) 7.340 1.446 ( 2.697 -4.751 0.106) 5.464 1.446 ( 2.697 4.751 0.106) 5.464 1.564 ( 1.786 -2.791 2.095) 3.920 1.564 ( 1.786 2.791 2.095) 3.920 1.672 ( 5.269 -2.404 -2.735) 6.405 1.672 ( 5.269 2.404 -2.735) 6.405 1.729 ( -2.457 -0.754 -2.190) 3.376 1.729 ( -2.457 0.754 -2.190) 3.376 1.846 ( -9.281 -0.105 3.302) 9.851 1.846 ( -9.281 0.105 3.302) 9.851 2.050 ( -0.103 -0.482 2.645) 2.691 2.050 ( -0.103 0.482 2.645) 2.691 2.124 ( -2.504 -2.037 3.494) 4.757 2.124 ( -2.504 2.037 3.494) 4.757 2.283 ( -3.815 -0.365 2.770) 4.729 2.283 ( -3.815 0.365 2.770) 4.729 2.369 ( -1.284 -2.446 -1.406) 3.100 2.369 ( -1.284 2.446 -1.406) 3.100 2.381 ( -1.341 -2.801 -0.790) 3.204 2.381 ( -1.341 2.801 -0.790) 3.204 2.530 ( -7.583 -1.070 -0.215) 7.661 2.530 ( -7.583 1.070 -0.215) 7.661 2.746 ( -1.288 -0.307 -1.732) 2.180 2.746 ( -1.288 0.307 -1.732) 2.180 2.826 ( -4.252 -1.018 -0.162) 4.376 2.826 ( -4.252 1.018 -0.162) 4.376 2.990 ( 1.906 -4.882 -3.156) 6.117 2.990 ( 1.906 4.882 -3.156) 6.117 3.132 ( -3.802 -1.471 -0.577) 4.117 3.132 ( -3.802 1.471 -0.577) 4.117 4.725 ( 5.759 -0.577 0.048) 5.788 4.725 ( 5.759 0.577 0.048) 5.788 4.742 ( 2.296 -0.987 1.439) 2.884 4.742 ( 2.296 0.987 1.439) 2.884 5.072 ( -0.411 -1.405 0.317) 1.498 5.072 ( -0.411 1.405 0.317) 1.498 5.283 ( -2.329 -1.683 0.282) 2.887 5.283 ( -2.329 1.683 0.282) 2.887 5.393 ( 3.787 -1.019 -0.631) 3.972 5.393 ( 3.787 1.019 -0.631) 3.972 5.411 ( 3.388 -0.988 0.203) 3.535 5.411 ( 3.388 0.988 0.203) 3.535 5.694 ( 3.345 -0.665 -0.014) 3.411 5.694 ( 3.345 0.665 -0.014) 3.411 5.914 ( 5.060 -0.089 -0.064) 5.061 5.914 ( 5.060 0.089 -0.064) 5.061 6.116 ( -6.175 -0.697 -1.489) 6.390 6.116 ( -6.175 0.697 -1.489) 6.390 6.232 ( -3.315 -0.487 -0.282) 3.362 6.232 ( -3.315 0.487 -0.282) 3.362 6.475 ( 1.924 -1.093 -0.995) 2.426 6.475 ( 1.924 1.093 -0.995) 2.426 6.586 ( -0.881 -0.757 1.140) 1.628 6.586 ( -0.881 0.757 1.140) 1.628 6.616 ( 1.554 -1.080 -0.679) 2.011 6.616 ( 1.554 1.080 -0.679) 2.011 6.803 ( -3.290 -1.311 -0.298) 3.554 6.803 ( -3.290 1.311 -0.298) 3.554 7.282 ( 2.049 -1.406 0.144) 2.489 7.282 ( 2.049 1.406 0.144) 2.489 7.433 ( -1.974 -0.308 0.054) 1.999 7.433 ( -1.974 0.308 0.054) 1.999 ======================= Grid point 55 (24/48) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 3.455 -3.870 4.446) 6.832 0.738 ( 3.455 3.870 4.446) 6.832 0.772 ( 0.819 -2.785 5.229) 5.981 0.772 ( 0.819 2.785 5.229) 5.981 1.037 ( 5.496 -3.528 -2.840) 7.122 1.037 ( 5.496 3.528 -2.840) 7.122 1.133 ( -2.420 -1.385 1.718) 3.275 1.133 ( -2.420 1.385 1.718) 3.275 1.376 ( 5.922 -3.962 1.683) 7.321 1.376 ( 5.922 3.962 1.683) 7.321 1.521 ( 3.353 -2.948 -3.014) 5.387 1.521 ( 3.353 2.948 -3.014) 5.387 1.550 ( -9.153 -2.810 1.151) 9.643 1.550 ( -9.153 2.810 1.151) 9.643 1.620 ( -4.026 -1.724 -1.929) 4.786 1.620 ( -4.026 1.724 -1.929) 4.786 1.782 ( 9.619 -1.480 3.422) 10.317 1.782 ( 9.619 1.480 3.422) 10.317 1.891 ( 8.435 -0.979 0.464) 8.504 1.891 ( 8.435 0.979 0.464) 8.504 1.981 ( -3.554 -1.892 1.491) 4.294 1.981 ( -3.554 1.892 1.491) 4.294 2.129 ( 0.464 -1.625 3.442) 3.835 2.129 ( 0.464 1.625 3.442) 3.835 2.188 ( -5.086 -2.216 5.059) 7.508 2.188 ( -5.086 2.216 5.059) 7.508 2.278 ( -11.887 -0.753 -0.123) 11.912 2.278 ( -11.887 0.753 -0.123) 11.912 2.354 ( -0.207 -3.166 -1.169) 3.381 2.354 ( -0.207 3.166 -1.169) 3.381 2.363 ( -0.962 -3.398 -0.859) 3.635 2.363 ( -0.962 3.398 -0.859) 3.635 2.745 ( 0.763 -0.183 -1.812) 1.974 2.745 ( 0.763 0.183 -1.812) 1.974 2.769 ( -1.628 -0.412 -0.876) 1.894 2.769 ( -1.628 0.412 -0.876) 1.894 3.031 ( 1.973 -4.157 -2.501) 5.237 3.031 ( 1.973 4.157 -2.501) 5.237 3.073 ( -2.217 -3.189 -1.706) 4.242 3.073 ( -2.217 3.189 -1.706) 4.242 4.787 ( 1.995 -0.813 1.088) 2.414 4.787 ( 1.995 0.813 1.088) 2.414 4.805 ( 1.050 -0.615 0.510) 1.319 4.805 ( 1.050 0.615 0.510) 1.319 5.106 ( 3.913 -2.207 0.838) 4.570 5.106 ( 3.913 2.207 0.838) 4.570 5.206 ( -4.783 -2.224 0.621) 5.311 5.206 ( -4.783 2.224 0.621) 5.311 5.445 ( 1.763 -1.360 -0.405) 2.263 5.445 ( 1.763 1.360 -0.405) 2.263 5.461 ( 0.569 -1.068 0.123) 1.217 5.461 ( 0.569 1.068 0.123) 1.217 5.807 ( 7.123 -0.500 -0.572) 7.164 5.807 ( 7.123 0.500 -0.572) 7.164 5.965 ( -7.156 -0.305 -0.971) 7.228 5.965 ( -7.156 0.305 -0.971) 7.228 6.037 ( 5.365 -0.211 -0.242) 5.374 6.037 ( 5.365 0.211 -0.242) 5.374 6.148 ( -4.779 -0.502 -0.407) 4.823 6.148 ( -4.779 0.502 -0.407) 4.823 6.516 ( 2.013 -1.281 -0.667) 2.478 6.516 ( 2.013 1.281 -0.667) 2.478 6.556 ( -1.755 -1.327 0.086) 2.201 6.556 ( -1.755 1.327 0.086) 2.201 6.663 ( 2.785 -0.768 -0.312) 2.906 6.663 ( 2.785 0.768 -0.312) 2.906 6.730 ( -3.510 -1.006 -0.255) 3.660 6.730 ( -3.510 1.006 -0.255) 3.660 7.331 ( 2.561 -0.823 0.167) 2.695 7.331 ( 2.561 0.823 0.167) 2.695 7.385 ( -2.513 -0.270 0.120) 2.530 7.385 ( -2.513 0.270 0.120) 2.530 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.329 ( 0.000 0.000 10.254) 10.254 0.489 ( 0.000 0.000 9.989) 9.989 0.657 ( 0.000 0.000 2.179) 2.179 0.701 ( 0.000 0.000 0.827) 0.827 0.846 ( 0.000 0.000 14.881) 14.881 0.892 ( 0.000 0.000 5.990) 5.990 1.046 ( 0.000 0.000 -1.868) 1.868 1.051 ( 0.000 0.000 -0.618) 0.618 1.137 ( 0.000 0.000 7.979) 7.979 1.172 ( 0.000 0.000 -0.729) 0.729 1.360 ( 0.000 0.000 2.072) 2.072 1.368 ( 0.000 0.000 -2.503) 2.503 1.482 ( 0.000 0.000 -0.232) 0.232 1.593 ( 0.000 0.000 3.509) 3.509 1.614 ( 0.000 0.000 -4.239) 4.239 1.631 ( 0.000 0.000 -5.935) 5.935 1.666 ( 0.000 0.000 0.911) 0.911 1.705 ( 0.000 0.000 -1.471) 1.471 2.061 ( 0.000 0.000 2.051) 2.051 2.108 ( 0.000 0.000 4.265) 4.265 2.155 ( 0.000 0.000 5.200) 5.200 2.202 ( 0.000 0.000 -2.679) 2.679 2.219 ( 0.000 0.000 0.468) 0.468 2.243 ( 0.000 0.000 1.386) 1.386 2.280 ( 0.000 0.000 2.502) 2.502 2.394 ( 0.000 0.000 0.365) 0.365 2.398 ( 0.000 0.000 -1.125) 1.125 2.426 ( 0.000 0.000 -3.386) 3.386 2.460 ( 0.000 0.000 -2.997) 2.997 2.473 ( 0.000 0.000 -0.755) 0.755 2.494 ( 0.000 0.000 -2.008) 2.008 2.510 ( 0.000 0.000 -0.965) 0.965 2.718 ( 0.000 0.000 -1.595) 1.595 2.758 ( 0.000 0.000 -4.163) 4.163 2.859 ( 0.000 0.000 1.281) 1.281 2.875 ( 0.000 0.000 1.259) 1.259 2.997 ( 0.000 0.000 -0.521) 0.521 3.031 ( 0.000 0.000 -2.135) 2.135 3.326 ( 0.000 0.000 2.713) 2.713 3.338 ( 0.000 0.000 0.009) 0.009 4.525 ( 0.000 0.000 0.052) 0.052 4.554 ( 0.000 0.000 -0.745) 0.745 4.695 ( 0.000 0.000 1.326) 1.326 4.731 ( 0.000 0.000 1.562) 1.562 5.076 ( 0.000 0.000 2.076) 2.076 5.117 ( 0.000 0.000 0.672) 0.672 5.198 ( 0.000 0.000 -0.472) 0.472 5.202 ( 0.000 0.000 -1.789) 1.789 5.275 ( 0.000 0.000 -1.161) 1.161 5.317 ( 0.000 0.000 -0.134) 0.134 5.348 ( 0.000 0.000 1.298) 1.298 5.359 ( 0.000 0.000 -1.988) 1.988 5.600 ( 0.000 0.000 0.456) 0.456 5.741 ( 0.000 0.000 -0.440) 0.440 5.802 ( 0.000 0.000 0.267) 0.267 5.814 ( 0.000 0.000 -0.088) 0.088 6.215 ( 0.000 0.000 -1.785) 1.785 6.237 ( 0.000 0.000 -1.229) 1.229 6.318 ( 0.000 0.000 1.730) 1.730 6.319 ( 0.000 0.000 -0.996) 0.996 6.397 ( 0.000 0.000 0.535) 0.535 6.424 ( 0.000 0.000 -0.735) 0.735 6.504 ( 0.000 0.000 -2.365) 2.365 6.573 ( 0.000 0.000 -1.788) 1.788 6.626 ( 0.000 0.000 2.132) 2.132 6.693 ( 0.000 0.000 -1.153) 1.153 6.803 ( 0.000 0.000 -1.234) 1.234 6.919 ( 0.000 0.000 -1.166) 1.166 7.180 ( 0.000 0.000 1.456) 1.456 7.301 ( 0.000 0.000 0.261) 0.261 7.476 ( 0.000 0.000 0.447) 0.447 7.478 ( 0.000 0.000 -0.813) 0.813 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 9.208 0.000 8.188) 12.322 0.539 ( 4.734 0.000 8.630) 9.843 0.696 ( 0.020 0.000 0.912) 0.913 0.785 ( 8.818 0.000 -0.212) 8.820 0.859 ( 3.229 0.000 13.257) 13.645 0.936 ( 2.887 0.000 7.609) 8.138 1.041 ( -0.601 0.000 -1.645) 1.751 1.083 ( 3.306 0.000 -0.621) 3.364 1.142 ( 0.597 0.000 7.917) 7.940 1.259 ( 7.690 0.000 -2.797) 8.183 1.358 ( 0.038 0.000 0.585) 0.586 1.411 ( 3.312 0.000 -0.998) 3.458 1.504 ( 2.325 0.000 -0.069) 2.326 1.548 ( -1.540 0.000 2.981) 3.355 1.598 ( -3.343 0.000 -2.249) 4.029 1.649 ( 1.674 0.000 -5.618) 5.862 1.652 ( 0.674 0.000 -0.791) 1.040 1.733 ( 0.723 0.000 -1.043) 1.269 2.025 ( -3.653 0.000 2.575) 4.470 2.111 ( -8.025 0.000 1.368) 8.141 2.111 ( 0.368 0.000 4.606) 4.620 2.165 ( 0.970 0.000 5.781) 5.862 2.181 ( -3.767 0.000 1.289) 3.981 2.226 ( -0.546 0.000 -2.759) 2.813 2.273 ( -1.453 0.000 1.735) 2.263 2.373 ( -2.070 0.000 -0.284) 2.089 2.379 ( -1.535 0.000 0.636) 1.662 2.411 ( -1.341 0.000 0.136) 1.348 2.447 ( -0.923 0.000 -2.668) 2.823 2.486 ( 1.055 0.000 -3.559) 3.712 2.488 ( -0.559 0.000 -2.101) 2.174 2.532 ( 1.119 0.000 -1.211) 1.649 2.707 ( -1.200 0.000 -1.850) 2.205 2.732 ( -2.151 0.000 -2.862) 3.580 2.837 ( -1.624 0.000 0.589) 1.728 2.867 ( -1.992 0.000 1.064) 2.258 2.946 ( -4.331 0.000 -0.286) 4.340 3.030 ( -0.450 0.000 -3.524) 3.553 3.247 ( -6.521 0.000 0.341) 6.529 3.278 ( -4.491 0.000 1.643) 4.782 4.582 ( 5.076 0.000 0.152) 5.079 4.611 ( 5.027 0.000 -0.591) 5.062 4.709 ( 1.378 0.000 1.463) 2.010 4.747 ( 1.495 0.000 1.434) 2.072 5.069 ( -0.610 0.000 2.168) 2.252 5.112 ( -0.380 0.000 0.700) 0.797 5.243 ( 2.971 0.000 -1.809) 3.478 5.261 ( 5.194 0.000 -0.641) 5.233 5.308 ( 3.737 0.000 -0.355) 3.754 5.313 ( -0.611 0.000 0.625) 0.874 5.352 ( 0.125 0.000 0.451) 0.468 5.385 ( 2.462 0.000 -1.605) 2.939 5.607 ( 0.799 0.000 0.272) 0.843 5.737 ( -0.230 0.000 0.078) 0.243 5.826 ( 2.341 0.000 0.143) 2.345 5.841 ( 2.675 0.000 -0.011) 2.675 6.174 ( -3.640 0.000 -1.564) 3.962 6.225 ( -1.211 0.000 -1.373) 1.831 6.258 ( -4.949 0.000 -1.228) 5.099 6.300 ( -1.707 0.000 1.523) 2.287 6.418 ( 1.740 0.000 0.184) 1.750 6.448 ( 1.514 0.000 0.085) 1.516 6.513 ( 0.821 0.000 -2.274) 2.418 6.570 ( -0.310 0.000 -1.865) 1.891 6.634 ( 0.775 0.000 1.901) 2.053 6.675 ( -1.461 0.000 -0.704) 1.621 6.783 ( -1.919 0.000 -1.141) 2.232 6.899 ( -1.896 0.000 -0.976) 2.132 7.196 ( 1.490 0.000 1.307) 1.982 7.310 ( 0.819 0.000 0.276) 0.864 7.464 ( -1.217 0.000 -0.528) 1.327 7.467 ( -0.902 0.000 0.186) 0.921 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 8.817 0.000 7.590) 11.634 0.657 ( 5.126 0.000 5.119) 7.244 0.748 ( 6.118 0.000 4.659) 7.690 0.892 ( 3.551 0.000 6.100) 7.058 0.941 ( 0.639 0.000 5.525) 5.562 1.022 ( -0.703 0.000 -2.355) 2.458 1.042 ( 6.008 0.000 4.912) 7.761 1.167 ( 1.826 0.000 6.860) 7.099 1.195 ( 7.220 0.000 -2.862) 7.767 1.353 ( -0.632 0.000 0.711) 0.952 1.441 ( 6.818 0.000 -4.973) 8.439 1.476 ( 1.889 0.000 -2.018) 2.764 1.574 ( 2.662 0.000 4.483) 5.213 1.581 ( 4.493 0.000 0.186) 4.497 1.590 ( 6.455 0.000 1.622) 6.655 1.650 ( 1.081 0.000 -2.921) 3.115 1.695 ( 1.913 0.000 -3.806) 4.260 1.718 ( -2.066 0.000 -2.037) 2.901 1.903 ( -8.627 0.000 3.339) 9.250 1.923 ( -6.493 0.000 3.222) 7.248 2.090 ( -4.725 0.000 1.459) 4.946 2.130 ( 1.540 0.000 5.355) 5.572 2.188 ( 0.857 0.000 6.816) 6.870 2.202 ( -3.066 0.000 -0.460) 3.101 2.231 ( -1.226 0.000 -2.160) 2.484 2.308 ( -3.650 0.000 -1.683) 4.019 2.338 ( -2.334 0.000 2.836) 3.673 2.380 ( -1.671 0.000 3.644) 4.009 2.435 ( -0.154 0.000 -2.046) 2.052 2.472 ( -0.852 0.000 -2.259) 2.414 2.482 ( -4.520 0.000 -2.626) 5.227 2.502 ( -4.744 0.000 -0.725) 4.799 2.656 ( -2.302 0.000 -3.166) 3.914 2.704 ( -0.687 0.000 -1.118) 1.312 2.717 ( -8.680 0.000 -0.725) 8.710 2.801 ( -2.637 0.000 -0.304) 2.654 2.898 ( -0.656 0.000 -0.073) 0.660 2.982 ( -4.187 0.000 -6.205) 7.485 3.139 ( -1.916 0.000 0.370) 1.952 3.202 ( -2.497 0.000 0.186) 2.504 4.709 ( 6.033 0.000 0.343) 6.043 4.731 ( 5.080 0.000 0.427) 5.098 4.753 ( 3.227 0.000 1.135) 3.420 4.788 ( 2.329 0.000 1.132) 2.590 5.059 ( -0.061 0.000 2.477) 2.478 5.111 ( 0.680 0.000 0.581) 0.894 5.280 ( -2.695 0.000 1.588) 3.129 5.302 ( 2.934 0.000 -1.672) 3.377 5.337 ( -1.939 0.000 -0.442) 1.988 5.363 ( 3.318 0.000 -1.954) 3.851 5.419 ( 5.853 0.000 0.649) 5.888 5.456 ( 3.577 0.000 0.515) 3.614 5.650 ( 3.930 0.000 -0.406) 3.950 5.745 ( 1.502 0.000 0.410) 1.556 5.900 ( 4.675 0.000 -0.348) 4.687 5.924 ( 5.098 0.000 0.181) 5.101 6.074 ( -5.761 0.000 -1.330) 5.912 6.132 ( -6.945 0.000 -1.073) 7.027 6.186 ( -2.593 0.000 -1.731) 3.117 6.247 ( -3.388 0.000 1.035) 3.542 6.457 ( 1.751 0.000 -0.112) 1.754 6.474 ( 0.958 0.000 1.571) 1.840 6.539 ( 1.743 0.000 -2.030) 2.676 6.564 ( -0.107 0.000 -2.301) 2.303 6.641 ( -1.741 0.000 -0.956) 1.987 6.660 ( 1.694 0.000 1.116) 2.029 6.727 ( -3.227 0.000 -0.763) 3.316 6.844 ( -3.182 0.000 -0.443) 3.213 7.240 ( 2.674 0.000 0.913) 2.826 7.333 ( 1.415 0.000 0.390) 1.468 7.427 ( -2.273 0.000 -0.652) 2.365 7.442 ( -1.461 0.000 0.337) 1.499 ======================= Grid point 73 (28/48) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 5.288 0.000 5.546) 7.663 0.791 ( 5.672 0.000 8.082) 9.874 0.843 ( -0.626 0.000 8.813) 8.835 0.886 ( -3.396 0.000 6.781) 7.584 0.999 ( 4.463 0.000 4.065) 6.036 1.076 ( -2.146 0.000 2.730) 3.473 1.080 ( 7.541 0.000 -5.690) 9.447 1.197 ( -0.721 0.000 1.617) 1.770 1.340 ( 0.759 0.000 2.370) 2.488 1.358 ( 8.002 0.000 -3.157) 8.602 1.438 ( -6.266 0.000 -0.621) 6.296 1.512 ( -5.867 0.000 -1.594) 6.079 1.544 ( 4.446 0.000 -2.664) 5.183 1.623 ( 0.471 0.000 1.975) 2.031 1.644 ( -4.356 0.000 -2.071) 4.823 1.677 ( -3.580 0.000 0.724) 3.653 1.816 ( 3.106 0.000 2.857) 4.220 1.830 ( 15.114 0.000 2.708) 15.355 1.891 ( -0.030 0.000 -0.220) 0.222 1.897 ( 17.030 0.000 -0.123) 17.030 2.005 ( -0.896 0.000 2.299) 2.467 2.096 ( -6.264 0.000 0.195) 6.267 2.140 ( -8.962 0.000 5.935) 10.749 2.177 ( 1.374 0.000 4.916) 5.105 2.226 ( 0.369 0.000 -3.191) 3.212 2.235 ( -11.576 0.000 1.352) 11.655 2.248 ( -1.864 0.000 -2.698) 3.279 2.258 ( -8.169 0.000 1.338) 8.278 2.346 ( -0.830 0.000 6.004) 6.061 2.374 ( -4.294 0.000 5.460) 6.946 2.439 ( 0.519 0.000 -2.087) 2.151 2.454 ( -0.841 0.000 -2.262) 2.413 2.626 ( -0.385 0.000 -4.922) 4.937 2.634 ( -0.630 0.000 -4.395) 4.440 2.710 ( 0.950 0.000 -1.076) 1.436 2.745 ( -2.338 0.000 -1.069) 2.571 2.895 ( 0.396 0.000 -1.689) 1.735 2.916 ( -1.791 0.000 -3.830) 4.228 3.139 ( 0.928 0.000 -0.986) 1.354 3.164 ( -1.424 0.000 -1.003) 1.742 4.786 ( 2.014 0.000 1.424) 2.467 4.798 ( 1.374 0.000 1.320) 1.905 4.826 ( 1.976 0.000 0.428) 2.022 4.834 ( 1.338 0.000 0.542) 1.444 5.091 ( 3.497 0.000 2.707) 4.422 5.151 ( 1.830 0.000 0.679) 1.952 5.208 ( -2.549 0.000 1.487) 2.951 5.268 ( -4.336 0.000 -0.538) 4.370 5.362 ( 2.490 0.000 -1.706) 3.018 5.394 ( -0.237 0.000 -2.152) 2.165 5.500 ( 1.658 0.000 1.417) 2.181 5.507 ( 1.182 0.000 1.256) 1.725 5.775 ( 7.345 0.000 -0.714) 7.379 5.823 ( 5.769 0.000 0.070) 5.769 5.938 ( -6.992 0.000 -1.270) 7.107 5.977 ( -7.561 0.000 -0.705) 7.594 6.009 ( 5.308 0.000 -0.937) 5.390 6.041 ( 5.513 0.000 0.774) 5.567 6.116 ( -3.903 0.000 -2.206) 4.484 6.160 ( -4.876 0.000 0.362) 4.890 6.483 ( 0.681 0.000 0.687) 0.967 6.488 ( 0.254 0.000 2.215) 2.229 6.573 ( 1.054 0.000 -2.715) 2.913 6.587 ( 2.784 0.000 -1.726) 3.276 6.604 ( -1.745 0.000 -1.925) 2.598 6.653 ( -3.460 0.000 -1.851) 3.924 6.708 ( 2.696 0.000 1.493) 3.082 6.773 ( -3.430 0.000 0.336) 3.446 7.302 ( 3.151 0.000 0.496) 3.190 7.359 ( -0.569 0.000 1.025) 1.172 7.379 ( -0.662 0.000 -0.880) 1.101 7.408 ( -1.744 0.000 0.198) 1.756 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 4.743 7.306) 8.710 0.466 ( 0.000 -0.250 8.561) 8.565 0.682 ( 0.000 0.506 1.367) 1.457 0.741 ( 0.000 1.032 -0.580) 1.184 0.836 ( 0.000 -2.576 5.322) 5.913 0.885 ( 0.000 0.162 8.177) 8.179 0.970 ( 0.000 2.435 3.854) 4.559 1.115 ( 0.000 -0.533 4.530) 4.561 1.187 ( 0.000 -0.614 5.465) 5.500 1.189 ( 0.000 3.798 -0.692) 3.860 1.354 ( 0.000 1.077 0.196) 1.095 1.371 ( 0.000 0.624 -2.003) 2.098 1.452 ( 0.000 -1.632 -0.468) 1.698 1.575 ( 0.000 -3.395 -5.119) 6.143 1.617 ( 0.000 0.380 -1.739) 1.780 1.622 ( 0.000 0.371 -4.844) 4.858 1.692 ( 0.000 1.953 4.269) 4.694 1.726 ( 0.000 1.181 1.418) 1.846 2.090 ( 0.000 2.251 2.593) 3.434 2.123 ( 0.000 1.140 3.990) 4.149 2.149 ( 0.000 -0.440 4.998) 5.018 2.196 ( 0.000 -1.113 0.962) 1.471 2.237 ( 0.000 -0.370 1.442) 1.489 2.246 ( 0.000 1.915 -0.616) 2.011 2.271 ( 0.000 0.194 1.044) 1.062 2.379 ( 0.000 -0.465 -0.999) 1.102 2.406 ( 0.000 0.475 -1.227) 1.316 2.434 ( 0.000 -1.958 -1.978) 2.784 2.436 ( 0.000 0.220 -1.484) 1.501 2.457 ( 0.000 -3.126 -2.220) 3.834 2.481 ( 0.000 0.778 -1.985) 2.132 2.515 ( 0.000 -0.188 -2.029) 2.038 2.747 ( 0.000 2.816 -2.034) 3.474 2.789 ( 0.000 2.229 -3.838) 4.438 2.866 ( 0.000 0.734 1.707) 1.858 2.882 ( 0.000 0.866 1.115) 1.412 2.981 ( 0.000 -1.491 -0.899) 1.741 2.995 ( 0.000 -3.200 -1.828) 3.685 3.323 ( 0.000 -0.186 1.950) 1.959 3.332 ( 0.000 -0.502 0.067) 0.507 4.530 ( 0.000 0.436 -0.047) 0.438 4.551 ( 0.000 -0.332 -0.612) 0.696 4.704 ( 0.000 0.757 1.261) 1.471 4.732 ( 0.000 -0.081 1.203) 1.206 5.083 ( 0.000 0.589 1.264) 1.394 5.111 ( 0.000 -0.471 0.572) 0.741 5.203 ( 0.000 0.444 -0.403) 0.600 5.210 ( 0.000 0.520 -1.113) 1.228 5.273 ( 0.000 0.252 -1.773) 1.791 5.326 ( 0.000 0.610 0.198) 0.641 5.336 ( 0.000 -1.292 -2.071) 2.441 5.349 ( 0.000 -0.673 1.281) 1.447 5.619 ( 0.000 1.688 0.219) 1.703 5.716 ( 0.000 -2.111 0.065) 2.112 5.805 ( 0.000 0.212 0.228) 0.311 5.813 ( 0.000 -0.085 -0.025) 0.089 6.201 ( 0.000 -0.680 -1.296) 1.464 6.222 ( 0.000 -1.156 -1.377) 1.798 6.325 ( 0.000 0.412 -0.844) 0.939 6.328 ( 0.000 0.516 0.503) 0.721 6.400 ( 0.000 0.301 0.379) 0.484 6.419 ( 0.000 -0.411 -0.482) 0.633 6.513 ( 0.000 0.795 -1.731) 1.904 6.561 ( 0.000 -1.033 -1.109) 1.516 6.635 ( 0.000 0.762 1.407) 1.600 6.679 ( 0.000 -1.069 -0.319) 1.116 6.823 ( 0.000 1.696 -1.172) 2.061 6.904 ( 0.000 -1.348 -1.094) 1.736 7.199 ( 0.000 1.639 1.076) 1.961 7.284 ( 0.000 -1.519 0.274) 1.543 7.475 ( 0.000 -0.029 0.281) 0.283 7.477 ( 0.000 -0.081 -0.603) 0.609 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 8.462 4.367 6.283) 11.408 0.559 ( 6.973 2.069 8.251) 10.999 0.737 ( 0.670 1.754 0.062) 1.879 0.764 ( 6.133 -1.805 1.588) 6.588 0.853 ( 1.736 -2.467 6.577) 7.236 0.908 ( 2.280 -0.782 4.359) 4.981 1.024 ( 4.321 2.873 3.298) 6.148 1.157 ( 3.412 0.306 6.042) 6.945 1.169 ( 0.151 2.395 2.252) 3.291 1.227 ( 2.631 -1.026 -1.577) 3.234 1.353 ( 0.454 -0.218 1.459) 1.543 1.415 ( 3.096 0.503 -3.056) 4.379 1.484 ( 3.119 -0.597 0.023) 3.176 1.563 ( -0.646 0.525 -0.294) 0.883 1.601 ( -0.670 -0.890 -2.866) 3.074 1.619 ( 0.448 -1.511 -4.288) 4.568 1.685 ( -0.378 2.448 1.770) 3.044 1.740 ( 0.193 0.282 0.417) 0.539 2.047 ( -4.471 1.740 2.779) 5.545 2.106 ( -7.652 -0.468 1.983) 7.918 2.120 ( 0.195 0.697 4.671) 4.727 2.159 ( -0.629 -0.711 4.991) 5.080 2.190 ( -1.992 0.881 2.313) 3.177 2.254 ( -0.329 2.867 -2.648) 3.917 2.258 ( -1.409 -1.466 2.222) 3.012 2.360 ( -1.784 -0.474 -1.200) 2.202 2.387 ( -1.652 0.682 0.296) 1.811 2.411 ( -1.417 -0.720 0.548) 1.682 2.422 ( -1.439 -1.776 -1.674) 2.833 2.445 ( -0.614 -2.926 -2.104) 3.656 2.510 ( 1.562 1.007 -3.843) 4.269 2.535 ( 1.197 -0.004 -1.998) 2.329 2.736 ( -1.187 2.541 -1.951) 3.416 2.757 ( -2.651 1.839 -2.654) 4.178 2.855 ( -1.367 1.757 0.339) 2.252 2.870 ( -2.090 0.442 0.784) 2.276 2.939 ( -3.363 -0.789 -0.399) 3.478 2.994 ( -0.220 -3.235 -2.894) 4.346 3.241 ( -6.793 -0.332 0.055) 6.801 3.264 ( -5.232 -1.084 1.001) 5.436 4.587 ( 5.095 0.453 0.060) 5.115 4.608 ( 5.072 -0.315 -0.480) 5.105 4.718 ( 1.312 0.718 1.392) 2.043 4.747 ( 1.338 -0.191 1.229) 1.827 5.077 ( -0.555 0.640 1.499) 1.722 5.106 ( -0.402 -0.481 0.648) 0.901 5.256 ( 3.300 1.187 -1.300) 3.740 5.266 ( 5.075 0.464 -0.510) 5.121 5.298 ( 2.687 -0.434 -0.669) 2.803 5.323 ( 0.097 0.142 0.333) 0.375 5.346 ( 0.580 -0.325 -0.188) 0.691 5.372 ( 2.305 -1.021 -0.649) 2.603 5.624 ( 0.594 1.507 0.011) 1.620 5.714 ( -0.060 -1.965 0.185) 1.974 5.830 ( 2.433 0.291 0.152) 2.455 5.840 ( 2.628 -0.119 0.034) 2.631 6.166 ( -3.198 -0.320 -1.364) 3.492 6.200 ( -2.387 -1.607 -1.542) 3.265 6.275 ( -3.591 1.046 -0.872) 3.840 6.302 ( -2.185 -0.026 0.538) 2.251 6.423 ( 1.783 0.464 0.268) 1.862 6.444 ( 1.640 -0.329 0.091) 1.675 6.521 ( 0.780 0.742 -1.847) 2.138 6.562 ( 0.031 -0.737 -1.484) 1.657 6.637 ( 0.279 0.330 1.491) 1.552 6.666 ( -1.178 -0.761 -0.139) 1.409 6.802 ( -1.901 1.702 -1.120) 2.786 6.884 ( -1.904 -1.351 -0.954) 2.522 7.213 ( 1.375 1.539 0.990) 2.289 7.294 ( 0.907 -1.438 0.284) 1.723 7.464 ( -1.172 -0.013 -0.401) 1.238 7.466 ( -0.941 -0.086 0.109) 0.951 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 7.865 3.199 7.079) 11.055 0.713 ( 6.158 4.150 6.683) 9.991 0.779 ( 4.988 2.656 1.758) 5.918 0.880 ( 3.652 -2.228 5.158) 6.701 0.898 ( 2.842 -2.758 5.909) 7.113 0.975 ( 2.720 -2.928 -0.620) 4.044 1.103 ( 1.793 3.885 2.233) 4.826 1.199 ( 1.616 2.126 4.455) 5.194 1.230 ( 4.951 2.664 -2.016) 5.973 1.313 ( 3.952 -3.170 -1.643) 5.326 1.388 ( 3.135 -2.312 1.323) 4.113 1.470 ( 2.155 -2.005 -3.739) 4.758 1.566 ( 3.856 0.991 0.430) 4.004 1.612 ( 6.530 1.524 2.282) 7.084 1.632 ( 4.324 1.983 1.911) 5.126 1.653 ( -1.008 0.359 -2.477) 2.698 1.671 ( 2.634 -1.365 -3.188) 4.355 1.716 ( -2.244 -0.497 -1.195) 2.590 1.909 ( -8.394 0.438 3.477) 9.096 1.920 ( -7.257 -0.217 3.529) 8.072 2.089 ( -4.411 0.140 2.162) 4.914 2.128 ( -0.326 -0.620 4.275) 4.333 2.191 ( -0.537 0.821 5.570) 5.655 2.216 ( -0.945 0.279 3.288) 3.433 2.248 ( -0.264 2.253 -2.232) 3.182 2.307 ( -2.912 0.319 -2.004) 3.549 2.343 ( -2.445 0.355 2.732) 3.684 2.380 ( -1.874 -0.299 3.128) 3.659 2.397 ( -0.503 -2.645 -1.852) 3.267 2.428 ( -1.142 -3.273 -2.153) 4.080 2.504 ( -6.130 0.931 -0.467) 6.218 2.515 ( -3.049 0.842 -2.203) 3.855 2.681 ( -2.447 1.766 -2.904) 4.188 2.712 ( -3.416 0.337 -0.981) 3.570 2.740 ( -5.367 2.454 -2.410) 6.375 2.809 ( -3.297 0.490 -0.684) 3.403 2.908 ( -0.109 0.977 0.052) 0.985 2.974 ( -1.853 -0.680 -5.333) 5.686 3.114 ( -3.407 -1.744 -0.096) 3.829 3.171 ( -3.228 -2.676 -0.464) 4.219 4.715 ( 6.154 0.503 0.284) 6.181 4.732 ( 5.783 -0.023 0.075) 5.783 4.756 ( 2.451 0.396 1.458) 2.879 4.784 ( 2.172 -0.406 1.129) 2.481 5.067 ( 0.026 0.762 2.004) 2.144 5.104 ( 0.579 -0.600 0.685) 1.079 5.278 ( -2.018 0.152 0.797) 2.175 5.307 ( -0.510 -0.411 -0.244) 0.699 5.342 ( 1.425 1.249 -1.287) 2.290 5.380 ( 3.034 1.228 -1.118) 3.459 5.412 ( 5.530 -0.700 0.510) 5.597 5.441 ( 3.709 -1.236 0.270) 3.919 5.660 ( 3.542 0.978 -0.571) 3.719 5.726 ( 1.846 -1.554 0.070) 2.414 5.906 ( 4.733 0.427 -0.192) 4.756 5.922 ( 5.039 -0.215 0.156) 5.046 6.073 ( -5.591 0.061 -1.344) 5.750 6.110 ( -6.059 -1.488 -1.398) 6.394 6.203 ( -3.349 1.213 -1.137) 3.739 6.243 ( -3.537 -0.434 0.483) 3.596 6.464 ( 1.909 0.502 -0.003) 1.974 6.475 ( 1.243 0.037 1.120) 1.674 6.544 ( 1.210 0.388 -1.740) 2.155 6.561 ( 0.042 -0.272 -2.201) 2.219 6.637 ( -1.405 -0.178 -0.275) 1.443 6.653 ( 1.315 -0.594 1.223) 1.892 6.748 ( -3.179 1.732 -0.972) 3.748 6.829 ( -3.182 -1.354 -0.542) 3.500 7.254 ( 2.476 1.245 0.725) 2.865 7.320 ( 1.603 -1.187 0.334) 2.022 7.428 ( -2.176 0.138 -0.431) 2.223 7.439 ( -1.589 -0.249 0.234) 1.625 ======================= Grid point 80 (32/48) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 2.978 1.632 8.661) 9.303 0.797 ( 2.709 2.980 5.709) 6.986 0.899 ( 3.142 2.723 5.302) 6.738 0.907 ( 0.528 0.450 6.207) 6.246 0.992 ( 3.051 -0.686 4.234) 5.264 1.028 ( 3.449 -2.201 -1.291) 4.291 1.097 ( 0.643 0.891 -1.727) 2.047 1.189 ( -3.037 -1.057 -0.077) 3.217 1.357 ( 4.833 1.686 2.139) 5.548 1.386 ( 5.683 2.358 -2.890) 6.797 1.442 ( -1.300 0.127 -0.019) 1.306 1.516 ( 0.531 -0.878 -2.186) 2.415 1.534 ( -2.873 0.377 -0.827) 3.013 1.596 ( -1.772 -1.731 1.219) 2.761 1.627 ( -4.555 -1.508 -2.049) 5.217 1.645 ( -4.600 -2.722 1.009) 5.439 1.817 ( 5.618 0.454 2.955) 6.365 1.848 ( 12.416 0.714 2.217) 12.633 1.889 ( 6.659 0.941 1.207) 6.832 1.919 ( 11.208 0.738 0.166) 11.234 1.993 ( -2.853 -0.625 2.305) 3.721 2.056 ( -5.703 -2.729 1.138) 6.423 2.168 ( -6.892 2.011 4.674) 8.567 2.200 ( -3.419 0.794 1.999) 4.039 2.237 ( -4.308 2.253 2.380) 5.413 2.248 ( -2.296 1.203 -0.632) 2.668 2.269 ( -7.041 1.000 1.435) 7.255 2.272 ( -3.945 1.696 -1.630) 4.593 2.337 ( -1.088 -0.955 5.490) 5.677 2.369 ( -4.196 -0.700 5.558) 6.999 2.402 ( -0.072 -3.007 -1.392) 3.315 2.415 ( -1.006 -3.171 -1.825) 3.795 2.660 ( 0.058 2.444 -4.987) 5.554 2.666 ( -0.096 2.368 -4.386) 4.985 2.716 ( 0.315 0.468 -1.620) 1.715 2.745 ( -2.371 -0.139 -1.677) 2.907 2.915 ( 0.690 2.049 -1.588) 2.683 2.937 ( -1.428 2.221 -3.696) 4.543 3.096 ( 0.673 -3.722 -1.234) 3.978 3.122 ( -1.699 -3.672 -1.502) 4.316 4.794 ( 1.870 0.709 1.341) 2.408 4.803 ( 1.510 0.431 1.200) 1.976 4.823 ( 1.869 -0.269 0.587) 1.978 4.829 ( 1.437 -0.483 0.613) 1.635 5.101 ( 3.543 0.952 2.248) 4.303 5.147 ( 3.126 -0.495 0.470) 3.200 5.207 ( -3.850 0.092 1.617) 4.177 5.251 ( -4.187 -1.362 -0.157) 4.406 5.387 ( 2.223 2.081 -1.349) 3.330 5.414 ( 0.038 1.725 -1.644) 2.383 5.484 ( 1.595 -1.472 0.965) 2.376 5.494 ( 0.922 -1.153 0.787) 1.673 5.779 ( 7.217 0.421 -0.814) 7.275 5.812 ( 6.196 -0.843 -0.330) 6.262 5.938 ( -7.105 0.077 -1.167) 7.201 5.965 ( -7.364 -0.958 -0.796) 7.468 6.016 ( 5.422 0.586 -0.746) 5.504 6.039 ( 5.638 -0.244 0.255) 5.649 6.124 ( -4.360 0.673 -1.463) 4.648 6.154 ( -4.894 -0.489 0.166) 4.921 6.494 ( 0.841 0.880 0.366) 1.271 6.497 ( 0.705 0.880 1.418) 1.812 6.555 ( 0.481 -1.089 -1.702) 2.077 6.571 ( -0.257 -1.341 -1.990) 2.414 6.625 ( 1.138 1.612 -1.002) 2.213 6.677 ( -3.041 1.789 -1.882) 3.999 6.695 ( 2.380 -1.091 1.415) 2.976 6.758 ( -3.392 -1.322 0.093) 3.642 7.312 ( 2.949 0.867 0.398) 3.100 7.356 ( 1.358 -0.532 0.685) 1.612 7.377 ( -2.211 0.115 -0.487) 2.267 7.402 ( -1.938 -0.552 0.186) 2.023 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 -1.370 3.377) 3.645 0.471 ( 0.000 1.370 3.377) 3.645 0.689 ( 0.000 -1.945 6.466) 6.753 0.689 ( 0.000 1.945 6.466) 6.753 0.852 ( 0.000 -1.622 -1.837) 2.450 0.852 ( 0.000 1.622 -1.837) 2.450 1.090 ( 0.000 -4.931 3.254) 5.908 1.090 ( 0.000 4.931 3.254) 5.908 1.171 ( 0.000 -2.172 10.242) 10.469 1.171 ( 0.000 2.172 10.242) 10.469 1.397 ( 0.000 -1.010 -3.404) 3.551 1.397 ( 0.000 1.010 -3.404) 3.551 1.472 ( 0.000 -5.221 -3.674) 6.384 1.472 ( 0.000 5.221 -3.674) 6.384 1.625 ( 0.000 -0.126 -4.236) 4.238 1.625 ( 0.000 0.126 -4.236) 4.238 1.730 ( 0.000 -1.049 4.818) 4.931 1.730 ( 0.000 1.049 4.818) 4.931 2.135 ( 0.000 -1.234 4.665) 4.826 2.135 ( 0.000 1.234 4.665) 4.826 2.155 ( 0.000 -2.266 2.310) 3.236 2.155 ( 0.000 2.266 2.310) 3.236 2.238 ( 0.000 -0.603 1.991) 2.081 2.238 ( 0.000 0.603 1.991) 2.081 2.353 ( 0.000 -5.221 -2.116) 5.633 2.353 ( 0.000 5.221 -2.116) 5.633 2.391 ( 0.000 -1.573 -1.695) 2.313 2.391 ( 0.000 1.573 -1.695) 2.313 2.429 ( 0.000 -0.624 -0.857) 1.060 2.429 ( 0.000 0.624 -0.857) 1.060 2.502 ( 0.000 -0.951 -2.561) 2.732 2.502 ( 0.000 0.951 -2.561) 2.732 2.806 ( 0.000 -1.317 -3.138) 3.403 2.806 ( 0.000 1.317 -3.138) 3.403 2.898 ( 0.000 -1.778 2.059) 2.720 2.898 ( 0.000 1.778 2.059) 2.720 2.940 ( 0.000 -1.090 -2.012) 2.288 2.940 ( 0.000 1.090 -2.012) 2.288 3.322 ( 0.000 -0.235 0.661) 0.702 3.322 ( 0.000 0.235 0.661) 0.702 4.541 ( 0.000 -0.541 -0.312) 0.625 4.541 ( 0.000 0.541 -0.312) 0.625 4.722 ( 0.000 -0.819 1.131) 1.396 4.722 ( 0.000 0.819 1.131) 1.396 5.098 ( 0.000 -0.738 0.539) 0.914 5.098 ( 0.000 0.738 0.539) 0.914 5.212 ( 0.000 -0.308 -0.348) 0.465 5.212 ( 0.000 0.308 -0.348) 0.465 5.297 ( 0.000 -1.899 -2.548) 3.178 5.297 ( 0.000 1.899 -2.548) 3.178 5.337 ( 0.000 -0.459 1.099) 1.191 5.337 ( 0.000 0.459 1.099) 1.191 5.665 ( 0.000 -2.461 0.193) 2.468 5.665 ( 0.000 2.461 0.193) 2.468 5.810 ( 0.000 -0.230 0.114) 0.257 5.810 ( 0.000 0.230 0.114) 0.257 6.201 ( 0.000 -0.649 -1.416) 1.558 6.201 ( 0.000 0.649 -1.416) 1.558 6.332 ( 0.000 -0.161 -0.443) 0.472 6.332 ( 0.000 0.161 -0.443) 0.472 6.409 ( 0.000 -0.480 -0.016) 0.480 6.409 ( 0.000 0.480 -0.016) 0.480 6.536 ( 0.000 -1.226 -0.925) 1.536 6.536 ( 0.000 1.226 -0.925) 1.536 6.655 ( 0.000 -1.084 0.602) 1.240 6.655 ( 0.000 1.084 0.602) 1.240 6.866 ( 0.000 -2.121 -1.055) 2.369 6.866 ( 0.000 2.121 -1.055) 2.369 7.242 ( 0.000 -2.225 0.504) 2.282 7.242 ( 0.000 2.225 0.504) 2.282 7.475 ( 0.000 -0.038 -0.144) 0.149 7.475 ( 0.000 0.038 -0.144) 0.149 ======================= Grid point 86 (34/48) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 9.048 -2.344 3.340) 9.926 0.586 ( 9.048 2.344 3.340) 9.926 0.716 ( 2.579 -1.129 6.979) 7.525 0.716 ( 2.579 1.129 6.979) 7.525 0.873 ( 1.672 -2.422 -1.125) 3.151 0.873 ( 1.672 2.422 -1.125) 3.151 1.117 ( 2.941 -3.801 0.982) 4.905 1.117 ( 2.941 3.801 0.982) 4.905 1.195 ( 2.231 -2.284 9.058) 9.604 1.195 ( 2.231 2.284 9.058) 9.604 1.395 ( -0.280 -2.724 -3.866) 4.738 1.395 ( -0.280 2.724 -3.866) 4.738 1.514 ( 4.124 -3.337 -2.302) 5.783 1.514 ( 4.124 3.337 -2.302) 5.783 1.603 ( -1.216 -0.749 -1.883) 2.363 1.603 ( -1.216 0.749 -1.883) 2.363 1.730 ( -0.462 -1.393 2.361) 2.780 1.730 ( -0.462 1.393 2.361) 2.780 2.085 ( -6.234 -1.557 2.820) 7.017 2.085 ( -6.234 1.557 2.820) 7.017 2.138 ( -0.454 -1.030 4.615) 4.750 2.138 ( -0.454 1.030 4.615) 4.750 2.219 ( -1.137 -1.784 2.631) 3.376 2.219 ( -1.137 1.784 2.631) 3.376 2.343 ( -0.933 -4.875 -1.919) 5.322 2.343 ( -0.933 4.875 -1.919) 5.322 2.373 ( -1.547 -1.483 -1.609) 2.680 2.373 ( -1.547 1.483 -1.609) 2.680 2.409 ( -1.469 -0.944 0.344) 1.779 2.409 ( -1.469 0.944 0.344) 1.779 2.528 ( 1.636 -0.644 -3.076) 3.543 2.528 ( 1.636 0.644 -3.076) 3.543 2.779 ( -2.455 -0.458 -1.949) 3.168 2.779 ( -2.455 0.458 -1.949) 3.168 2.902 ( -3.550 -1.507 -1.762) 4.240 2.902 ( -3.550 1.507 -1.762) 4.240 2.913 ( 0.992 -2.735 0.220) 2.917 2.913 ( 0.992 2.735 0.220) 2.917 3.243 ( -6.541 -0.652 0.046) 6.574 3.243 ( -6.541 0.652 0.046) 6.574 4.598 ( 5.109 -0.549 -0.196) 5.142 4.598 ( 5.109 0.549 -0.196) 5.142 4.735 ( 1.247 -0.815 1.229) 1.932 4.735 ( 1.247 0.815 1.229) 1.932 5.093 ( -0.468 -0.767 0.763) 1.178 5.093 ( -0.468 0.767 0.763) 1.178 5.275 ( 5.251 -0.225 -0.053) 5.257 5.275 ( 5.251 0.225 -0.053) 5.257 5.304 ( 0.386 -1.356 -1.553) 2.097 5.304 ( 0.386 1.356 -1.553) 2.097 5.352 ( 1.467 -0.744 0.250) 1.664 5.352 ( 1.467 0.744 0.250) 1.664 5.666 ( 0.235 -2.300 0.005) 2.312 5.666 ( 0.235 2.300 0.005) 2.312 5.836 ( 2.550 -0.263 0.120) 2.566 5.836 ( 2.550 0.263 0.120) 2.566 6.172 ( -2.815 -0.882 -1.502) 3.311 6.172 ( -2.815 0.882 -1.502) 3.311 6.294 ( -2.813 -0.694 -0.380) 2.922 6.294 ( -2.813 0.694 -0.380) 2.922 6.435 ( 1.799 -0.544 0.191) 1.889 6.435 ( 1.799 0.544 0.191) 1.889 6.541 ( 0.536 -1.058 -1.289) 1.751 6.541 ( 0.536 1.058 -1.289) 1.751 6.649 ( -0.561 -0.719 0.713) 1.157 6.649 ( -0.561 0.719 0.713) 1.157 6.845 ( -1.901 -2.115 -0.998) 3.014 6.845 ( -1.901 2.115 -0.998) 3.014 7.254 ( 1.128 -2.101 0.491) 2.434 7.254 ( 1.128 2.101 0.491) 2.434 7.464 ( -1.053 -0.055 -0.123) 1.062 7.464 ( -1.053 0.055 -0.123) 1.062 ======================= Grid point 88 (35/48) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 6.011 -4.415 5.581) 9.315 0.763 ( 6.011 4.415 5.581) 9.315 0.809 ( 7.104 -4.389 6.216) 10.410 0.809 ( 7.104 4.389 6.216) 10.410 0.902 ( 0.922 -3.624 0.079) 3.740 0.902 ( 0.922 3.624 0.079) 3.740 1.192 ( 1.470 -3.718 -0.859) 4.089 1.192 ( 1.470 3.718 -0.859) 4.089 1.264 ( 5.406 -1.052 2.499) 6.048 1.264 ( 5.406 1.052 2.499) 6.048 1.402 ( 1.625 -3.377 -1.755) 4.138 1.402 ( 1.625 3.377 -1.755) 4.138 1.604 ( 3.072 -2.020 -1.032) 3.819 1.604 ( 3.072 2.020 -1.032) 3.819 1.648 ( 7.079 -0.486 0.652) 7.126 1.648 ( 7.079 0.486 0.652) 7.126 1.693 ( -3.339 -1.712 -0.343) 3.768 1.693 ( -3.339 1.712 -0.343) 3.768 1.916 ( -8.039 -0.208 3.762) 8.878 1.916 ( -8.039 0.208 3.762) 8.878 2.104 ( -3.351 -1.230 2.974) 4.646 2.104 ( -3.351 1.230 2.974) 4.646 2.212 ( 0.523 -0.728 5.248) 5.324 2.212 ( 0.523 0.728 5.248) 5.324 2.316 ( -1.597 -3.081 -0.932) 3.593 2.316 ( -1.597 3.081 -0.932) 3.593 2.341 ( -1.171 -2.469 -1.409) 3.075 2.341 ( -1.171 2.469 -1.409) 3.075 2.375 ( -1.875 -0.893 1.200) 2.398 2.375 ( -1.875 0.893 1.200) 2.398 2.520 ( -4.731 -0.408 -0.962) 4.845 2.520 ( -4.731 0.408 -0.962) 4.845 2.709 ( -3.325 -0.726 -1.871) 3.884 2.709 ( -3.325 0.726 -1.871) 3.884 2.798 ( -4.708 -1.974 -2.735) 5.792 2.798 ( -4.708 1.974 -2.735) 5.792 2.943 ( 1.665 -2.201 -1.295) 3.048 2.943 ( 1.665 2.201 -1.295) 3.048 3.112 ( -5.038 -2.033 -1.385) 5.607 3.112 ( -5.038 2.033 -1.385) 5.607 4.726 ( 6.218 -0.492 0.109) 6.239 4.726 ( 6.218 0.492 0.109) 6.239 4.771 ( 2.018 -0.807 1.333) 2.550 4.771 ( 2.018 0.807 1.333) 2.550 5.087 ( 0.294 -0.957 1.181) 1.548 5.087 ( 0.294 0.957 1.181) 1.548 5.290 ( -1.909 -0.857 0.252) 2.107 5.290 ( -1.909 0.857 0.252) 2.107 5.380 ( 3.265 -1.783 -0.569) 3.763 5.380 ( 3.265 1.783 -0.569) 3.763 5.413 ( 4.301 -1.274 -0.116) 4.487 5.413 ( 4.301 1.274 -0.116) 4.487 5.689 ( 2.651 -1.713 -0.497) 3.195 5.689 ( 2.651 1.713 -0.497) 3.195 5.915 ( 4.893 -0.404 0.040) 4.910 5.915 ( 4.893 0.404 0.040) 4.910 6.083 ( -5.587 -0.913 -1.448) 5.844 6.083 ( -5.587 0.913 -1.448) 5.844 6.227 ( -3.609 -0.978 -0.382) 3.758 6.227 ( -3.609 0.978 -0.382) 3.758 6.473 ( 1.823 -0.272 0.374) 1.880 6.473 ( 1.823 0.272 0.374) 1.880 6.553 ( 0.330 -0.423 -1.758) 1.839 6.553 ( 0.330 0.423 -1.758) 1.839 6.640 ( 0.020 -0.476 0.751) 0.889 6.640 ( 0.020 0.476 0.751) 0.889 6.791 ( -3.169 -2.106 -0.815) 3.892 6.791 ( -3.169 2.106 -0.815) 3.892 7.288 ( 2.030 -1.731 0.415) 2.700 7.288 ( 2.030 1.731 0.415) 2.700 7.433 ( -1.894 -0.288 -0.046) 1.916 7.433 ( -1.894 0.288 -0.046) 1.916 ======================= Grid point 90 (36/48) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 2.977 -2.183 6.717) 7.665 0.850 ( 2.977 2.183 6.717) 7.665 0.890 ( -0.727 -3.096 5.723) 6.547 0.890 ( -0.727 3.096 5.723) 6.547 0.998 ( 8.385 -2.112 -0.342) 8.653 0.998 ( 8.385 2.112 -0.342) 8.653 1.145 ( -5.072 -2.973 -0.753) 5.927 1.145 ( -5.072 2.973 -0.753) 5.927 1.402 ( 6.808 -2.004 -0.008) 7.097 1.402 ( 6.808 2.004 -0.008) 7.097 1.467 ( 4.103 -3.046 -1.158) 5.239 1.467 ( 4.103 3.046 -1.158) 5.239 1.573 ( -7.123 -2.572 0.420) 7.585 1.573 ( -7.123 2.572 0.420) 7.585 1.595 ( -4.948 -0.987 -0.523) 5.073 1.595 ( -4.948 0.987 -0.523) 5.073 1.839 ( 8.725 -1.266 2.680) 9.214 1.839 ( 8.725 1.266 2.680) 9.214 1.916 ( 9.640 -0.955 1.595) 9.817 1.916 ( 9.640 0.955 1.595) 9.817 2.004 ( -4.905 -1.790 1.358) 5.395 2.004 ( -4.905 1.790 1.358) 5.395 2.201 ( -6.709 -0.702 2.248) 7.110 2.201 ( -6.709 0.702 2.248) 7.110 2.279 ( -2.264 -0.626 2.787) 3.645 2.279 ( -2.264 0.626 2.787) 3.645 2.295 ( -5.073 -1.815 2.204) 5.821 2.295 ( -5.073 1.815 2.204) 5.821 2.332 ( 0.186 -2.929 -0.751) 3.030 2.332 ( 0.186 2.929 -0.751) 3.030 2.358 ( -3.129 -0.839 2.342) 3.997 2.358 ( -3.129 0.839 2.342) 3.997 2.695 ( 1.156 -0.373 -3.441) 3.650 2.695 ( 1.156 0.373 -3.441) 3.650 2.731 ( -2.215 -1.057 -3.167) 4.007 2.731 ( -2.215 1.057 -3.167) 4.007 2.982 ( 2.117 -2.615 -2.151) 3.993 2.982 ( 2.117 2.615 -2.151) 3.993 3.033 ( -2.861 -2.704 -2.176) 4.498 3.033 ( -2.861 2.704 -2.176) 4.498 4.811 ( 1.649 -0.418 1.208) 2.087 4.811 ( 1.649 0.418 1.208) 2.087 4.817 ( 1.688 -0.258 0.680) 1.837 4.817 ( 1.688 0.258 0.680) 1.837 5.127 ( 3.767 -1.296 1.198) 4.160 5.127 ( 3.767 1.296 1.198) 4.160 5.221 ( -4.448 -1.235 0.826) 4.690 5.221 ( -4.448 1.235 0.826) 4.690 5.435 ( 2.210 -1.879 -0.556) 2.953 5.435 ( 2.210 1.879 -0.556) 2.953 5.462 ( 0.113 -1.479 -0.111) 1.488 5.462 ( 0.113 1.479 -0.111) 1.488 5.793 ( 6.854 -0.856 -0.814) 6.955 5.793 ( 6.854 0.856 -0.814) 6.955 5.946 ( -7.231 -0.687 -0.978) 7.330 5.946 ( -7.231 0.687 -0.978) 7.330 6.029 ( 5.626 -0.593 -0.359) 5.669 6.029 ( 5.626 0.593 -0.359) 5.669 6.140 ( -4.798 -0.791 -0.424) 4.881 6.140 ( -4.798 0.791 -0.424) 4.881 6.511 ( 1.796 -0.308 -0.032) 1.822 6.511 ( 1.796 0.308 -0.032) 1.822 6.544 ( -1.202 -0.682 -0.958) 1.681 6.544 ( -1.202 0.682 -0.958) 1.681 6.662 ( 2.136 -1.762 -0.018) 2.769 6.662 ( 2.136 1.762 -0.018) 2.769 6.721 ( -3.293 -2.059 -0.537) 3.920 6.721 ( -3.293 2.059 -0.537) 3.920 7.336 ( 2.474 -1.211 0.268) 2.768 7.336 ( 2.474 1.211 0.268) 2.768 7.387 ( -2.403 -0.693 0.095) 2.503 7.387 ( -2.403 0.693 0.095) 2.503 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.511 ( 0.000 0.000 8.441) 8.441 0.609 ( 0.000 0.000 3.199) 3.199 0.634 ( 0.000 0.000 -4.146) 4.146 0.662 ( 0.000 0.000 -3.060) 3.060 0.995 ( 0.000 0.000 4.063) 4.063 1.021 ( 0.000 0.000 1.684) 1.684 1.086 ( 0.000 0.000 4.729) 4.729 1.095 ( 0.000 0.000 6.658) 6.658 1.144 ( 0.000 0.000 -2.033) 2.033 1.218 ( 0.000 0.000 -3.186) 3.186 1.357 ( 0.000 0.000 2.792) 2.792 1.385 ( 0.000 0.000 0.510) 0.510 1.480 ( 0.000 0.000 0.046) 0.046 1.519 ( 0.000 0.000 -4.744) 4.744 1.558 ( 0.000 0.000 -1.390) 1.390 1.564 ( 0.000 0.000 -1.831) 1.831 1.709 ( 0.000 0.000 2.020) 2.020 1.734 ( 0.000 0.000 1.202) 1.202 2.099 ( 0.000 0.000 1.976) 1.976 2.141 ( 0.000 0.000 -2.603) 2.603 2.170 ( 0.000 0.000 2.495) 2.495 2.204 ( 0.000 0.000 -0.394) 0.394 2.251 ( 0.000 0.000 1.491) 1.491 2.262 ( 0.000 0.000 0.381) 0.381 2.336 ( 0.000 0.000 3.234) 3.234 2.387 ( 0.000 0.000 -0.043) 0.043 2.391 ( 0.000 0.000 0.031) 0.031 2.398 ( 0.000 0.000 -3.334) 3.334 2.406 ( 0.000 0.000 1.251) 1.251 2.446 ( 0.000 0.000 -2.713) 2.713 2.468 ( 0.000 0.000 -0.119) 0.119 2.483 ( 0.000 0.000 -1.586) 1.586 2.695 ( 0.000 0.000 -0.662) 0.662 2.700 ( 0.000 0.000 -1.479) 1.479 2.877 ( 0.000 0.000 0.488) 0.488 2.880 ( 0.000 0.000 -0.069) 0.069 2.991 ( 0.000 0.000 0.136) 0.136 3.003 ( 0.000 0.000 -1.036) 1.036 3.348 ( 0.000 0.000 0.846) 0.846 3.356 ( 0.000 0.000 0.408) 0.408 4.529 ( 0.000 0.000 0.405) 0.405 4.540 ( 0.000 0.000 -0.708) 0.708 4.723 ( 0.000 0.000 1.473) 1.473 4.742 ( 0.000 0.000 -0.367) 0.367 5.112 ( 0.000 0.000 1.408) 1.408 5.125 ( 0.000 0.000 -0.009) 0.009 5.180 ( 0.000 0.000 -0.243) 0.243 5.187 ( 0.000 0.000 -0.615) 0.615 5.268 ( 0.000 0.000 0.595) 0.595 5.303 ( 0.000 0.000 -2.998) 2.998 5.329 ( 0.000 0.000 1.290) 1.290 5.352 ( 0.000 0.000 -0.772) 0.772 5.644 ( 0.000 0.000 3.512) 3.512 5.709 ( 0.000 0.000 -2.907) 2.907 5.807 ( 0.000 0.000 0.241) 0.241 5.811 ( 0.000 0.000 -0.186) 0.186 6.214 ( 0.000 0.000 1.766) 1.766 6.245 ( 0.000 0.000 1.955) 1.955 6.270 ( 0.000 0.000 -3.555) 3.555 6.299 ( 0.000 0.000 -3.098) 3.098 6.406 ( 0.000 0.000 0.352) 0.352 6.413 ( 0.000 0.000 -0.458) 0.458 6.522 ( 0.000 0.000 3.790) 3.790 6.583 ( 0.000 0.000 2.538) 2.538 6.604 ( 0.000 0.000 -3.833) 3.833 6.646 ( 0.000 0.000 -3.417) 3.417 6.824 ( 0.000 0.000 2.930) 2.930 6.882 ( 0.000 0.000 -2.688) 2.688 7.228 ( 0.000 0.000 3.168) 3.168 7.283 ( 0.000 0.000 -2.180) 2.180 7.471 ( 0.000 0.000 0.129) 0.129 7.477 ( 0.000 0.000 -0.270) 0.270 ======================= Grid point 106 (38/48) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 8.049 0.000 8.428) 11.654 0.636 ( 2.705 0.000 2.065) 3.404 0.669 ( 1.327 0.000 -2.145) 2.522 0.737 ( 8.438 0.000 -5.016) 9.816 1.021 ( 1.801 0.000 5.104) 5.412 1.075 ( 2.409 0.000 -0.834) 2.549 1.094 ( -0.226 0.000 6.868) 6.871 1.095 ( 2.949 0.000 7.044) 7.636 1.195 ( 5.359 0.000 -4.062) 6.725 1.220 ( 0.126 0.000 -3.314) 3.316 1.363 ( 0.551 0.000 2.940) 2.991 1.410 ( 1.827 0.000 -0.598) 1.922 1.507 ( 2.803 0.000 0.549) 2.856 1.548 ( 2.832 0.000 -4.090) 4.975 1.548 ( -0.087 0.000 -0.506) 0.513 1.557 ( -0.122 0.000 -1.548) 1.552 1.686 ( -1.793 0.000 2.870) 3.384 1.732 ( -0.944 0.000 -0.790) 1.231 2.071 ( -3.039 0.000 2.222) 3.764 2.108 ( -4.064 0.000 -1.498) 4.331 2.188 ( 1.623 0.000 3.600) 3.949 2.203 ( -3.842 0.000 0.785) 3.922 2.206 ( -3.690 0.000 0.296) 3.702 2.234 ( 2.471 0.000 0.031) 2.472 2.314 ( -2.452 0.000 2.414) 3.441 2.358 ( -3.226 0.000 -1.744) 3.668 2.386 ( 0.061 0.000 0.632) 0.635 2.400 ( 0.421 0.000 0.273) 0.502 2.411 ( -0.033 0.000 -0.207) 0.210 2.440 ( -0.503 0.000 -2.556) 2.605 2.466 ( -0.249 0.000 0.026) 0.250 2.493 ( 0.675 0.000 -2.578) 2.665 2.681 ( -1.384 0.000 -0.329) 1.422 2.693 ( -0.693 0.000 -1.368) 1.534 2.851 ( -1.977 0.000 0.820) 2.140 2.867 ( -2.193 0.000 -0.739) 2.314 2.948 ( -3.941 0.000 0.754) 4.012 2.976 ( -3.020 0.000 -2.134) 3.698 3.266 ( -6.351 0.000 1.507) 6.527 3.289 ( -5.422 0.000 -0.522) 5.447 4.588 ( 5.222 0.000 0.476) 5.243 4.599 ( 5.238 0.000 -0.664) 5.279 4.738 ( 1.449 0.000 1.483) 2.074 4.758 ( 1.425 0.000 -0.363) 1.471 5.106 ( -0.461 0.000 1.467) 1.538 5.120 ( -0.391 0.000 -0.026) 0.392 5.225 ( 3.247 0.000 0.155) 3.250 5.243 ( 4.260 0.000 -1.283) 4.449 5.310 ( 4.354 0.000 0.725) 4.414 5.329 ( -0.222 0.000 1.247) 1.267 5.340 ( 3.801 0.000 -2.375) 4.482 5.351 ( -0.318 0.000 -0.753) 0.817 5.647 ( 0.421 0.000 3.346) 3.372 5.710 ( 0.148 0.000 -2.767) 2.771 5.830 ( 2.285 0.000 0.333) 2.309 5.838 ( 2.563 0.000 -0.351) 2.587 6.172 ( -3.724 0.000 1.426) 3.988 6.217 ( -4.474 0.000 -2.801) 5.279 6.230 ( -1.392 0.000 1.901) 2.356 6.283 ( -1.586 0.000 -2.896) 3.302 6.424 ( 1.521 0.000 0.519) 1.607 6.439 ( 1.919 0.000 -0.966) 2.149 6.527 ( 0.455 0.000 3.445) 3.475 6.577 ( -0.581 0.000 2.434) 2.502 6.606 ( 0.197 0.000 -3.976) 3.981 6.635 ( -0.952 0.000 -3.076) 3.220 6.808 ( -1.473 0.000 3.055) 3.391 6.865 ( -1.573 0.000 -2.538) 2.986 7.240 ( 1.133 0.000 2.975) 3.183 7.292 ( 0.892 0.000 -2.115) 2.295 7.459 ( -1.114 0.000 0.238) 1.140 7.467 ( -0.940 0.000 -0.338) 0.999 ======================= Grid point 107 (39/48) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 5.283 0.000 2.254) 5.743 0.765 ( 7.923 0.000 -2.398) 8.278 0.791 ( 8.556 0.000 8.006) 11.717 0.917 ( 7.258 0.000 -3.951) 8.264 1.043 ( 0.442 0.000 4.139) 4.163 1.077 ( -1.792 0.000 7.425) 7.638 1.085 ( 0.156 0.000 -0.577) 0.598 1.214 ( -1.146 0.000 -4.531) 4.674 1.224 ( 6.839 0.000 5.920) 9.045 1.341 ( 6.938 0.000 -5.705) 8.983 1.377 ( 0.795 0.000 3.654) 3.740 1.440 ( 0.872 0.000 -2.242) 2.406 1.595 ( 4.857 0.000 1.247) 5.015 1.599 ( 4.169 0.000 -0.400) 4.188 1.610 ( 4.703 0.000 -1.432) 4.916 1.631 ( 4.476 0.000 -2.645) 5.199 1.641 ( 0.894 0.000 3.363) 3.480 1.691 ( -2.148 0.000 -1.527) 2.636 1.958 ( -7.423 0.000 2.090) 7.712 1.968 ( -7.044 0.000 1.141) 7.136 2.122 ( -3.384 0.000 1.889) 3.875 2.161 ( -1.531 0.000 -2.352) 2.806 2.231 ( 2.248 0.000 5.000) 5.482 2.237 ( -4.395 0.000 1.499) 4.644 2.273 ( -4.523 0.000 -2.023) 4.955 2.291 ( 2.645 0.000 1.032) 2.839 2.376 ( -1.889 0.000 1.770) 2.588 2.397 ( -1.255 0.000 0.162) 1.265 2.409 ( -0.137 0.000 -0.324) 0.352 2.428 ( -0.652 0.000 -2.085) 2.185 2.446 ( -2.143 0.000 -0.174) 2.150 2.486 ( -2.439 0.000 -2.464) 3.467 2.635 ( -3.037 0.000 1.438) 3.360 2.675 ( -0.870 0.000 -2.012) 2.191 2.738 ( -8.856 0.000 2.431) 9.184 2.787 ( -4.736 0.000 -1.770) 5.056 2.883 ( -1.777 0.000 -1.422) 2.276 2.884 ( -3.767 0.000 -2.551) 4.549 3.159 ( -3.020 0.000 1.544) 3.391 3.189 ( -3.455 0.000 -1.402) 3.729 4.718 ( 6.340 0.000 0.617) 6.370 4.729 ( 6.324 0.000 -0.446) 6.340 4.779 ( 2.338 0.000 1.375) 2.713 4.797 ( 2.158 0.000 -0.320) 2.181 5.100 ( 0.238 0.000 1.653) 1.670 5.117 ( 0.432 0.000 -0.136) 0.453 5.289 ( 2.930 0.000 0.448) 2.964 5.306 ( -2.237 0.000 1.288) 2.582 5.318 ( 2.749 0.000 -2.323) 3.599 5.327 ( -2.248 0.000 -0.771) 2.377 5.435 ( 6.301 0.000 0.952) 6.373 5.452 ( 5.612 0.000 -0.728) 5.659 5.673 ( 2.660 0.000 2.552) 3.686 5.725 ( 1.749 0.000 -2.345) 2.926 5.902 ( 4.435 0.000 0.522) 4.465 5.917 ( 4.891 0.000 -0.843) 4.963 6.070 ( -5.886 0.000 0.931) 5.960 6.101 ( -6.444 0.000 -1.978) 6.741 6.186 ( -2.854 0.000 1.726) 3.335 6.232 ( -3.270 0.000 -2.359) 4.032 6.460 ( 1.834 0.000 0.644) 1.944 6.481 ( 2.041 0.000 -1.202) 2.369 6.544 ( 1.200 0.000 2.459) 2.736 6.559 ( -1.124 0.000 2.104) 2.385 6.608 ( -1.646 0.000 -2.434) 2.938 6.612 ( 0.271 0.000 -4.078) 4.087 6.769 ( -1.988 0.000 3.205) 3.772 6.821 ( -2.524 0.000 -2.034) 3.242 7.274 ( 2.077 0.000 2.403) 3.176 7.319 ( 1.597 0.000 -1.911) 2.490 7.426 ( -1.964 0.000 0.596) 2.053 7.440 ( -1.614 0.000 -0.544) 1.704 ======================= Grid point 108 (40/48) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 7.867 0.000 5.117) 9.384 0.932 ( 4.737 0.000 6.602) 8.126 0.965 ( 9.831 0.000 -5.775) 11.401 0.989 ( -0.475 0.000 2.757) 2.797 1.007 ( -4.759 0.000 8.055) 9.356 1.060 ( 1.435 0.000 1.186) 1.861 1.083 ( -0.536 0.000 -1.876) 1.951 1.147 ( -5.918 0.000 -6.067) 8.475 1.366 ( 7.130 0.000 4.157) 8.253 1.403 ( 1.824 0.000 3.469) 3.919 1.440 ( -1.065 0.000 -0.311) 1.109 1.465 ( 5.102 0.000 -4.939) 7.101 1.516 ( -5.869 0.000 1.918) 6.175 1.583 ( -5.058 0.000 -4.094) 6.508 1.652 ( 0.238 0.000 1.247) 1.269 1.674 ( -1.271 0.000 -0.926) 1.573 1.867 ( 15.391 0.000 1.440) 15.458 1.869 ( 0.844 0.000 2.363) 2.509 1.888 ( 15.890 0.000 -0.771) 15.909 1.893 ( 0.024 0.000 -0.133) 0.135 2.055 ( -2.234 0.000 2.794) 3.578 2.095 ( -4.802 0.000 -0.862) 4.879 2.180 ( -0.457 0.000 -0.983) 1.084 2.198 ( -2.192 0.000 -2.287) 3.168 2.205 ( -14.401 0.000 1.135) 14.446 2.216 ( -12.276 0.000 -0.133) 12.277 2.299 ( -0.264 0.000 4.389) 4.397 2.321 ( -0.269 0.000 3.946) 3.955 2.408 ( 0.142 0.000 -0.842) 0.854 2.413 ( 0.139 0.000 -0.757) 0.770 2.415 ( -0.494 0.000 -1.492) 1.571 2.432 ( -1.303 0.000 -0.316) 1.341 2.590 ( -0.465 0.000 2.274) 2.321 2.613 ( -2.656 0.000 3.480) 4.377 2.675 ( 0.763 0.000 -2.857) 2.957 2.706 ( -2.354 0.000 -3.471) 4.194 2.850 ( -0.253 0.000 -1.917) 1.933 2.857 ( -0.813 0.000 -2.117) 2.267 3.130 ( -0.198 0.000 0.122) 0.233 3.142 ( -1.325 0.000 -1.064) 1.699 4.811 ( 2.322 0.000 1.106) 2.572 4.822 ( 1.785 0.000 0.826) 1.967 4.827 ( 1.879 0.000 -0.085) 1.881 4.837 ( 1.168 0.000 -0.263) 1.197 5.136 ( 3.386 0.000 1.835) 3.851 5.156 ( 3.296 0.000 -0.309) 3.311 5.235 ( -4.081 0.000 1.329) 4.291 5.256 ( -4.271 0.000 -0.820) 4.349 5.342 ( 1.832 0.000 -0.219) 1.845 5.356 ( 0.651 0.000 -1.572) 1.701 5.522 ( 1.724 0.000 0.779) 1.892 5.525 ( 1.384 0.000 0.487) 1.467 5.778 ( 6.946 0.000 1.065) 7.028 5.807 ( 6.149 0.000 -1.606) 6.355 5.931 ( -7.240 0.000 0.661) 7.270 5.955 ( -7.363 0.000 -1.487) 7.511 6.005 ( 5.037 0.000 0.567) 5.069 6.029 ( 5.238 0.000 -1.687) 5.503 6.113 ( -3.876 0.000 1.643) 4.210 6.148 ( -4.714 0.000 -1.539) 4.959 6.498 ( 1.723 0.000 0.983) 1.983 6.524 ( 2.133 0.000 -1.362) 2.531 6.532 ( -1.506 0.000 1.503) 2.127 6.569 ( -2.048 0.000 -1.868) 2.772 6.576 ( 1.798 0.000 0.695) 1.928 6.608 ( -0.915 0.000 -2.392) 2.561 6.743 ( -0.075 0.000 1.786) 1.787 6.768 ( -2.196 0.000 -0.826) 2.346 7.323 ( 2.505 0.000 1.540) 2.941 7.354 ( 1.400 0.000 -1.599) 2.125 7.382 ( -1.895 0.000 1.218) 2.253 7.402 ( -1.932 0.000 -0.782) 2.084 ======================= Grid point 112 (41/48) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 1.062 6.446) 6.533 0.590 ( 0.000 -1.963 4.148) 4.589 0.641 ( 0.000 1.229 -4.117) 4.297 0.682 ( 0.000 0.856 -4.137) 4.224 0.970 ( 0.000 -1.486 7.655) 7.798 1.024 ( 0.000 -2.110 7.541) 7.831 1.078 ( 0.000 2.272 4.416) 4.966 1.127 ( 0.000 -0.344 -1.135) 1.186 1.133 ( 0.000 2.290 -4.106) 4.701 1.221 ( 0.000 -0.740 -6.162) 6.206 1.390 ( 0.000 0.674 2.206) 2.306 1.393 ( 0.000 2.723 3.654) 4.558 1.472 ( 0.000 -0.768 1.463) 1.652 1.482 ( 0.000 -2.845 -2.513) 3.796 1.561 ( 0.000 0.188 -1.477) 1.489 1.566 ( 0.000 0.072 -1.888) 1.890 1.750 ( 0.000 2.830 1.441) 3.176 1.766 ( 0.000 2.124 1.109) 2.396 2.132 ( 0.000 2.770 1.996) 3.415 2.171 ( 0.000 2.378 -2.177) 3.224 2.183 ( 0.000 0.968 2.380) 2.569 2.207 ( 0.000 0.162 0.473) 0.500 2.256 ( 0.000 0.723 1.009) 1.241 2.258 ( 0.000 -0.077 0.605) 0.610 2.320 ( 0.000 -1.291 2.617) 2.918 2.358 ( 0.000 -2.202 0.661) 2.299 2.371 ( 0.000 -1.472 -2.805) 3.168 2.405 ( 0.000 -0.555 -0.214) 0.594 2.406 ( 0.000 -2.597 -3.015) 3.979 2.414 ( 0.000 0.364 -0.685) 0.776 2.469 ( 0.000 0.169 0.154) 0.228 2.484 ( 0.000 -0.131 -1.280) 1.286 2.722 ( 0.000 2.263 -0.630) 2.349 2.731 ( 0.000 2.392 -1.772) 2.977 2.886 ( 0.000 0.667 -0.004) 0.667 2.887 ( 0.000 0.890 0.337) 0.952 2.970 ( 0.000 -1.894 -0.006) 1.894 2.978 ( 0.000 -2.280 -0.519) 2.339 3.339 ( 0.000 -0.668 0.589) 0.891 3.344 ( 0.000 -0.881 0.295) 0.929 4.532 ( 0.000 0.213 0.249) 0.328 4.539 ( 0.000 -0.071 -0.536) 0.541 4.727 ( 0.000 0.356 1.123) 1.178 4.741 ( 0.000 -0.149 -0.246) 0.287 5.112 ( 0.000 0.040 1.265) 1.265 5.122 ( 0.000 -0.288 0.196) 0.349 5.194 ( 0.000 1.079 -0.388) 1.147 5.195 ( 0.000 0.676 -0.369) 0.770 5.255 ( 0.000 -0.831 0.129) 0.841 5.282 ( 0.000 -1.505 -2.610) 3.013 5.343 ( 0.000 1.028 1.388) 1.727 5.363 ( 0.000 0.490 -0.258) 0.554 5.643 ( 0.000 0.117 2.199) 2.202 5.691 ( 0.000 -1.530 -2.400) 2.846 5.809 ( 0.000 0.131 0.194) 0.234 5.812 ( 0.000 0.027 -0.124) 0.127 6.207 ( 0.000 -0.425 1.775) 1.826 6.225 ( 0.000 -1.228 1.039) 1.608 6.284 ( 0.000 0.742 -2.471) 2.580 6.299 ( 0.000 -0.046 -2.902) 2.902 6.406 ( 0.000 0.058 0.230) 0.237 6.411 ( 0.000 -0.132 -0.342) 0.366 6.536 ( 0.000 1.148 3.646) 3.822 6.579 ( 0.000 -0.449 2.780) 2.816 6.613 ( 0.000 0.730 -3.490) 3.565 6.642 ( 0.000 -0.368 -3.187) 3.208 6.831 ( 0.000 0.646 1.877) 1.985 6.873 ( 0.000 -0.829 -2.123) 2.279 7.234 ( 0.000 0.586 2.328) 2.400 7.273 ( 0.000 -0.837 -1.465) 1.687 7.471 ( 0.000 0.014 0.045) 0.047 7.475 ( 0.000 -0.138 -0.233) 0.270 ======================= Grid point 113 (42/48) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 6.786 1.390 5.583) 8.897 0.664 ( 5.013 1.215 2.383) 5.682 0.704 ( 3.574 2.227 -2.017) 4.670 0.736 ( 8.495 -0.112 -3.272) 9.104 0.987 ( 1.331 -1.986 7.268) 7.651 1.037 ( 0.404 -2.784 8.828) 9.265 1.103 ( 3.048 1.486 2.389) 4.148 1.127 ( -0.195 1.304 -3.064) 3.336 1.163 ( 3.012 -1.743 -2.868) 4.509 1.220 ( 0.169 -0.540 -5.888) 5.915 1.403 ( 1.134 2.513 3.280) 4.285 1.417 ( 1.596 1.075 2.414) 3.087 1.498 ( 2.810 -0.850 0.854) 3.057 1.518 ( 3.606 -1.867 -1.925) 4.494 1.557 ( 0.194 0.358 -1.217) 1.284 1.562 ( 0.236 0.204 -1.599) 1.629 1.726 ( -1.977 2.794 1.889) 3.909 1.755 ( -1.423 1.522 -0.244) 2.098 2.095 ( -4.002 1.888 2.173) 4.930 2.123 ( -5.337 0.974 -0.483) 5.447 2.199 ( 0.748 0.792 3.341) 3.514 2.209 ( -2.546 0.728 1.768) 3.184 2.222 ( -1.473 1.954 -0.677) 2.539 2.247 ( 2.227 1.004 0.768) 2.561 2.300 ( -2.089 -1.138 1.954) 3.079 2.330 ( -2.411 -1.773 -1.288) 3.258 2.374 ( -0.151 -2.237 -0.847) 2.397 2.396 ( -0.700 -0.437 0.132) 0.835 2.399 ( -0.427 -2.454 -2.199) 3.322 2.416 ( 0.049 0.148 -0.830) 0.844 2.473 ( 0.255 0.473 -0.160) 0.560 2.493 ( 0.730 -0.116 -2.014) 2.145 2.708 ( -1.502 2.201 -0.679) 2.750 2.716 ( -1.240 1.883 -1.411) 2.660 2.861 ( -2.134 0.851 0.270) 2.313 2.869 ( -2.799 0.191 -0.499) 2.849 2.939 ( -2.555 -0.825 0.595) 2.750 2.958 ( -2.058 -1.545 -1.251) 2.861 3.252 ( -6.975 -1.012 1.014) 7.121 3.269 ( -6.187 -1.570 -0.506) 6.403 4.590 ( 5.243 0.229 0.314) 5.258 4.598 ( 5.254 -0.064 -0.490) 5.277 4.742 ( 1.426 0.341 1.152) 1.864 4.757 ( 1.403 -0.164 -0.207) 1.428 5.107 ( -0.391 0.115 1.294) 1.357 5.117 ( -0.373 -0.248 0.216) 0.498 5.239 ( 3.081 1.256 -0.173) 3.332 5.251 ( 4.143 0.738 -1.076) 4.344 5.293 ( 3.938 -1.045 0.280) 4.084 5.310 ( 2.681 -1.627 -1.430) 3.447 5.349 ( 0.716 1.059 1.123) 1.702 5.368 ( 0.600 0.579 -0.471) 0.958 5.645 ( 0.328 0.014 2.106) 2.131 5.691 ( 0.112 -1.566 -2.272) 2.762 5.833 ( 2.354 0.188 0.207) 2.371 5.838 ( 2.525 -0.003 -0.252) 2.537 6.167 ( -3.553 -0.252 1.318) 3.798 6.190 ( -3.410 -1.374 -0.272) 3.686 6.253 ( -2.269 1.117 -0.533) 2.585 6.281 ( -1.714 -0.229 -2.421) 2.975 6.425 ( 1.583 0.146 0.173) 1.599 6.436 ( 1.847 -0.258 -0.831) 2.041 6.540 ( 0.333 1.045 3.366) 3.540 6.575 ( -0.457 -0.283 2.554) 2.610 6.614 ( 0.162 0.605 -3.464) 3.520 6.633 ( -0.772 -0.203 -2.881) 2.989 6.813 ( -1.629 0.538 1.991) 2.628 6.855 ( -1.657 -0.899 -2.016) 2.760 7.246 ( 1.128 0.579 2.187) 2.528 7.283 ( 0.952 -0.782 -1.418) 1.879 7.460 ( -1.085 0.042 0.124) 1.092 7.465 ( -0.959 -0.155 -0.279) 1.011 ======================= Grid point 114 (43/48) ======================= q-point: ( 0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 6.276 2.480 1.749) 6.972 0.782 ( 7.137 1.395 -1.838) 7.501 0.837 ( 7.454 3.638 6.609) 10.606 0.932 ( 7.729 0.795 -2.120) 8.053 1.009 ( 0.573 -1.912 6.103) 6.421 1.043 ( 0.679 -2.317 7.803) 8.168 1.111 ( -1.287 1.002 -3.444) 3.811 1.176 ( 0.837 -2.242 -1.541) 2.846 1.220 ( 4.301 -1.064 -1.276) 4.611 1.281 ( 5.441 -2.905 -3.429) 7.057 1.433 ( 1.746 2.557 2.224) 3.812 1.444 ( 1.155 0.903 1.645) 2.204 1.576 ( 3.800 -0.780 0.186) 3.884 1.592 ( 3.074 -1.174 -2.110) 3.909 1.616 ( 3.635 0.623 -0.268) 3.698 1.634 ( 6.187 0.172 -1.443) 6.356 1.681 ( 0.399 2.559 2.111) 3.341 1.709 ( -1.772 1.146 -0.473) 2.163 1.965 ( -7.364 0.504 1.956) 7.636 1.971 ( -7.307 0.210 1.409) 7.444 2.135 ( -3.761 1.024 2.554) 4.660 2.176 ( -3.444 0.328 -0.846) 3.562 2.220 ( -1.069 0.903 1.361) 1.952 2.258 ( -1.715 0.578 -0.485) 1.874 2.274 ( -0.724 1.359 1.905) 2.449 2.311 ( 2.976 1.193 2.650) 4.160 2.365 ( -0.769 -2.778 -0.815) 2.996 2.374 ( -1.747 -1.021 0.582) 2.106 2.387 ( -0.817 -2.431 -1.178) 2.822 2.406 ( -1.742 -0.053 -0.519) 1.818 2.470 ( -0.878 1.478 -0.623) 1.828 2.496 ( -1.481 0.439 -1.801) 2.372 2.654 ( -3.521 1.649 0.599) 3.933 2.686 ( -1.493 0.975 -2.041) 2.710 2.732 ( -8.987 -0.399 1.588) 9.135 2.778 ( -5.739 -0.992 -2.613) 6.383 2.899 ( -1.244 1.596 -0.826) 2.186 2.905 ( -1.921 1.898 -1.329) 3.010 3.125 ( -3.908 -2.723 1.143) 4.898 3.151 ( -4.153 -3.207 -1.429) 5.438 4.722 ( 6.432 0.299 0.447) 6.454 4.730 ( 6.416 0.011 -0.309) 6.424 4.782 ( 2.224 0.246 1.138) 2.510 4.795 ( 2.110 -0.211 -0.114) 2.124 5.102 ( 0.274 0.197 1.385) 1.425 5.114 ( 0.407 -0.248 0.132) 0.494 5.283 ( 0.272 -0.149 0.277) 0.416 5.300 ( -0.396 -0.778 -1.116) 1.416 5.335 ( 0.993 2.060 0.913) 2.462 5.358 ( 1.063 1.905 -1.193) 2.487 5.425 ( 5.739 -0.982 0.790) 5.876 5.438 ( 5.085 -1.253 -0.490) 5.260 5.670 ( 2.734 -0.076 1.560) 3.149 5.707 ( 1.973 -1.425 -1.887) 3.080 5.906 ( 4.474 0.304 0.248) 4.491 5.916 ( 4.788 -0.108 -0.668) 4.836 6.068 ( -5.727 -0.024 0.772) 5.779 6.089 ( -5.997 -0.884 -1.033) 6.149 6.198 ( -3.147 0.897 0.788) 3.366 6.228 ( -3.297 -0.372 -1.799) 3.775 6.463 ( 1.843 0.219 0.185) 1.866 6.476 ( 1.958 -0.342 -1.037) 2.242 6.551 ( 0.630 0.485 2.210) 2.349 6.559 ( -1.056 -0.025 1.778) 2.068 6.613 ( -0.882 0.568 -1.938) 2.204 6.623 ( 0.653 0.691 -3.163) 3.302 6.768 ( -2.475 0.080 2.268) 3.358 6.808 ( -2.692 -1.117 -1.680) 3.364 7.280 ( 2.040 0.528 1.775) 2.755 7.312 ( 1.703 -0.635 -1.274) 2.219 7.428 ( -1.924 0.115 0.383) 1.965 7.437 ( -1.671 -0.226 -0.418) 1.737 ======================= Grid point 115 (44/48) ======================= q-point: ( 0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 6.019 1.622 3.535) 7.166 0.942 ( 1.961 0.709 3.733) 4.276 0.951 ( 6.797 -0.758 -0.387) 6.850 0.998 ( -0.028 -0.645 3.912) 3.965 1.025 ( 1.210 1.969 2.856) 3.674 1.064 ( -0.793 0.682 1.848) 2.123 1.084 ( 0.471 0.046 -0.572) 0.742 1.142 ( -3.373 -0.671 -3.656) 5.019 1.352 ( 6.886 -0.410 0.560) 6.921 1.388 ( 4.635 -1.449 -1.437) 5.064 1.455 ( -0.379 1.694 2.031) 2.672 1.488 ( 3.256 1.676 -0.604) 3.711 1.532 ( -6.640 0.722 0.703) 6.716 1.569 ( -4.412 -1.033 -3.068) 5.472 1.626 ( -0.545 -2.002 1.258) 2.426 1.647 ( -2.186 -2.240 -0.728) 3.213 1.863 ( 8.329 0.286 1.576) 8.482 1.874 ( 9.935 0.384 0.474) 9.953 1.913 ( 7.214 1.799 0.998) 7.501 1.921 ( 6.834 1.763 0.159) 7.059 2.042 ( -4.060 -1.070 2.504) 4.889 2.070 ( -5.583 -2.015 -0.127) 5.937 2.192 ( -5.827 0.967 -0.555) 5.932 2.201 ( -7.691 0.632 -1.078) 7.792 2.224 ( -6.649 1.561 0.137) 6.831 2.236 ( -6.820 1.843 -1.167) 7.161 2.330 ( 0.011 2.315 4.388) 4.961 2.345 ( -0.189 0.761 3.927) 4.004 2.371 ( 0.440 -1.856 -0.589) 1.996 2.377 ( -0.141 -2.089 -1.336) 2.484 2.438 ( -0.814 0.610 1.918) 2.171 2.450 ( -1.221 0.783 1.112) 1.828 2.601 ( -0.980 1.173 -0.222) 1.545 2.612 ( -1.893 0.279 1.052) 2.183 2.668 ( 0.086 -0.716 -3.375) 3.451 2.692 ( -2.268 -1.297 -3.874) 4.672 2.883 ( -0.250 3.100 -1.431) 3.424 2.885 ( -0.446 2.739 -1.317) 3.071 3.085 ( -0.466 -3.963 0.021) 3.991 3.096 ( -1.477 -4.087 -1.093) 4.481 4.816 ( 2.203 0.448 0.896) 2.421 4.824 ( 1.795 0.168 0.699) 1.933 4.827 ( 1.909 0.036 0.060) 1.911 4.835 ( 1.300 -0.229 -0.057) 1.322 5.138 ( 3.388 0.242 1.454) 3.695 5.153 ( 3.391 -0.282 -0.098) 3.404 5.232 ( -4.030 -0.195 1.045) 4.168 5.246 ( -4.027 -0.734 -0.447) 4.118 5.372 ( 1.707 2.502 -0.119) 3.031 5.384 ( 0.676 2.396 -1.309) 2.812 5.500 ( 1.385 -2.057 0.621) 2.556 5.504 ( 1.086 -1.879 0.167) 2.177 5.776 ( 6.955 -0.023 0.585) 6.980 5.796 ( 6.402 -0.833 -1.228) 6.572 5.928 ( -6.924 -0.144 0.224) 6.929 5.944 ( -6.949 -0.794 -1.221) 7.100 6.014 ( 4.922 0.711 0.556) 5.004 6.031 ( 5.131 0.087 -0.971) 5.223 6.119 ( -4.275 0.564 0.962) 4.418 6.144 ( -4.713 -0.359 -1.191) 4.874 6.499 ( 1.662 0.186 0.482) 1.740 6.516 ( 1.819 -0.552 -0.967) 2.133 6.532 ( -1.431 0.098 0.871) 1.678 6.549 ( -1.084 -0.765 -0.636) 1.472 6.613 ( 1.137 2.280 0.049) 2.549 6.634 ( -0.146 2.009 -2.041) 2.868 6.728 ( -0.683 -1.277 1.607) 2.163 6.751 ( -2.401 -1.519 -0.831) 2.961 7.328 ( 2.461 0.436 1.160) 2.755 7.351 ( 1.895 -0.356 -1.112) 2.225 7.382 ( -2.226 0.125 0.884) 2.398 7.398 ( -2.036 -0.369 -0.581) 2.149 ======================= Grid point 119 (45/48) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 -1.542 4.496) 4.753 0.550 ( 0.000 1.542 4.496) 4.753 0.674 ( 0.000 -1.427 -4.732) 4.943 0.674 ( 0.000 1.427 -4.732) 4.943 0.971 ( 0.000 -1.838 10.864) 11.018 0.971 ( 0.000 1.838 10.864) 11.018 1.122 ( 0.000 -1.056 0.771) 1.308 1.122 ( 0.000 1.056 0.771) 1.308 1.186 ( 0.000 -2.236 -8.562) 8.849 1.186 ( 0.000 2.236 -8.562) 8.849 1.421 ( 0.000 -2.332 2.533) 3.443 1.421 ( 0.000 2.332 2.533) 3.443 1.445 ( 0.000 -1.799 2.228) 2.863 1.445 ( 0.000 1.799 2.228) 2.863 1.565 ( 0.000 -0.161 -1.737) 1.744 1.565 ( 0.000 0.161 -1.737) 1.744 1.790 ( 0.000 -0.386 1.260) 1.318 1.790 ( 0.000 0.386 1.260) 1.318 2.188 ( 0.000 -1.245 1.047) 1.627 2.188 ( 0.000 1.245 1.047) 1.627 2.203 ( 0.000 -1.073 2.226) 2.471 2.203 ( 0.000 1.073 2.226) 2.471 2.276 ( 0.000 -1.842 1.949) 2.682 2.276 ( 0.000 1.842 1.949) 2.682 2.312 ( 0.000 -4.298 -1.932) 4.712 2.312 ( 0.000 4.298 -1.932) 4.712 2.342 ( 0.000 -0.950 -2.603) 2.770 2.342 ( 0.000 0.950 -2.603) 2.770 2.413 ( 0.000 -0.328 -0.576) 0.663 2.413 ( 0.000 0.328 -0.576) 0.663 2.477 ( 0.000 -0.474 -0.387) 0.612 2.477 ( 0.000 0.474 -0.387) 0.612 2.762 ( 0.000 -0.430 -1.276) 1.347 2.762 ( 0.000 0.430 -1.276) 1.347 2.912 ( 0.000 -0.399 -0.786) 0.881 2.912 ( 0.000 0.399 -0.786) 0.881 2.928 ( 0.000 -0.401 0.806) 0.900 2.928 ( 0.000 0.401 0.806) 0.900 3.331 ( 0.000 -0.131 0.256) 0.288 3.331 ( 0.000 0.131 0.256) 0.288 4.536 ( 0.000 -0.200 -0.135) 0.241 4.536 ( 0.000 0.200 -0.135) 0.241 4.735 ( 0.000 -0.391 0.333) 0.514 4.735 ( 0.000 0.391 0.333) 0.514 5.115 ( 0.000 -0.282 0.755) 0.806 5.115 ( 0.000 0.282 0.755) 0.806 5.208 ( 0.000 -0.197 -0.072) 0.210 5.208 ( 0.000 0.197 -0.072) 0.210 5.252 ( 0.000 -0.933 -1.616) 1.866 5.252 ( 0.000 0.933 -1.616) 1.866 5.362 ( 0.000 -0.585 1.028) 1.183 5.362 ( 0.000 0.585 1.028) 1.183 5.657 ( 0.000 -1.318 -0.589) 1.444 5.657 ( 0.000 1.318 -0.589) 1.444 5.811 ( 0.000 -0.084 0.043) 0.094 5.811 ( 0.000 0.084 0.043) 0.094 6.205 ( 0.000 -0.436 1.413) 1.479 6.205 ( 0.000 0.436 1.413) 1.479 6.295 ( 0.000 -0.344 -2.524) 2.548 6.295 ( 0.000 0.344 -2.524) 2.548 6.408 ( 0.000 -0.135 -0.058) 0.147 6.408 ( 0.000 0.135 -0.058) 0.147 6.562 ( 0.000 -1.118 3.282) 3.467 6.562 ( 0.000 1.118 3.282) 3.467 6.630 ( 0.000 -0.745 -3.051) 3.141 6.630 ( 0.000 0.745 -3.051) 3.141 6.851 ( 0.000 -1.110 -0.382) 1.174 6.851 ( 0.000 1.110 -0.382) 1.174 7.252 ( 0.000 -1.024 0.366) 1.088 7.252 ( 0.000 1.024 0.366) 1.088 7.472 ( 0.000 -0.106 -0.118) 0.158 7.472 ( 0.000 0.106 -0.118) 0.158 ======================= Grid point 121 (46/48) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 7.425 -2.116 3.790) 8.601 0.654 ( 7.425 2.116 3.790) 8.601 0.733 ( 6.401 -0.722 -3.415) 7.291 0.733 ( 6.401 0.722 -3.415) 7.291 0.982 ( 0.783 -1.704 10.307) 10.477 0.982 ( 0.783 1.704 10.307) 10.477 1.125 ( 0.609 -1.014 0.146) 1.192 1.125 ( 0.609 1.014 0.146) 1.192 1.185 ( 0.078 -2.570 -8.462) 8.844 1.185 ( 0.078 2.570 -8.462) 8.844 1.438 ( 0.902 -0.644 5.446) 5.558 1.438 ( 0.902 0.644 5.446) 5.558 1.486 ( 4.366 -0.735 -0.896) 4.518 1.486 ( 4.366 0.735 -0.896) 4.518 1.562 ( 0.278 -0.142 -1.432) 1.465 1.562 ( 0.278 0.142 -1.432) 1.465 1.768 ( -1.994 -0.698 0.856) 2.280 1.768 ( -1.994 0.698 0.856) 2.280 2.128 ( -5.836 -0.742 1.359) 6.038 2.128 ( -5.836 0.742 1.359) 6.038 2.218 ( -0.119 -0.660 3.933) 3.989 2.218 ( -0.119 0.660 3.933) 3.989 2.266 ( 0.429 -1.641 1.578) 2.316 2.266 ( 0.429 1.641 1.578) 2.316 2.295 ( -1.194 -3.488 -2.802) 4.631 2.295 ( -1.194 3.488 -2.802) 4.631 2.335 ( -0.804 -0.372 -1.660) 1.882 2.335 ( -0.804 0.372 -1.660) 1.882 2.408 ( -0.387 -0.650 -0.677) 1.016 2.408 ( -0.387 0.650 -0.677) 1.016 2.485 ( 0.714 -0.550 -0.920) 1.288 2.485 ( 0.714 0.550 -0.920) 1.288 2.743 ( -1.749 -0.213 -1.216) 2.141 2.743 ( -1.749 0.213 -1.216) 2.141 2.875 ( -3.849 -0.176 -0.749) 3.925 2.875 ( -3.849 0.176 -0.749) 3.925 2.928 ( 0.063 -0.607 0.556) 0.826 2.928 ( 0.063 0.607 0.556) 0.826 3.243 ( -7.405 -0.483 -0.018) 7.421 3.243 ( -7.405 0.483 -0.018) 7.421 4.595 ( 5.266 -0.206 -0.081) 5.271 4.595 ( 5.266 0.206 -0.081) 5.271 4.751 ( 1.393 -0.385 0.391) 1.497 4.751 ( 1.393 0.385 0.391) 1.497 5.111 ( -0.341 -0.268 0.783) 0.895 5.111 ( -0.341 0.268 0.783) 0.895 5.269 ( 1.803 -0.210 -1.185) 2.168 5.269 ( 1.803 0.210 -1.185) 2.168 5.275 ( 5.319 -0.821 -0.188) 5.385 5.275 ( 5.319 0.821 -0.188) 5.385 5.368 ( 0.483 -0.571 0.848) 1.131 5.368 ( 0.483 0.571 0.848) 1.131 5.658 ( 0.154 -1.261 -0.547) 1.383 5.658 ( 0.154 1.261 -0.547) 1.383 5.836 ( 2.453 -0.119 -0.028) 2.456 5.836 ( 2.453 0.119 -0.028) 2.456 6.169 ( -3.368 -0.544 0.739) 3.491 6.169 ( -3.368 0.544 0.739) 3.491 6.272 ( -2.007 -0.635 -1.477) 2.572 6.272 ( -2.007 0.635 -1.477) 2.572 6.430 ( 1.716 -0.267 -0.422) 1.787 6.430 ( 1.716 0.267 -0.422) 1.787 6.562 ( -0.027 -0.919 3.018) 3.155 6.562 ( -0.027 0.919 3.018) 3.155 6.626 ( -0.261 -0.477 -2.824) 2.876 6.626 ( -0.261 0.477 -2.824) 2.876 6.832 ( -1.763 -1.115 -0.319) 2.110 6.832 ( -1.763 1.115 -0.319) 2.110 7.263 ( 1.067 -0.976 0.337) 1.484 7.263 ( 1.067 0.976 0.337) 1.484 7.461 ( -1.017 -0.140 -0.105) 1.032 7.461 ( -1.017 0.140 -0.105) 1.032 ======================= Grid point 123 (47/48) ======================= q-point: ( 0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 6.564 -1.117 -0.416) 6.672 0.793 ( 6.564 1.117 -0.416) 6.672 0.913 ( 7.640 -2.812 3.324) 8.793 0.913 ( 7.640 2.812 3.324) 8.793 0.998 ( 1.166 -1.146 8.164) 8.326 0.998 ( 1.166 1.146 8.164) 8.326 1.132 ( -0.605 -1.672 -4.732) 5.054 1.132 ( -0.605 1.672 -4.732) 5.054 1.227 ( 4.748 -2.128 -3.873) 6.486 1.227 ( 4.748 2.128 -3.873) 6.486 1.462 ( 1.543 -0.328 4.386) 4.661 1.462 ( 1.543 0.328 4.386) 4.661 1.572 ( 2.560 -0.518 -1.548) 3.036 1.572 ( 2.560 0.518 -1.548) 3.036 1.629 ( 5.214 -0.557 -1.211) 5.381 1.629 ( 5.214 0.557 -1.211) 5.381 1.718 ( -1.024 -0.624 1.078) 1.613 1.718 ( -1.024 0.624 1.078) 1.613 1.973 ( -7.312 -0.152 1.806) 7.534 1.973 ( -7.312 0.152 1.806) 7.534 2.158 ( -4.907 -1.178 2.312) 5.551 2.158 ( -4.907 1.178 2.312) 5.551 2.276 ( -0.338 -1.886 -1.665) 2.538 2.276 ( -0.338 1.886 -1.665) 2.538 2.301 ( -0.812 -0.363 1.344) 1.611 2.301 ( -0.812 0.363 1.344) 1.611 2.321 ( 1.858 -0.478 1.598) 2.497 2.321 ( 1.858 0.478 1.598) 2.497 2.391 ( -1.791 -1.162 -0.622) 2.224 2.391 ( -1.791 1.162 -0.622) 2.224 2.495 ( -0.508 -0.629 -1.217) 1.461 2.495 ( -0.508 0.629 -1.217) 1.461 2.689 ( -3.795 -1.200 -0.111) 3.981 2.689 ( -3.795 1.200 -0.111) 3.981 2.745 ( -7.178 -1.776 -2.166) 7.706 2.745 ( -7.178 1.776 -2.166) 7.706 2.934 ( 0.637 -0.464 -0.022) 0.788 2.934 ( 0.637 0.464 -0.022) 0.788 3.090 ( -5.889 -1.003 -0.665) 6.011 3.090 ( -5.889 1.003 -0.665) 6.011 4.728 ( 6.518 -0.199 0.060) 6.521 4.728 ( 6.518 0.199 0.060) 6.521 4.789 ( 2.085 -0.352 0.492) 2.171 4.789 ( 2.085 0.352 0.492) 2.171 5.108 ( 0.351 -0.297 0.758) 0.887 5.108 ( 0.351 0.297 0.758) 0.887 5.286 ( -0.614 -0.415 -0.428) 0.855 5.286 ( -0.614 0.415 -0.428) 0.855 5.381 ( 1.907 -1.595 0.600) 2.557 5.381 ( 1.907 1.595 0.600) 2.557 5.407 ( 4.886 -1.144 -0.411) 5.035 5.407 ( 4.886 1.144 -0.411) 5.035 5.679 ( 2.521 -0.976 -0.455) 2.741 5.679 ( 2.521 0.976 -0.455) 2.741 5.912 ( 4.597 -0.250 -0.250) 4.611 5.912 ( 4.597 0.250 -0.250) 4.611 6.073 ( -5.633 -0.503 0.140) 5.657 6.073 ( -5.633 0.503 0.140) 5.657 6.216 ( -3.315 -0.756 -0.579) 3.449 6.216 ( -3.315 0.756 -0.579) 3.449 6.469 ( 1.880 -0.346 -0.562) 1.992 6.469 ( 1.880 0.346 -0.562) 1.992 6.558 ( -0.558 -0.145 1.696) 1.791 6.558 ( -0.558 0.145 1.696) 1.791 6.627 ( 0.591 -0.454 -1.664) 1.824 6.627 ( 0.591 0.454 -1.664) 1.824 6.781 ( -2.961 -1.136 -0.175) 3.176 6.781 ( -2.961 1.136 -0.175) 3.176 7.295 ( 1.904 -0.832 0.254) 2.094 7.295 ( 1.904 0.832 0.254) 2.094 7.432 ( -1.804 -0.245 -0.061) 1.822 7.432 ( -1.804 0.245 -0.061) 1.822 ======================= Grid point 125 (48/48) ======================= q-point: ( 0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 4.623 -1.826 -0.138) 4.973 0.919 ( 4.623 1.826 -0.138) 4.973 0.971 ( -0.526 -1.428 4.271) 4.533 0.971 ( -0.526 1.428 4.271) 4.533 1.060 ( 3.414 -1.521 4.264) 5.670 1.060 ( 3.414 1.521 4.264) 5.670 1.111 ( -1.398 -2.166 -2.198) 3.388 1.111 ( -1.398 2.166 -2.198) 3.388 1.360 ( 7.384 -1.067 -2.555) 7.886 1.360 ( 7.384 1.067 -2.555) 7.886 1.497 ( -0.806 -2.100 2.702) 3.516 1.497 ( -0.806 2.100 2.702) 3.516 1.548 ( -2.953 -2.029 -2.118) 4.162 1.548 ( -2.953 2.029 -2.118) 4.162 1.604 ( -3.575 -1.012 0.457) 3.743 1.604 ( -3.575 1.012 0.457) 3.743 1.875 ( 9.763 -0.446 0.894) 9.814 1.875 ( 9.763 0.446 0.894) 9.814 1.942 ( 7.568 -0.298 1.011) 7.641 1.942 ( 7.568 0.298 1.011) 7.641 2.032 ( -6.785 -0.841 1.159) 6.934 2.032 ( -6.785 0.841 1.159) 6.934 2.207 ( -11.242 -0.265 -0.384) 11.252 2.207 ( -11.242 0.265 -0.384) 11.252 2.277 ( 0.485 -1.547 -0.934) 1.871 2.277 ( 0.485 1.547 -0.934) 1.871 2.303 ( -2.600 -1.321 -0.644) 2.987 2.303 ( -2.600 1.321 -0.644) 2.987 2.387 ( 2.551 -1.159 4.318) 5.147 2.387 ( 2.551 1.159 4.318) 5.147 2.443 ( -3.036 -0.981 3.627) 4.831 2.443 ( -3.036 0.981 3.627) 4.831 2.627 ( 0.029 -0.621 -2.629) 2.702 2.627 ( 0.029 0.621 -2.629) 2.702 2.658 ( -2.435 -1.174 -3.787) 4.652 2.658 ( -2.435 1.174 -3.787) 4.652 2.957 ( 1.588 -0.610 -0.579) 1.797 2.957 ( 1.588 0.610 -0.579) 1.797 3.003 ( -2.922 -0.937 -0.860) 3.186 3.003 ( -2.922 0.937 -0.860) 3.186 4.826 ( 2.205 -0.290 0.337) 2.249 4.826 ( 2.205 0.290 0.337) 2.249 4.828 ( 1.426 -0.262 0.470) 1.524 4.828 ( 1.426 0.262 0.470) 1.524 5.146 ( 3.485 -0.381 0.608) 3.558 5.146 ( 3.485 0.381 0.608) 3.558 5.233 ( -4.054 -0.369 0.336) 4.084 5.233 ( -4.054 0.369 0.336) 4.084 5.428 ( 2.278 -1.102 -0.198) 2.538 5.428 ( 2.278 1.102 -0.198) 2.538 5.458 ( -0.090 -0.902 -0.202) 0.929 5.458 ( -0.090 0.902 -0.202) 0.929 5.781 ( 6.811 -0.494 -0.366) 6.839 5.781 ( 6.811 0.494 -0.366) 6.839 5.930 ( -6.740 -0.385 -0.528) 6.771 5.930 ( -6.740 0.385 -0.528) 6.771 6.028 ( 5.029 -0.459 0.087) 5.050 6.028 ( 5.029 0.459 0.087) 5.050 6.133 ( -4.645 -0.638 -0.270) 4.697 6.133 ( -4.645 0.638 -0.270) 4.697 6.506 ( 1.650 -0.410 -0.404) 1.747 6.506 ( 1.650 0.410 -0.404) 1.747 6.537 ( -1.322 -0.403 0.150) 1.390 6.537 ( -1.322 0.403 0.150) 1.390 6.657 ( 2.249 -1.085 -0.382) 2.526 6.657 ( 2.249 1.085 -0.382) 2.526 6.715 ( -3.160 -1.164 -0.089) 3.369 6.715 ( -3.160 1.164 -0.089) 3.369 7.340 ( 2.319 -0.627 0.138) 2.406 7.340 ( 2.319 0.627 0.138) 2.406 7.388 ( -2.263 -0.417 0.024) 2.301 7.388 ( -2.263 0.417 0.024) 2.301 =================== 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 3/14112 10.0 29.412 13.823 28.533 0.000 0.000 -0.000 3/14112 20.0 11.207 4.380 10.022 0.000 0.000 0.000 3/14112 30.0 7.740 2.549 5.901 0.000 0.000 0.000 3/14112 40.0 6.188 1.822 4.230 0.000 0.000 0.000 3/14112 50.0 5.211 1.431 3.322 0.000 0.000 -0.000 3/14112 60.0 4.521 1.184 2.745 0.000 0.000 -0.000 3/14112 70.0 4.003 1.013 2.345 0.000 0.000 -0.000 3/14112 80.0 3.598 0.887 2.050 0.000 0.000 -0.000 3/14112 90.0 3.271 0.790 1.822 0.000 0.000 -0.000 3/14112 100.0 3.001 0.713 1.642 0.000 0.000 -0.000 3/14112 110.0 2.773 0.649 1.494 0.000 0.000 -0.000 3/14112 120.0 2.578 0.597 1.372 0.000 0.000 -0.000 3/14112 130.0 2.409 0.552 1.268 0.000 0.000 -0.000 3/14112 140.0 2.260 0.514 1.179 0.000 0.000 -0.000 3/14112 150.0 2.129 0.481 1.102 0.000 0.000 -0.000 3/14112 160.0 2.013 0.451 1.035 0.000 0.000 -0.000 3/14112 170.0 1.908 0.426 0.975 0.000 0.000 -0.000 3/14112 180.0 1.814 0.403 0.922 0.000 0.000 -0.000 3/14112 190.0 1.728 0.382 0.875 0.000 0.000 -0.000 3/14112 200.0 1.651 0.364 0.832 0.000 0.000 -0.000 3/14112 210.0 1.579 0.347 0.793 0.000 0.000 -0.000 3/14112 220.0 1.514 0.331 0.758 0.000 0.000 -0.000 3/14112 230.0 1.454 0.317 0.725 0.000 0.000 -0.000 3/14112 240.0 1.398 0.304 0.696 0.000 0.000 -0.000 3/14112 250.0 1.347 0.292 0.668 0.000 0.000 -0.000 3/14112 260.0 1.299 0.282 0.643 0.000 0.000 -0.000 3/14112 270.0 1.255 0.271 0.620 0.000 0.000 -0.000 3/14112 280.0 1.213 0.262 0.598 0.000 0.000 -0.000 3/14112 290.0 1.174 0.253 0.578 0.000 0.000 -0.000 3/14112 300.0 1.138 0.245 0.559 0.000 0.000 -0.000 3/14112 310.0 1.103 0.237 0.541 0.000 0.000 -0.000 3/14112 320.0 1.071 0.230 0.524 0.000 0.000 -0.000 3/14112 330.0 1.040 0.223 0.509 0.000 0.000 -0.000 3/14112 340.0 1.012 0.216 0.494 0.000 0.000 -0.000 3/14112 350.0 0.984 0.210 0.480 0.000 0.000 -0.000 3/14112 360.0 0.958 0.205 0.467 0.000 0.000 -0.000 3/14112 370.0 0.934 0.199 0.455 0.000 0.000 -0.000 3/14112 380.0 0.911 0.194 0.443 0.000 0.000 -0.000 3/14112 390.0 0.888 0.189 0.432 0.000 0.000 -0.000 3/14112 400.0 0.867 0.185 0.421 0.000 0.000 -0.000 3/14112 410.0 0.847 0.180 0.411 0.000 0.000 -0.000 3/14112 420.0 0.828 0.176 0.401 0.000 0.000 -0.000 3/14112 430.0 0.810 0.172 0.392 0.000 0.000 -0.000 3/14112 440.0 0.792 0.168 0.383 0.000 0.000 -0.000 3/14112 450.0 0.775 0.164 0.375 0.000 0.000 -0.000 3/14112 460.0 0.759 0.161 0.367 0.000 0.000 -0.000 3/14112 470.0 0.744 0.157 0.359 0.000 0.000 -0.000 3/14112 480.0 0.729 0.154 0.352 0.000 0.000 -0.000 3/14112 490.0 0.714 0.151 0.345 0.000 0.000 -0.000 3/14112 500.0 0.701 0.148 0.338 0.000 0.000 -0.000 3/14112 510.0 0.687 0.145 0.331 0.000 0.000 -0.000 3/14112 520.0 0.675 0.143 0.325 0.000 0.000 -0.000 3/14112 530.0 0.663 0.140 0.319 0.000 0.000 -0.000 3/14112 540.0 0.651 0.137 0.313 0.000 0.000 -0.000 3/14112 550.0 0.639 0.135 0.307 0.000 0.000 -0.000 3/14112 560.0 0.628 0.132 0.302 0.000 0.000 -0.000 3/14112 570.0 0.618 0.130 0.297 0.000 0.000 -0.000 3/14112 580.0 0.607 0.128 0.292 0.000 0.000 -0.000 3/14112 590.0 0.597 0.126 0.287 0.000 0.000 -0.000 3/14112 600.0 0.588 0.124 0.282 0.000 0.000 -0.000 3/14112 610.0 0.578 0.122 0.277 0.000 0.000 -0.000 3/14112 620.0 0.569 0.120 0.273 0.000 0.000 -0.000 3/14112 630.0 0.561 0.118 0.269 0.000 0.000 -0.000 3/14112 640.0 0.552 0.116 0.265 0.000 0.000 -0.000 3/14112 650.0 0.544 0.114 0.260 0.000 0.000 -0.000 3/14112 660.0 0.536 0.113 0.257 0.000 0.000 -0.000 3/14112 670.0 0.528 0.111 0.253 0.000 0.000 -0.000 3/14112 680.0 0.521 0.109 0.249 0.000 0.000 -0.000 3/14112 690.0 0.513 0.108 0.246 0.000 0.000 -0.000 3/14112 700.0 0.506 0.106 0.242 0.000 0.000 -0.000 3/14112 710.0 0.499 0.105 0.239 0.000 0.000 -0.000 3/14112 720.0 0.492 0.103 0.235 0.000 0.000 -0.000 3/14112 730.0 0.486 0.102 0.232 0.000 0.000 -0.000 3/14112 740.0 0.479 0.101 0.229 0.000 0.000 -0.000 3/14112 750.0 0.473 0.099 0.226 0.000 0.000 -0.000 3/14112 760.0 0.467 0.098 0.223 0.000 0.000 -0.000 3/14112 770.0 0.461 0.097 0.220 0.000 0.000 -0.000 3/14112 780.0 0.456 0.095 0.217 0.000 0.000 -0.000 3/14112 790.0 0.450 0.094 0.215 0.000 0.000 -0.000 3/14112 800.0 0.444 0.093 0.212 0.000 0.000 -0.000 3/14112 810.0 0.439 0.092 0.209 0.000 0.000 -0.000 3/14112 820.0 0.434 0.091 0.207 0.000 0.000 -0.000 3/14112 830.0 0.429 0.090 0.204 0.000 0.000 -0.000 3/14112 840.0 0.424 0.089 0.202 0.000 0.000 -0.000 3/14112 850.0 0.419 0.088 0.200 0.000 0.000 -0.000 3/14112 860.0 0.414 0.087 0.197 0.000 0.000 -0.000 3/14112 870.0 0.409 0.086 0.195 0.000 0.000 -0.000 3/14112 880.0 0.405 0.085 0.193 0.000 0.000 -0.000 3/14112 890.0 0.400 0.084 0.191 0.000 0.000 -0.000 3/14112 900.0 0.396 0.083 0.189 0.000 0.000 -0.000 3/14112 910.0 0.392 0.082 0.187 0.000 0.000 -0.000 3/14112 920.0 0.388 0.081 0.185 0.000 0.000 -0.000 3/14112 930.0 0.384 0.080 0.183 0.000 0.000 -0.000 3/14112 940.0 0.380 0.079 0.181 0.000 0.000 -0.000 3/14112 950.0 0.376 0.078 0.179 0.000 0.000 -0.000 3/14112 960.0 0.372 0.078 0.177 0.000 0.000 -0.000 3/14112 970.0 0.368 0.077 0.175 0.000 0.000 -0.000 3/14112 980.0 0.364 0.076 0.173 0.000 0.000 -0.000 3/14112 990.0 0.361 0.075 0.172 0.000 0.000 -0.000 3/14112 1000.0 0.357 0.075 0.170 0.000 0.000 -0.000 3/14112 Thermal conductivity related properties were written into "kappa-m747.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:10:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|