----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:04:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.992845270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.416733400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.892233339999999 Atomic positions (fractional): *1 O 0.07227954538490 0.75000000000000 0.92093703629013 15.999 2 O 0.92772045461510 0.25000000000000 0.07906296370987 15.999 3 O 0.57227954538490 0.75000000000000 0.57906296370987 15.999 4 O 0.42772045461510 0.25000000000000 0.42093703629013 15.999 *5 O 0.98914208569200 0.75000000000000 0.28351676748581 15.999 6 O 0.01085791430800 0.25000000000000 0.71648323251419 15.999 7 O 0.48914208569200 0.75000000000000 0.21648323251419 15.999 8 O 0.51085791430800 0.25000000000000 0.78351676748581 15.999 *9 O 0.37114684571053 0.75000000000000 0.98180856515636 15.999 10 O 0.62885315428947 0.25000000000000 0.01819143484364 15.999 11 O 0.87114684571053 0.75000000000000 0.51819143484364 15.999 12 O 0.12885315428947 0.25000000000000 0.48180856515636 15.999 *13 O 0.21373846935453 0.25000000000000 0.17802932995017 15.999 14 O 0.78626153064547 0.75000000000000 0.82197067004983 15.999 15 O 0.71373846935453 0.25000000000000 0.32197067004983 15.999 16 O 0.28626153064547 0.75000000000000 0.67802932995017 15.999 *17 Sr 0.75070295448337 0.25000000000000 0.64946256309364 87.620 18 Sr 0.24929704551663 0.75000000000000 0.35053743690636 87.620 19 Sr 0.25070295448337 0.25000000000000 0.85053743690636 87.620 20 Sr 0.74929704551663 0.75000000000000 0.14946256309364 87.620 *21 Tb 0.07475433990486 0.75000000000000 0.61188603042589 158.925 22 Tb 0.92524566009514 0.25000000000000 0.38811396957410 158.925 23 Tb 0.57475433990486 0.75000000000000 0.88811396957411 158.925 24 Tb 0.42524566009514 0.25000000000000 0.11188603042589 158.925 *25 Tb 0.41839676034357 0.25000000000000 0.61087206729906 158.925 26 Tb 0.58160323965643 0.75000000000000 0.38912793270094 158.925 27 Tb 0.91839676034357 0.25000000000000 0.88912793270094 158.925 28 Tb 0.08160323965643 0.75000000000000 0.11087206729906 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.992845270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.416733400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.892233339999999 Atomic positions (fractional): *1 O 0.07227954538490 0.75000000000000 0.92093703629013 15.999 > 1 2 O 0.92772045461510 0.25000000000000 0.07906296370987 15.999 > 2 3 O 0.57227954538490 0.75000000000000 0.57906296370987 15.999 > 3 4 O 0.42772045461510 0.25000000000000 0.42093703629013 15.999 > 4 *5 O 0.98914208569200 0.75000000000000 0.28351676748581 15.999 > 5 6 O 0.01085791430800 0.25000000000000 0.71648323251419 15.999 > 6 7 O 0.48914208569200 0.75000000000000 0.21648323251419 15.999 > 7 8 O 0.51085791430800 0.25000000000000 0.78351676748581 15.999 > 8 *9 O 0.37114684571053 0.75000000000000 0.98180856515636 15.999 > 9 10 O 0.62885315428947 0.25000000000000 0.01819143484364 15.999 > 10 11 O 0.87114684571053 0.75000000000000 0.51819143484364 15.999 > 11 12 O 0.12885315428947 0.25000000000000 0.48180856515636 15.999 > 12 *13 O 0.21373846935453 0.25000000000000 0.17802932995017 15.999 > 13 14 O 0.78626153064547 0.75000000000000 0.82197067004983 15.999 > 14 15 O 0.71373846935453 0.25000000000000 0.32197067004983 15.999 > 15 16 O 0.28626153064547 0.75000000000000 0.67802932995017 15.999 > 16 *17 Sr 0.75070295448337 0.25000000000000 0.64946256309364 87.620 > 17 18 Sr 0.24929704551663 0.75000000000000 0.35053743690636 87.620 > 18 19 Sr 0.25070295448337 0.25000000000000 0.85053743690636 87.620 > 19 20 Sr 0.74929704551663 0.75000000000000 0.14946256309364 87.620 > 20 *21 Tb 0.07475433990486 0.75000000000000 0.61188603042589 158.925 > 21 22 Tb 0.92524566009514 0.25000000000000 0.38811396957410 158.925 > 22 23 Tb 0.57475433990486 0.75000000000000 0.88811396957411 158.925 > 23 24 Tb 0.42524566009514 0.25000000000000 0.11188603042589 158.925 > 24 *25 Tb 0.41839676034357 0.25000000000000 0.61087206729906 158.925 > 25 26 Tb 0.58160323965643 0.75000000000000 0.38912793270094 158.925 > 26 27 Tb 0.91839676034357 0.25000000000000 0.88912793270094 158.925 > 27 28 Tb 0.08160323965643 0.75000000000000 0.11087206729906 158.925 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.992845270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.250200200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.892233339999999 Atomic positions (fractional): *1 O 0.07227954538490 0.25000000000000 0.92093703629013 15.999 > 1 2 O 0.07227954538490 0.58333333333333 0.92093703629013 15.999 > 1 3 O 0.07227954538490 0.91666666666667 0.92093703629013 15.999 > 1 4 O 0.92772045461510 0.08333333333333 0.07906296370987 15.999 > 2 5 O 0.92772045461510 0.41666666666667 0.07906296370987 15.999 > 2 6 O 0.92772045461510 0.75000000000000 0.07906296370987 15.999 > 2 7 O 0.57227954538490 0.25000000000000 0.57906296370987 15.999 > 3 8 O 0.57227954538490 0.58333333333333 0.57906296370987 15.999 > 3 9 O 0.57227954538490 0.91666666666667 0.57906296370987 15.999 > 3 10 O 0.42772045461510 0.08333333333333 0.42093703629013 15.999 > 4 11 O 0.42772045461510 0.41666666666667 0.42093703629013 15.999 > 4 12 O 0.42772045461510 0.75000000000000 0.42093703629013 15.999 > 4 *13 O 0.98914208569200 0.25000000000000 0.28351676748581 15.999 > 5 14 O 0.98914208569200 0.58333333333333 0.28351676748581 15.999 > 5 15 O 0.98914208569200 0.91666666666667 0.28351676748581 15.999 > 5 16 O 0.01085791430800 0.08333333333333 0.71648323251419 15.999 > 6 17 O 0.01085791430800 0.41666666666667 0.71648323251419 15.999 > 6 18 O 0.01085791430800 0.75000000000000 0.71648323251419 15.999 > 6 19 O 0.48914208569200 0.25000000000000 0.21648323251419 15.999 > 7 20 O 0.48914208569200 0.58333333333333 0.21648323251419 15.999 > 7 21 O 0.48914208569200 0.91666666666667 0.21648323251419 15.999 > 7 22 O 0.51085791430800 0.08333333333333 0.78351676748581 15.999 > 8 23 O 0.51085791430800 0.41666666666667 0.78351676748581 15.999 > 8 24 O 0.51085791430800 0.75000000000000 0.78351676748581 15.999 > 8 *25 O 0.37114684571053 0.25000000000000 0.98180856515636 15.999 > 9 26 O 0.37114684571053 0.58333333333333 0.98180856515636 15.999 > 9 27 O 0.37114684571053 0.91666666666667 0.98180856515636 15.999 > 9 28 O 0.62885315428947 0.08333333333333 0.01819143484364 15.999 > 10 29 O 0.62885315428947 0.41666666666667 0.01819143484364 15.999 > 10 30 O 0.62885315428947 0.75000000000000 0.01819143484364 15.999 > 10 31 O 0.87114684571053 0.25000000000000 0.51819143484364 15.999 > 11 32 O 0.87114684571053 0.58333333333333 0.51819143484364 15.999 > 11 33 O 0.87114684571053 0.91666666666667 0.51819143484364 15.999 > 11 34 O 0.12885315428947 0.08333333333333 0.48180856515636 15.999 > 12 35 O 0.12885315428947 0.41666666666667 0.48180856515636 15.999 > 12 36 O 0.12885315428947 0.75000000000000 0.48180856515636 15.999 > 12 *37 O 0.21373846935453 0.08333333333333 0.17802932995017 15.999 > 13 38 O 0.21373846935453 0.41666666666667 0.17802932995017 15.999 > 13 39 O 0.21373846935453 0.75000000000000 0.17802932995017 15.999 > 13 40 O 0.78626153064547 0.25000000000000 0.82197067004983 15.999 > 14 41 O 0.78626153064547 0.58333333333333 0.82197067004983 15.999 > 14 42 O 0.78626153064547 0.91666666666667 0.82197067004983 15.999 > 14 43 O 0.71373846935453 0.08333333333333 0.32197067004983 15.999 > 15 44 O 0.71373846935453 0.41666666666667 0.32197067004983 15.999 > 15 45 O 0.71373846935453 0.75000000000000 0.32197067004983 15.999 > 15 46 O 0.28626153064547 0.25000000000000 0.67802932995017 15.999 > 16 47 O 0.28626153064547 0.58333333333333 0.67802932995017 15.999 > 16 48 O 0.28626153064547 0.91666666666667 0.67802932995017 15.999 > 16 *49 Sr 0.75070295448337 0.08333333333333 0.64946256309364 87.620 > 17 50 Sr 0.75070295448337 0.41666666666667 0.64946256309364 87.620 > 17 51 Sr 0.75070295448337 0.75000000000000 0.64946256309364 87.620 > 17 52 Sr 0.24929704551663 0.25000000000000 0.35053743690636 87.620 > 18 53 Sr 0.24929704551663 0.58333333333333 0.35053743690636 87.620 > 18 54 Sr 0.24929704551663 0.91666666666667 0.35053743690636 87.620 > 18 55 Sr 0.25070295448337 0.08333333333333 0.85053743690636 87.620 > 19 56 Sr 0.25070295448337 0.41666666666667 0.85053743690636 87.620 > 19 57 Sr 0.25070295448337 0.75000000000000 0.85053743690636 87.620 > 19 58 Sr 0.74929704551663 0.25000000000000 0.14946256309364 87.620 > 20 59 Sr 0.74929704551663 0.58333333333333 0.14946256309364 87.620 > 20 60 Sr 0.74929704551663 0.91666666666667 0.14946256309364 87.620 > 20 *61 Tb 0.07475433990486 0.25000000000000 0.61188603042589 158.925 > 21 62 Tb 0.07475433990486 0.58333333333333 0.61188603042589 158.925 > 21 63 Tb 0.07475433990486 0.91666666666667 0.61188603042589 158.925 > 21 64 Tb 0.92524566009514 0.08333333333333 0.38811396957410 158.925 > 22 65 Tb 0.92524566009514 0.41666666666667 0.38811396957410 158.925 > 22 66 Tb 0.92524566009514 0.75000000000000 0.38811396957410 158.925 > 22 67 Tb 0.57475433990486 0.25000000000000 0.88811396957411 158.925 > 23 68 Tb 0.57475433990486 0.58333333333333 0.88811396957411 158.925 > 23 69 Tb 0.57475433990486 0.91666666666667 0.88811396957411 158.925 > 23 70 Tb 0.42524566009514 0.08333333333333 0.11188603042589 158.925 > 24 71 Tb 0.42524566009514 0.41666666666667 0.11188603042589 158.925 > 24 72 Tb 0.42524566009514 0.75000000000000 0.11188603042589 158.925 > 24 *73 Tb 0.41839676034357 0.08333333333333 0.61087206729906 158.925 > 25 74 Tb 0.41839676034357 0.41666666666667 0.61087206729906 158.925 > 25 75 Tb 0.41839676034357 0.75000000000000 0.61087206729906 158.925 > 25 76 Tb 0.58160323965643 0.25000000000000 0.38912793270094 158.925 > 26 77 Tb 0.58160323965643 0.58333333333333 0.38912793270094 158.925 > 26 78 Tb 0.58160323965643 0.91666666666667 0.38912793270094 158.925 > 26 79 Tb 0.91839676034357 0.08333333333333 0.88912793270094 158.925 > 27 80 Tb 0.91839676034357 0.41666666666667 0.88912793270094 158.925 > 27 81 Tb 0.91839676034357 0.75000000000000 0.88912793270094 158.925 > 27 82 Tb 0.08160323965643 0.25000000000000 0.11087206729906 158.925 > 28 83 Tb 0.08160323965643 0.58333333333333 0.11087206729906 158.925 > 28 84 Tb 0.08160323965643 0.91666666666667 0.11087206729906 158.925 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2063488 0.0000000 0.0000000 0.0000000 4.4443424 0.0000000 0.0000000 0.0000000 4.3105092 -------------------------- Born effective charges -------------------------- 1 O -2.3692481 0.0000000 -0.0287727 0.0000000 -2.7099070 0.0000000 -0.1340017 0.0000000 -2.4771457 2 O -2.3692481 0.0000000 -0.0287727 0.0000000 -2.7099070 0.0000000 -0.1340017 0.0000000 -2.4771457 3 O -2.3692481 0.0000000 0.0287727 0.0000000 -2.7099070 0.0000000 0.1340017 0.0000000 -2.4771457 4 O -2.3692481 0.0000000 0.0287727 0.0000000 -2.7099070 0.0000000 0.1340017 0.0000000 -2.4771457 5 O -1.9866597 0.0000000 0.4386666 0.0000000 -2.6715922 0.0000000 0.5965295 0.0000000 -3.0667084 6 O -1.9866597 0.0000000 0.4386666 0.0000000 -2.6715922 0.0000000 0.5965295 0.0000000 -3.0667084 7 O -1.9866597 0.0000000 -0.4386666 0.0000000 -2.6715922 0.0000000 -0.5965295 0.0000000 -3.0667084 8 O -1.9866597 0.0000000 -0.4386666 0.0000000 -2.6715922 0.0000000 -0.5965295 0.0000000 -3.0667084 9 O -2.3942464 0.0000000 -0.0074482 0.0000000 -2.6403316 0.0000000 0.0388551 0.0000000 -2.5170729 10 O -2.3942464 0.0000000 -0.0074482 0.0000000 -2.6403316 0.0000000 0.0388551 0.0000000 -2.5170729 11 O -2.3942464 0.0000000 0.0074482 0.0000000 -2.6403316 0.0000000 -0.0388551 0.0000000 -2.5170729 12 O -2.3942464 0.0000000 0.0074482 0.0000000 -2.6403316 0.0000000 -0.0388551 0.0000000 -2.5170729 13 O -2.9155331 0.0000000 -0.0454654 0.0000000 -2.6989176 0.0000000 -0.0579593 0.0000000 -2.0726428 14 O -2.9155331 0.0000000 -0.0454654 0.0000000 -2.6989176 0.0000000 -0.0579593 0.0000000 -2.0726428 15 O -2.9155331 0.0000000 0.0454654 0.0000000 -2.6989176 0.0000000 0.0579593 0.0000000 -2.0726428 16 O -2.9155331 0.0000000 0.0454654 0.0000000 -2.6989176 0.0000000 0.0579593 0.0000000 -2.0726428 17 Sr 2.6182589 0.0000000 -0.0572884 0.0000000 2.3985600 0.0000000 -0.0262793 0.0000000 2.4812333 18 Sr 2.6182589 0.0000000 -0.0572884 0.0000000 2.3985600 0.0000000 -0.0262793 0.0000000 2.4812333 19 Sr 2.6182589 0.0000000 0.0572884 0.0000000 2.3985600 0.0000000 0.0262793 0.0000000 2.4812333 20 Sr 2.6182589 0.0000000 0.0572884 0.0000000 2.3985600 0.0000000 0.0262793 0.0000000 2.4812333 21 Tb 3.5510322 0.0000000 0.2247596 0.0000000 4.2843667 0.0000000 0.1065566 0.0000000 3.5969467 22 Tb 3.5510322 0.0000000 0.2247596 0.0000000 4.2843667 0.0000000 0.1065566 0.0000000 3.5969467 23 Tb 3.5510322 0.0000000 -0.2247596 0.0000000 4.2843667 0.0000000 -0.1065566 0.0000000 3.5969467 24 Tb 3.5510322 0.0000000 -0.2247596 0.0000000 4.2843667 0.0000000 -0.1065566 0.0000000 3.5969467 25 Tb 3.4963963 0.0000000 -0.2086071 0.0000000 4.0378218 0.0000000 -0.0855933 0.0000000 4.0553898 26 Tb 3.4963963 0.0000000 -0.2086071 0.0000000 4.0378218 0.0000000 -0.0855933 0.0000000 4.0553898 27 Tb 3.4963963 0.0000000 0.2086071 0.0000000 4.0378218 0.0000000 0.0855933 0.0000000 4.0553898 28 Tb 3.4963963 0.0000000 0.2086071 0.0000000 4.0378218 0.0000000 0.0855933 0.0000000 4.0553898 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.449 Solver_block: 200 / 480 - Time: 1.422 Solver_block: 300 / 480 - Time: 1.420 Solver_block: 400 / 480 - Time: 1.422 Solver_block: 480 / 480 - Time: 1.169 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.917 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 04:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:04:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.992845270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.416733400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.892233339999999 Atomic positions (fractional): 1 O 0.07227954538490 0.75000000000000 0.92093703629013 15.999 2 O 0.92772045461510 0.25000000000000 0.07906296370987 15.999 3 O 0.57227954538490 0.75000000000000 0.57906296370987 15.999 4 O 0.42772045461510 0.25000000000000 0.42093703629013 15.999 5 O 0.98914208569200 0.75000000000000 0.28351676748581 15.999 6 O 0.01085791430800 0.25000000000000 0.71648323251419 15.999 7 O 0.48914208569200 0.75000000000000 0.21648323251419 15.999 8 O 0.51085791430800 0.25000000000000 0.78351676748581 15.999 9 O 0.37114684571053 0.75000000000000 0.98180856515636 15.999 10 O 0.62885315428947 0.25000000000000 0.01819143484364 15.999 11 O 0.87114684571053 0.75000000000000 0.51819143484364 15.999 12 O 0.12885315428947 0.25000000000000 0.48180856515636 15.999 13 O 0.21373846935453 0.25000000000000 0.17802932995017 15.999 14 O 0.78626153064547 0.75000000000000 0.82197067004983 15.999 15 O 0.71373846935453 0.25000000000000 0.32197067004983 15.999 16 O 0.28626153064547 0.75000000000000 0.67802932995017 15.999 17 Sr 0.75070295448337 0.25000000000000 0.64946256309364 87.620 18 Sr 0.24929704551663 0.75000000000000 0.35053743690636 87.620 19 Sr 0.25070295448337 0.25000000000000 0.85053743690636 87.620 20 Sr 0.74929704551663 0.75000000000000 0.14946256309364 87.620 21 Tb 0.07475433990486 0.75000000000000 0.61188603042589 158.925 22 Tb 0.92524566009514 0.25000000000000 0.38811396957410 158.925 23 Tb 0.57475433990486 0.75000000000000 0.88811396957411 158.925 24 Tb 0.42524566009514 0.25000000000000 0.11188603042589 158.925 25 Tb 0.41839676034357 0.25000000000000 0.61087206729906 158.925 26 Tb 0.58160323965643 0.75000000000000 0.38912793270094 158.925 27 Tb 0.91839676034357 0.25000000000000 0.88912793270094 158.925 28 Tb 0.08160323965643 0.75000000000000 0.11087206729906 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.992845270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.250200200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.892233339999999 Atomic positions (fractional): 1 O 0.07227954538490 0.25000000000000 0.92093703629013 15.999 > 1 2 O 0.07227954538490 0.58333333333333 0.92093703629013 15.999 > 1 3 O 0.07227954538490 0.91666666666667 0.92093703629013 15.999 > 1 4 O 0.92772045461510 0.08333333333333 0.07906296370987 15.999 > 4 5 O 0.92772045461510 0.41666666666667 0.07906296370987 15.999 > 4 6 O 0.92772045461510 0.75000000000000 0.07906296370987 15.999 > 4 7 O 0.57227954538490 0.25000000000000 0.57906296370987 15.999 > 7 8 O 0.57227954538490 0.58333333333333 0.57906296370987 15.999 > 7 9 O 0.57227954538490 0.91666666666667 0.57906296370987 15.999 > 7 10 O 0.42772045461510 0.08333333333333 0.42093703629013 15.999 > 10 11 O 0.42772045461510 0.41666666666667 0.42093703629013 15.999 > 10 12 O 0.42772045461510 0.75000000000000 0.42093703629013 15.999 > 10 13 O 0.98914208569200 0.25000000000000 0.28351676748581 15.999 > 13 14 O 0.98914208569200 0.58333333333333 0.28351676748581 15.999 > 13 15 O 0.98914208569200 0.91666666666667 0.28351676748581 15.999 > 13 16 O 0.01085791430800 0.08333333333333 0.71648323251419 15.999 > 16 17 O 0.01085791430800 0.41666666666667 0.71648323251419 15.999 > 16 18 O 0.01085791430800 0.75000000000000 0.71648323251419 15.999 > 16 19 O 0.48914208569200 0.25000000000000 0.21648323251419 15.999 > 19 20 O 0.48914208569200 0.58333333333333 0.21648323251419 15.999 > 19 21 O 0.48914208569200 0.91666666666667 0.21648323251419 15.999 > 19 22 O 0.51085791430800 0.08333333333333 0.78351676748581 15.999 > 22 23 O 0.51085791430800 0.41666666666667 0.78351676748581 15.999 > 22 24 O 0.51085791430800 0.75000000000000 0.78351676748581 15.999 > 22 25 O 0.37114684571053 0.25000000000000 0.98180856515636 15.999 > 25 26 O 0.37114684571053 0.58333333333333 0.98180856515636 15.999 > 25 27 O 0.37114684571053 0.91666666666667 0.98180856515636 15.999 > 25 28 O 0.62885315428947 0.08333333333333 0.01819143484364 15.999 > 28 29 O 0.62885315428947 0.41666666666667 0.01819143484364 15.999 > 28 30 O 0.62885315428947 0.75000000000000 0.01819143484364 15.999 > 28 31 O 0.87114684571053 0.25000000000000 0.51819143484364 15.999 > 31 32 O 0.87114684571053 0.58333333333333 0.51819143484364 15.999 > 31 33 O 0.87114684571053 0.91666666666667 0.51819143484364 15.999 > 31 34 O 0.12885315428947 0.08333333333333 0.48180856515636 15.999 > 34 35 O 0.12885315428947 0.41666666666667 0.48180856515636 15.999 > 34 36 O 0.12885315428947 0.75000000000000 0.48180856515636 15.999 > 34 37 O 0.21373846935453 0.08333333333333 0.17802932995017 15.999 > 37 38 O 0.21373846935453 0.41666666666667 0.17802932995017 15.999 > 37 39 O 0.21373846935453 0.75000000000000 0.17802932995017 15.999 > 37 40 O 0.78626153064547 0.25000000000000 0.82197067004983 15.999 > 40 41 O 0.78626153064547 0.58333333333333 0.82197067004983 15.999 > 40 42 O 0.78626153064547 0.91666666666667 0.82197067004983 15.999 > 40 43 O 0.71373846935453 0.08333333333333 0.32197067004983 15.999 > 43 44 O 0.71373846935453 0.41666666666667 0.32197067004983 15.999 > 43 45 O 0.71373846935453 0.75000000000000 0.32197067004983 15.999 > 43 46 O 0.28626153064547 0.25000000000000 0.67802932995017 15.999 > 46 47 O 0.28626153064547 0.58333333333333 0.67802932995017 15.999 > 46 48 O 0.28626153064547 0.91666666666667 0.67802932995017 15.999 > 46 49 Sr 0.75070295448337 0.08333333333333 0.64946256309364 87.620 > 49 50 Sr 0.75070295448337 0.41666666666667 0.64946256309364 87.620 > 49 51 Sr 0.75070295448337 0.75000000000000 0.64946256309364 87.620 > 49 52 Sr 0.24929704551663 0.25000000000000 0.35053743690636 87.620 > 52 53 Sr 0.24929704551663 0.58333333333333 0.35053743690636 87.620 > 52 54 Sr 0.24929704551663 0.91666666666667 0.35053743690636 87.620 > 52 55 Sr 0.25070295448337 0.08333333333333 0.85053743690636 87.620 > 55 56 Sr 0.25070295448337 0.41666666666667 0.85053743690636 87.620 > 55 57 Sr 0.25070295448337 0.75000000000000 0.85053743690636 87.620 > 55 58 Sr 0.74929704551663 0.25000000000000 0.14946256309364 87.620 > 58 59 Sr 0.74929704551663 0.58333333333333 0.14946256309364 87.620 > 58 60 Sr 0.74929704551663 0.91666666666667 0.14946256309364 87.620 > 58 61 Tb 0.07475433990486 0.25000000000000 0.61188603042589 158.925 > 61 62 Tb 0.07475433990486 0.58333333333333 0.61188603042589 158.925 > 61 63 Tb 0.07475433990486 0.91666666666667 0.61188603042589 158.925 > 61 64 Tb 0.92524566009514 0.08333333333333 0.38811396957410 158.925 > 64 65 Tb 0.92524566009514 0.41666666666667 0.38811396957410 158.925 > 64 66 Tb 0.92524566009514 0.75000000000000 0.38811396957410 158.925 > 64 67 Tb 0.57475433990486 0.25000000000000 0.88811396957411 158.925 > 67 68 Tb 0.57475433990486 0.58333333333333 0.88811396957411 158.925 > 67 69 Tb 0.57475433990486 0.91666666666667 0.88811396957411 158.925 > 67 70 Tb 0.42524566009514 0.08333333333333 0.11188603042589 158.925 > 70 71 Tb 0.42524566009514 0.41666666666667 0.11188603042589 158.925 > 70 72 Tb 0.42524566009514 0.75000000000000 0.11188603042589 158.925 > 70 73 Tb 0.41839676034357 0.08333333333333 0.61087206729906 158.925 > 73 74 Tb 0.41839676034357 0.41666666666667 0.61087206729906 158.925 > 73 75 Tb 0.41839676034357 0.75000000000000 0.61087206729906 158.925 > 73 76 Tb 0.58160323965643 0.25000000000000 0.38912793270094 158.925 > 76 77 Tb 0.58160323965643 0.58333333333333 0.38912793270094 158.925 > 76 78 Tb 0.58160323965643 0.91666666666667 0.38912793270094 158.925 > 76 79 Tb 0.91839676034357 0.08333333333333 0.88912793270094 158.925 > 79 80 Tb 0.91839676034357 0.41666666666667 0.88912793270094 158.925 > 79 81 Tb 0.91839676034357 0.75000000000000 0.88912793270094 158.925 > 79 82 Tb 0.08160323965643 0.25000000000000 0.11087206729906 158.925 > 82 83 Tb 0.08160323965643 0.58333333333333 0.11087206729906 158.925 > 82 84 Tb 0.08160323965643 0.91666666666667 0.11087206729906 158.925 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2063488 0.0000000 0.0000000 0.0000000 4.4443424 0.0000000 0.0000000 0.0000000 4.3105092 -------------------------- Born effective charges -------------------------- 1 O -2.3692481 0.0000000 -0.0287727 0.0000000 -2.7099070 0.0000000 -0.1340017 0.0000000 -2.4771457 2 O -2.3692481 0.0000000 -0.0287727 0.0000000 -2.7099070 0.0000000 -0.1340017 0.0000000 -2.4771457 3 O -2.3692481 0.0000000 0.0287727 0.0000000 -2.7099070 0.0000000 0.1340017 0.0000000 -2.4771457 4 O -2.3692481 0.0000000 0.0287727 0.0000000 -2.7099070 0.0000000 0.1340017 0.0000000 -2.4771457 5 O -1.9866597 0.0000000 0.4386666 0.0000000 -2.6715922 0.0000000 0.5965295 0.0000000 -3.0667084 6 O -1.9866597 0.0000000 0.4386666 0.0000000 -2.6715922 0.0000000 0.5965295 0.0000000 -3.0667084 7 O -1.9866597 0.0000000 -0.4386666 0.0000000 -2.6715922 0.0000000 -0.5965295 0.0000000 -3.0667084 8 O -1.9866597 0.0000000 -0.4386666 0.0000000 -2.6715922 0.0000000 -0.5965295 0.0000000 -3.0667084 9 O -2.3942464 0.0000000 -0.0074482 0.0000000 -2.6403316 0.0000000 0.0388551 0.0000000 -2.5170729 10 O -2.3942464 0.0000000 -0.0074482 0.0000000 -2.6403316 0.0000000 0.0388551 0.0000000 -2.5170729 11 O -2.3942464 0.0000000 0.0074482 0.0000000 -2.6403316 0.0000000 -0.0388551 0.0000000 -2.5170729 12 O -2.3942464 0.0000000 0.0074482 0.0000000 -2.6403316 0.0000000 -0.0388551 0.0000000 -2.5170729 13 O -2.9155331 0.0000000 -0.0454654 0.0000000 -2.6989176 0.0000000 -0.0579593 0.0000000 -2.0726428 14 O -2.9155331 0.0000000 -0.0454654 0.0000000 -2.6989176 0.0000000 -0.0579593 0.0000000 -2.0726428 15 O -2.9155331 0.0000000 0.0454654 0.0000000 -2.6989176 0.0000000 0.0579593 0.0000000 -2.0726428 16 O -2.9155331 0.0000000 0.0454654 0.0000000 -2.6989176 0.0000000 0.0579593 0.0000000 -2.0726428 17 Sr 2.6182589 0.0000000 -0.0572884 0.0000000 2.3985600 0.0000000 -0.0262793 0.0000000 2.4812333 18 Sr 2.6182589 0.0000000 -0.0572884 0.0000000 2.3985600 0.0000000 -0.0262793 0.0000000 2.4812333 19 Sr 2.6182589 0.0000000 0.0572884 0.0000000 2.3985600 0.0000000 0.0262793 0.0000000 2.4812333 20 Sr 2.6182589 0.0000000 0.0572884 0.0000000 2.3985600 0.0000000 0.0262793 0.0000000 2.4812333 21 Tb 3.5510322 0.0000000 0.2247596 0.0000000 4.2843667 0.0000000 0.1065566 0.0000000 3.5969467 22 Tb 3.5510322 0.0000000 0.2247596 0.0000000 4.2843667 0.0000000 0.1065566 0.0000000 3.5969467 23 Tb 3.5510322 0.0000000 -0.2247596 0.0000000 4.2843667 0.0000000 -0.1065566 0.0000000 3.5969467 24 Tb 3.5510322 0.0000000 -0.2247596 0.0000000 4.2843667 0.0000000 -0.1065566 0.0000000 3.5969467 25 Tb 3.4963963 0.0000000 -0.2086071 0.0000000 4.0378218 0.0000000 -0.0855933 0.0000000 4.0553898 26 Tb 3.4963963 0.0000000 -0.2086071 0.0000000 4.0378218 0.0000000 -0.0855933 0.0000000 4.0553898 27 Tb 3.4963963 0.0000000 0.2086071 0.0000000 4.0378218 0.0000000 0.0855933 0.0000000 4.0553898 28 Tb 3.4963963 0.0000000 0.2086071 0.0000000 4.0378218 0.0000000 0.0855933 0.0000000 4.0553898 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:05:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:05:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.992845270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.416733400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.892233339999999 Atomic positions (fractional): 1 O 0.07227954538490 0.75000000000000 0.92093703629013 15.999 2 O 0.92772045461510 0.25000000000000 0.07906296370987 15.999 3 O 0.57227954538490 0.75000000000000 0.57906296370987 15.999 4 O 0.42772045461510 0.25000000000000 0.42093703629013 15.999 5 O 0.98914208569200 0.75000000000000 0.28351676748581 15.999 6 O 0.01085791430800 0.25000000000000 0.71648323251419 15.999 7 O 0.48914208569200 0.75000000000000 0.21648323251419 15.999 8 O 0.51085791430800 0.25000000000000 0.78351676748581 15.999 9 O 0.37114684571053 0.75000000000000 0.98180856515636 15.999 10 O 0.62885315428947 0.25000000000000 0.01819143484364 15.999 11 O 0.87114684571053 0.75000000000000 0.51819143484364 15.999 12 O 0.12885315428947 0.25000000000000 0.48180856515636 15.999 13 O 0.21373846935453 0.25000000000000 0.17802932995017 15.999 14 O 0.78626153064547 0.75000000000000 0.82197067004983 15.999 15 O 0.71373846935453 0.25000000000000 0.32197067004983 15.999 16 O 0.28626153064547 0.75000000000000 0.67802932995017 15.999 17 Sr 0.75070295448337 0.25000000000000 0.64946256309364 87.620 18 Sr 0.24929704551663 0.75000000000000 0.35053743690636 87.620 19 Sr 0.25070295448337 0.25000000000000 0.85053743690636 87.620 20 Sr 0.74929704551663 0.75000000000000 0.14946256309364 87.620 21 Tb 0.07475433990486 0.75000000000000 0.61188603042589 158.925 22 Tb 0.92524566009514 0.25000000000000 0.38811396957410 158.925 23 Tb 0.57475433990486 0.75000000000000 0.88811396957411 158.925 24 Tb 0.42524566009514 0.25000000000000 0.11188603042589 158.925 25 Tb 0.41839676034357 0.25000000000000 0.61087206729906 158.925 26 Tb 0.58160323965643 0.75000000000000 0.38912793270094 158.925 27 Tb 0.91839676034357 0.25000000000000 0.88912793270094 158.925 28 Tb 0.08160323965643 0.75000000000000 0.11087206729906 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.992845270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.250200200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.892233339999999 Atomic positions (fractional): 1 O 0.07227954538490 0.25000000000000 0.92093703629013 15.999 > 1 2 O 0.07227954538490 0.58333333333333 0.92093703629013 15.999 > 1 3 O 0.07227954538490 0.91666666666667 0.92093703629013 15.999 > 1 4 O 0.92772045461510 0.08333333333333 0.07906296370987 15.999 > 4 5 O 0.92772045461510 0.41666666666667 0.07906296370987 15.999 > 4 6 O 0.92772045461510 0.75000000000000 0.07906296370987 15.999 > 4 7 O 0.57227954538490 0.25000000000000 0.57906296370987 15.999 > 7 8 O 0.57227954538490 0.58333333333333 0.57906296370987 15.999 > 7 9 O 0.57227954538490 0.91666666666667 0.57906296370987 15.999 > 7 10 O 0.42772045461510 0.08333333333333 0.42093703629013 15.999 > 10 11 O 0.42772045461510 0.41666666666667 0.42093703629013 15.999 > 10 12 O 0.42772045461510 0.75000000000000 0.42093703629013 15.999 > 10 13 O 0.98914208569200 0.25000000000000 0.28351676748581 15.999 > 13 14 O 0.98914208569200 0.58333333333333 0.28351676748581 15.999 > 13 15 O 0.98914208569200 0.91666666666667 0.28351676748581 15.999 > 13 16 O 0.01085791430800 0.08333333333333 0.71648323251419 15.999 > 16 17 O 0.01085791430800 0.41666666666667 0.71648323251419 15.999 > 16 18 O 0.01085791430800 0.75000000000000 0.71648323251419 15.999 > 16 19 O 0.48914208569200 0.25000000000000 0.21648323251419 15.999 > 19 20 O 0.48914208569200 0.58333333333333 0.21648323251419 15.999 > 19 21 O 0.48914208569200 0.91666666666667 0.21648323251419 15.999 > 19 22 O 0.51085791430800 0.08333333333333 0.78351676748581 15.999 > 22 23 O 0.51085791430800 0.41666666666667 0.78351676748581 15.999 > 22 24 O 0.51085791430800 0.75000000000000 0.78351676748581 15.999 > 22 25 O 0.37114684571053 0.25000000000000 0.98180856515636 15.999 > 25 26 O 0.37114684571053 0.58333333333333 0.98180856515636 15.999 > 25 27 O 0.37114684571053 0.91666666666667 0.98180856515636 15.999 > 25 28 O 0.62885315428947 0.08333333333333 0.01819143484364 15.999 > 28 29 O 0.62885315428947 0.41666666666667 0.01819143484364 15.999 > 28 30 O 0.62885315428947 0.75000000000000 0.01819143484364 15.999 > 28 31 O 0.87114684571053 0.25000000000000 0.51819143484364 15.999 > 31 32 O 0.87114684571053 0.58333333333333 0.51819143484364 15.999 > 31 33 O 0.87114684571053 0.91666666666667 0.51819143484364 15.999 > 31 34 O 0.12885315428947 0.08333333333333 0.48180856515636 15.999 > 34 35 O 0.12885315428947 0.41666666666667 0.48180856515636 15.999 > 34 36 O 0.12885315428947 0.75000000000000 0.48180856515636 15.999 > 34 37 O 0.21373846935453 0.08333333333333 0.17802932995017 15.999 > 37 38 O 0.21373846935453 0.41666666666667 0.17802932995017 15.999 > 37 39 O 0.21373846935453 0.75000000000000 0.17802932995017 15.999 > 37 40 O 0.78626153064547 0.25000000000000 0.82197067004983 15.999 > 40 41 O 0.78626153064547 0.58333333333333 0.82197067004983 15.999 > 40 42 O 0.78626153064547 0.91666666666667 0.82197067004983 15.999 > 40 43 O 0.71373846935453 0.08333333333333 0.32197067004983 15.999 > 43 44 O 0.71373846935453 0.41666666666667 0.32197067004983 15.999 > 43 45 O 0.71373846935453 0.75000000000000 0.32197067004983 15.999 > 43 46 O 0.28626153064547 0.25000000000000 0.67802932995017 15.999 > 46 47 O 0.28626153064547 0.58333333333333 0.67802932995017 15.999 > 46 48 O 0.28626153064547 0.91666666666667 0.67802932995017 15.999 > 46 49 Sr 0.75070295448337 0.08333333333333 0.64946256309364 87.620 > 49 50 Sr 0.75070295448337 0.41666666666667 0.64946256309364 87.620 > 49 51 Sr 0.75070295448337 0.75000000000000 0.64946256309364 87.620 > 49 52 Sr 0.24929704551663 0.25000000000000 0.35053743690636 87.620 > 52 53 Sr 0.24929704551663 0.58333333333333 0.35053743690636 87.620 > 52 54 Sr 0.24929704551663 0.91666666666667 0.35053743690636 87.620 > 52 55 Sr 0.25070295448337 0.08333333333333 0.85053743690636 87.620 > 55 56 Sr 0.25070295448337 0.41666666666667 0.85053743690636 87.620 > 55 57 Sr 0.25070295448337 0.75000000000000 0.85053743690636 87.620 > 55 58 Sr 0.74929704551663 0.25000000000000 0.14946256309364 87.620 > 58 59 Sr 0.74929704551663 0.58333333333333 0.14946256309364 87.620 > 58 60 Sr 0.74929704551663 0.91666666666667 0.14946256309364 87.620 > 58 61 Tb 0.07475433990486 0.25000000000000 0.61188603042589 158.925 > 61 62 Tb 0.07475433990486 0.58333333333333 0.61188603042589 158.925 > 61 63 Tb 0.07475433990486 0.91666666666667 0.61188603042589 158.925 > 61 64 Tb 0.92524566009514 0.08333333333333 0.38811396957410 158.925 > 64 65 Tb 0.92524566009514 0.41666666666667 0.38811396957410 158.925 > 64 66 Tb 0.92524566009514 0.75000000000000 0.38811396957410 158.925 > 64 67 Tb 0.57475433990486 0.25000000000000 0.88811396957411 158.925 > 67 68 Tb 0.57475433990486 0.58333333333333 0.88811396957411 158.925 > 67 69 Tb 0.57475433990486 0.91666666666667 0.88811396957411 158.925 > 67 70 Tb 0.42524566009514 0.08333333333333 0.11188603042589 158.925 > 70 71 Tb 0.42524566009514 0.41666666666667 0.11188603042589 158.925 > 70 72 Tb 0.42524566009514 0.75000000000000 0.11188603042589 158.925 > 70 73 Tb 0.41839676034357 0.08333333333333 0.61087206729906 158.925 > 73 74 Tb 0.41839676034357 0.41666666666667 0.61087206729906 158.925 > 73 75 Tb 0.41839676034357 0.75000000000000 0.61087206729906 158.925 > 73 76 Tb 0.58160323965643 0.25000000000000 0.38912793270094 158.925 > 76 77 Tb 0.58160323965643 0.58333333333333 0.38912793270094 158.925 > 76 78 Tb 0.58160323965643 0.91666666666667 0.38912793270094 158.925 > 76 79 Tb 0.91839676034357 0.08333333333333 0.88912793270094 158.925 > 79 80 Tb 0.91839676034357 0.41666666666667 0.88912793270094 158.925 > 79 81 Tb 0.91839676034357 0.75000000000000 0.88912793270094 158.925 > 79 82 Tb 0.08160323965643 0.25000000000000 0.11087206729906 158.925 > 82 83 Tb 0.08160323965643 0.58333333333333 0.11087206729906 158.925 > 82 84 Tb 0.08160323965643 0.91666666666667 0.11087206729906 158.925 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2063488 0.0000000 0.0000000 0.0000000 4.4443424 0.0000000 0.0000000 0.0000000 4.3105092 -------------------------- Born effective charges -------------------------- 1 O -2.3692481 0.0000000 -0.0287727 0.0000000 -2.7099070 0.0000000 -0.1340017 0.0000000 -2.4771457 2 O -2.3692481 0.0000000 -0.0287727 0.0000000 -2.7099070 0.0000000 -0.1340017 0.0000000 -2.4771457 3 O -2.3692481 0.0000000 0.0287727 0.0000000 -2.7099070 0.0000000 0.1340017 0.0000000 -2.4771457 4 O -2.3692481 0.0000000 0.0287727 0.0000000 -2.7099070 0.0000000 0.1340017 0.0000000 -2.4771457 5 O -1.9866597 0.0000000 0.4386666 0.0000000 -2.6715922 0.0000000 0.5965295 0.0000000 -3.0667084 6 O -1.9866597 0.0000000 0.4386666 0.0000000 -2.6715922 0.0000000 0.5965295 0.0000000 -3.0667084 7 O -1.9866597 0.0000000 -0.4386666 0.0000000 -2.6715922 0.0000000 -0.5965295 0.0000000 -3.0667084 8 O -1.9866597 0.0000000 -0.4386666 0.0000000 -2.6715922 0.0000000 -0.5965295 0.0000000 -3.0667084 9 O -2.3942464 0.0000000 -0.0074482 0.0000000 -2.6403316 0.0000000 0.0388551 0.0000000 -2.5170729 10 O -2.3942464 0.0000000 -0.0074482 0.0000000 -2.6403316 0.0000000 0.0388551 0.0000000 -2.5170729 11 O -2.3942464 0.0000000 0.0074482 0.0000000 -2.6403316 0.0000000 -0.0388551 0.0000000 -2.5170729 12 O -2.3942464 0.0000000 0.0074482 0.0000000 -2.6403316 0.0000000 -0.0388551 0.0000000 -2.5170729 13 O -2.9155331 0.0000000 -0.0454654 0.0000000 -2.6989176 0.0000000 -0.0579593 0.0000000 -2.0726428 14 O -2.9155331 0.0000000 -0.0454654 0.0000000 -2.6989176 0.0000000 -0.0579593 0.0000000 -2.0726428 15 O -2.9155331 0.0000000 0.0454654 0.0000000 -2.6989176 0.0000000 0.0579593 0.0000000 -2.0726428 16 O -2.9155331 0.0000000 0.0454654 0.0000000 -2.6989176 0.0000000 0.0579593 0.0000000 -2.0726428 17 Sr 2.6182589 0.0000000 -0.0572884 0.0000000 2.3985600 0.0000000 -0.0262793 0.0000000 2.4812333 18 Sr 2.6182589 0.0000000 -0.0572884 0.0000000 2.3985600 0.0000000 -0.0262793 0.0000000 2.4812333 19 Sr 2.6182589 0.0000000 0.0572884 0.0000000 2.3985600 0.0000000 0.0262793 0.0000000 2.4812333 20 Sr 2.6182589 0.0000000 0.0572884 0.0000000 2.3985600 0.0000000 0.0262793 0.0000000 2.4812333 21 Tb 3.5510322 0.0000000 0.2247596 0.0000000 4.2843667 0.0000000 0.1065566 0.0000000 3.5969467 22 Tb 3.5510322 0.0000000 0.2247596 0.0000000 4.2843667 0.0000000 0.1065566 0.0000000 3.5969467 23 Tb 3.5510322 0.0000000 -0.2247596 0.0000000 4.2843667 0.0000000 -0.1065566 0.0000000 3.5969467 24 Tb 3.5510322 0.0000000 -0.2247596 0.0000000 4.2843667 0.0000000 -0.1065566 0.0000000 3.5969467 25 Tb 3.4963963 0.0000000 -0.2086071 0.0000000 4.0378218 0.0000000 -0.0855933 0.0000000 4.0553898 26 Tb 3.4963963 0.0000000 -0.2086071 0.0000000 4.0378218 0.0000000 -0.0855933 0.0000000 4.0553898 27 Tb 3.4963963 0.0000000 0.2086071 0.0000000 4.0378218 0.0000000 0.0855933 0.0000000 4.0553898 28 Tb 3.4963963 0.0000000 0.2086071 0.0000000 4.0378218 0.0000000 0.0855933 0.0000000 4.0553898 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (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 ... [ 5 15 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.972 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.253 ( 0.000 0.000 0.000) 0.000 12.110 ( 0.000 0.000 0.000) 0.000 12.114 ( 0.000 0.000 0.000) 0.000 12.663 ( 0.000 0.000 0.000) 0.000 12.708 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 12.880 ( 0.000 0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.651 ( 0.000 0.000 0.000) 0.000 13.813 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 15.705 ( 0.000 0.000 0.000) 0.000 16.025 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 17.486 ( 0.000 0.000 0.000) 0.000 17.680 ( 0.000 0.000 0.000) 0.000 17.870 ( 0.000 0.000 0.000) 0.000 18.172 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 26.199 0.000 0.000) 26.199 0.553 ( 27.096 0.000 0.000) 27.096 0.873 ( 43.718 0.000 0.000) 43.718 1.758 ( -2.871 0.000 0.000) 2.871 1.808 ( -12.193 0.000 0.000) 12.193 2.028 ( 16.533 0.000 0.000) 16.533 2.029 ( -9.792 0.000 0.000) 9.792 2.165 ( -2.692 0.000 0.000) 2.692 2.207 ( -5.758 0.000 0.000) 5.758 2.269 ( 3.042 0.000 0.000) 3.042 2.458 ( 4.029 0.000 0.000) 4.029 2.577 ( -4.295 0.000 0.000) 4.295 2.609 ( 3.703 0.000 0.000) 3.703 2.636 ( -6.254 0.000 0.000) 6.254 2.657 ( 2.299 0.000 0.000) 2.299 2.750 ( 2.624 0.000 0.000) 2.624 2.908 ( -1.555 0.000 0.000) 1.555 3.004 ( 3.981 0.000 0.000) 3.981 3.009 ( -2.225 0.000 0.000) 2.225 3.214 ( 4.506 0.000 0.000) 4.506 3.241 ( -2.079 0.000 0.000) 2.079 3.300 ( -7.290 0.000 0.000) 7.290 3.505 ( -9.641 0.000 0.000) 9.641 3.627 ( 2.794 0.000 0.000) 2.794 4.134 ( 2.906 0.000 0.000) 2.906 4.332 ( -7.098 0.000 0.000) 7.098 4.353 ( 11.497 0.000 0.000) 11.497 4.610 ( -0.965 0.000 0.000) 0.965 4.706 ( -14.273 0.000 0.000) 14.273 4.834 ( -5.619 0.000 0.000) 5.619 5.066 ( 5.930 0.000 0.000) 5.930 5.353 ( 1.228 0.000 0.000) 1.228 5.356 ( -15.195 0.000 0.000) 15.195 5.394 ( 1.392 0.000 0.000) 1.392 5.742 ( 3.367 0.000 0.000) 3.367 5.871 ( 8.755 0.000 0.000) 8.755 5.909 ( 2.023 0.000 0.000) 2.023 6.173 ( 13.060 0.000 0.000) 13.060 6.425 ( -14.336 0.000 0.000) 14.336 6.932 ( -3.056 0.000 0.000) 3.056 7.467 ( 0.848 0.000 0.000) 0.848 7.648 ( -3.753 0.000 0.000) 3.753 8.111 ( -0.054 0.000 0.000) 0.054 8.183 ( -3.127 0.000 0.000) 3.127 8.193 ( -1.507 0.000 0.000) 1.507 8.240 ( 4.659 0.000 0.000) 4.659 8.311 ( -0.667 0.000 0.000) 0.667 8.511 ( 7.697 0.000 0.000) 7.697 8.583 ( 3.503 0.000 0.000) 3.503 8.783 ( 5.652 0.000 0.000) 5.652 8.972 ( -3.897 0.000 0.000) 3.897 9.165 ( -3.150 0.000 0.000) 3.150 9.414 ( 21.671 0.000 0.000) 21.671 9.809 ( 2.868 0.000 0.000) 2.868 10.181 ( 0.513 0.000 0.000) 0.513 10.243 ( -2.426 0.000 0.000) 2.426 10.252 ( -1.111 0.000 0.000) 1.111 10.297 ( -6.141 0.000 0.000) 6.141 10.825 ( -1.660 0.000 0.000) 1.660 10.919 ( 0.760 0.000 0.000) 0.760 10.969 ( -0.377 0.000 0.000) 0.377 11.268 ( 10.512 0.000 0.000) 10.512 11.274 ( 4.032 0.000 0.000) 4.032 11.489 ( -21.942 0.000 0.000) 21.942 12.064 ( -4.645 0.000 0.000) 4.645 12.166 ( -3.078 0.000 0.000) 3.078 12.671 ( 0.894 0.000 0.000) 0.894 12.676 ( -0.864 0.000 0.000) 0.864 12.842 ( 0.193 0.000 0.000) 0.193 12.860 ( -0.226 0.000 0.000) 0.226 12.881 ( 0.113 0.000 0.000) 0.113 12.891 ( -0.116 0.000 0.000) 0.116 13.642 ( -0.772 0.000 0.000) 0.772 13.691 ( -2.968 0.000 0.000) 2.968 13.939 ( 2.207 0.000 0.000) 2.207 14.096 ( -1.773 0.000 0.000) 1.773 15.727 ( 7.561 0.000 0.000) 7.561 16.033 ( 0.244 0.000 0.000) 0.244 16.325 ( 1.989 0.000 0.000) 1.989 16.423 ( -0.595 0.000 0.000) 0.595 17.590 ( 0.906 0.000 0.000) 0.906 17.674 ( -0.622 0.000 0.000) 0.622 17.884 ( 1.286 0.000 0.000) 1.286 18.110 ( -5.464 0.000 0.000) 5.464 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 23.697 0.000 0.000) 23.697 1.073 ( 24.601 0.000 0.000) 24.601 1.477 ( -19.732 0.000 0.000) 19.732 1.521 ( -19.284 0.000 0.000) 19.284 1.724 ( 39.365 0.000 0.000) 39.365 1.979 ( 3.483 0.000 0.000) 3.483 2.084 ( -6.153 0.000 0.000) 6.153 2.137 ( -1.264 0.000 0.000) 1.264 2.272 ( 3.101 0.000 0.000) 3.101 2.355 ( 5.292 0.000 0.000) 5.292 2.470 ( -5.896 0.000 0.000) 5.896 2.533 ( 3.403 0.000 0.000) 3.403 2.542 ( -24.942 0.000 0.000) 24.942 2.592 ( -2.391 0.000 0.000) 2.391 2.647 ( 11.042 0.000 0.000) 11.042 2.770 ( 5.584 0.000 0.000) 5.584 2.860 ( -3.384 0.000 0.000) 3.384 2.901 ( -10.584 0.000 0.000) 10.584 3.094 ( 4.707 0.000 0.000) 4.707 3.140 ( -0.119 0.000 0.000) 0.119 3.181 ( -3.805 0.000 0.000) 3.805 3.203 ( -3.984 0.000 0.000) 3.984 3.561 ( 12.387 0.000 0.000) 12.387 3.810 ( 5.256 0.000 0.000) 5.256 3.957 ( -5.947 0.000 0.000) 5.947 4.275 ( -19.996 0.000 0.000) 19.996 4.391 ( 10.798 0.000 0.000) 10.798 4.614 ( -5.791 0.000 0.000) 5.791 4.732 ( 8.953 0.000 0.000) 8.953 4.734 ( 6.705 0.000 0.000) 6.705 5.025 ( -8.195 0.000 0.000) 8.195 5.030 ( -13.127 0.000 0.000) 13.127 5.412 ( 3.118 0.000 0.000) 3.118 5.436 ( 0.754 0.000 0.000) 0.754 5.859 ( 6.086 0.000 0.000) 6.086 5.932 ( -0.721 0.000 0.000) 0.721 6.026 ( 6.460 0.000 0.000) 6.460 6.172 ( -9.694 0.000 0.000) 9.694 6.451 ( 14.933 0.000 0.000) 14.933 6.750 ( -13.701 0.000 0.000) 13.701 7.498 ( 2.428 0.000 0.000) 2.428 7.565 ( -4.071 0.000 0.000) 4.071 8.114 ( 0.455 0.000 0.000) 0.455 8.134 ( -1.667 0.000 0.000) 1.667 8.228 ( 3.640 0.000 0.000) 3.640 8.288 ( -1.723 0.000 0.000) 1.723 8.378 ( 8.311 0.000 0.000) 8.311 8.545 ( -6.777 0.000 0.000) 6.777 8.681 ( 8.738 0.000 0.000) 8.738 8.839 ( -5.864 0.000 0.000) 5.864 8.941 ( 6.074 0.000 0.000) 6.074 9.073 ( -5.961 0.000 0.000) 5.961 9.903 ( 22.446 0.000 0.000) 22.446 9.940 ( 9.352 0.000 0.000) 9.352 10.150 ( -8.054 0.000 0.000) 8.054 10.191 ( -4.331 0.000 0.000) 4.331 10.197 ( 1.123 0.000 0.000) 1.123 10.224 ( -1.489 0.000 0.000) 1.489 10.765 ( -0.389 0.000 0.000) 0.389 10.938 ( 1.023 0.000 0.000) 1.023 10.957 ( -0.790 0.000 0.000) 0.790 10.989 ( -21.983 0.000 0.000) 21.983 11.447 ( 11.368 0.000 0.000) 11.368 11.516 ( 8.063 0.000 0.000) 8.063 11.937 ( -6.790 0.000 0.000) 6.790 11.964 ( -11.800 0.000 0.000) 11.800 12.695 ( 1.120 0.000 0.000) 1.120 12.696 ( 1.252 0.000 0.000) 1.252 12.847 ( 0.329 0.000 0.000) 0.329 12.854 ( -0.349 0.000 0.000) 0.349 12.884 ( 0.184 0.000 0.000) 0.184 12.888 ( -0.186 0.000 0.000) 0.186 13.629 ( -0.316 0.000 0.000) 0.316 13.640 ( -1.663 0.000 0.000) 1.663 13.993 ( 2.975 0.000 0.000) 2.975 14.051 ( -2.689 0.000 0.000) 2.689 15.893 ( 7.859 0.000 0.000) 7.859 16.008 ( -3.295 0.000 0.000) 3.295 16.371 ( 2.179 0.000 0.000) 2.179 16.405 ( -1.251 0.000 0.000) 1.251 17.617 ( 1.734 0.000 0.000) 1.734 17.652 ( -1.546 0.000 0.000) 1.546 17.919 ( 2.432 0.000 0.000) 2.432 17.994 ( -5.199 0.000 0.000) 5.199 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 27.240 0.000) 27.240 0.601 ( 0.000 30.206 0.000) 30.206 1.132 ( 0.000 57.452 0.000) 57.452 1.786 ( 0.000 6.193 0.000) 6.193 1.844 ( 0.000 3.339 0.000) 3.339 2.000 ( 0.000 21.793 0.000) 21.793 2.224 ( 0.000 1.888 0.000) 1.888 2.352 ( 0.000 15.009 0.000) 15.009 2.370 ( 0.000 12.333 0.000) 12.333 2.491 ( 0.000 18.824 0.000) 18.824 2.522 ( 0.000 10.618 0.000) 10.618 2.621 ( 0.000 7.444 0.000) 7.444 2.695 ( 0.000 2.074 0.000) 2.074 2.775 ( 0.000 12.948 0.000) 12.948 2.792 ( 0.000 8.505 0.000) 8.505 2.816 ( 0.000 14.440 0.000) 14.440 2.907 ( 0.000 6.065 0.000) 6.065 3.069 ( 0.000 11.438 0.000) 11.438 3.125 ( 0.000 1.569 0.000) 1.569 3.299 ( 0.000 18.128 0.000) 18.128 3.345 ( 0.000 0.367 0.000) 0.367 3.442 ( 0.000 17.550 0.000) 17.550 3.627 ( 0.000 -0.838 0.000) 0.838 3.704 ( 0.000 4.203 0.000) 4.203 3.958 ( 0.000 3.076 0.000) 3.076 4.262 ( 0.000 5.119 0.000) 5.119 4.358 ( 0.000 1.552 0.000) 1.552 4.389 ( 0.000 1.856 0.000) 1.856 4.779 ( 0.000 -2.814 0.000) 2.814 4.846 ( 0.000 -2.518 0.000) 2.518 4.865 ( 0.000 -2.492 0.000) 2.492 5.312 ( 0.000 -3.158 0.000) 3.158 5.336 ( 0.000 -0.761 0.000) 0.761 5.568 ( 0.000 1.086 0.000) 1.086 5.689 ( 0.000 -3.072 0.000) 3.072 5.801 ( 0.000 -1.517 0.000) 1.517 5.882 ( 0.000 -6.938 0.000) 6.938 5.892 ( 0.000 0.802 0.000) 0.802 6.483 ( 0.000 -3.212 0.000) 3.212 6.819 ( 0.000 -8.789 0.000) 8.789 7.882 ( 0.000 14.843 0.000) 14.843 7.927 ( 0.000 -4.881 0.000) 4.881 8.152 ( 0.000 5.695 0.000) 5.695 8.217 ( 0.000 2.050 0.000) 2.050 8.267 ( 0.000 -4.056 0.000) 4.056 8.270 ( 0.000 4.275 0.000) 4.275 8.387 ( 0.000 0.782 0.000) 0.782 8.499 ( 0.000 2.511 0.000) 2.511 8.675 ( 0.000 20.969 0.000) 20.969 8.908 ( 0.000 17.034 0.000) 17.034 9.151 ( 0.000 -1.371 0.000) 1.371 9.161 ( 0.000 14.364 0.000) 14.364 9.314 ( 0.000 10.623 0.000) 10.623 9.787 ( 0.000 -0.366 0.000) 0.366 10.062 ( 0.000 -6.807 0.000) 6.807 10.267 ( 0.000 2.205 0.000) 2.205 10.282 ( 0.000 -0.007 0.000) 0.007 10.510 ( 0.000 10.371 0.000) 10.371 10.703 ( 0.000 -10.031 0.000) 10.031 10.861 ( 0.000 -5.916 0.000) 5.916 10.975 ( 0.000 0.242 0.000) 0.242 11.121 ( 0.000 -1.152 0.000) 1.152 11.326 ( 0.000 6.544 0.000) 6.544 12.058 ( 0.000 -5.659 0.000) 5.659 12.085 ( 0.000 -2.309 0.000) 2.309 12.270 ( 0.000 -1.740 0.000) 1.740 12.577 ( 0.000 -7.678 0.000) 7.678 12.604 ( 0.000 -19.610 0.000) 19.610 12.807 ( 0.000 -3.007 0.000) 3.007 12.810 ( 0.000 8.985 0.000) 8.985 12.934 ( 0.000 4.427 0.000) 4.427 13.095 ( 0.000 2.775 0.000) 2.775 13.689 ( 0.000 2.833 0.000) 2.833 13.762 ( 0.000 -6.058 0.000) 6.058 13.876 ( 0.000 -4.062 0.000) 4.062 14.034 ( 0.000 -8.101 0.000) 8.101 15.780 ( 0.000 6.285 0.000) 6.285 16.027 ( 0.000 0.195 0.000) 0.195 16.267 ( 0.000 -3.505 0.000) 3.505 16.573 ( 0.000 -2.230 0.000) 2.230 17.420 ( 0.000 -6.574 0.000) 6.574 17.598 ( 0.000 -8.194 0.000) 8.194 17.784 ( 0.000 -8.562 0.000) 8.562 18.052 ( 0.000 -11.839 0.000) 11.839 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 19.914 17.524 0.000) 26.526 0.795 ( 16.628 21.785 0.000) 27.406 1.430 ( 24.486 44.373 0.000) 50.681 1.783 ( -4.588 1.794 0.000) 4.927 1.978 ( -5.552 19.495 0.000) 20.270 2.057 ( 16.200 3.647 0.000) 16.606 2.178 ( -4.925 10.067 0.000) 11.207 2.220 ( -4.180 9.343 0.000) 10.235 2.394 ( 1.074 12.829 0.000) 12.873 2.411 ( -3.326 16.782 0.000) 17.109 2.572 ( 1.089 8.485 0.000) 8.555 2.678 ( -0.560 0.245 0.000) 0.611 2.717 ( -4.138 11.240 0.000) 11.978 2.730 ( -2.574 13.539 0.000) 13.781 2.766 ( 0.067 13.709 0.000) 13.709 2.807 ( 6.490 7.628 0.000) 10.015 2.964 ( 2.969 7.383 0.000) 7.957 3.058 ( -1.588 14.026 0.000) 14.115 3.211 ( 5.563 0.154 0.000) 5.565 3.293 ( 0.076 17.150 0.000) 17.150 3.324 ( -4.167 3.556 0.000) 5.478 3.418 ( -2.198 16.927 0.000) 17.069 3.536 ( -11.303 5.032 0.000) 12.373 3.605 ( 1.954 -0.576 0.000) 2.037 4.078 ( 2.828 -3.667 0.000) 4.631 4.326 ( -3.683 0.794 0.000) 3.768 4.385 ( 9.564 3.350 0.000) 10.134 4.502 ( 8.172 -3.349 0.000) 8.832 4.686 ( -13.392 -1.966 0.000) 13.535 4.815 ( -5.106 -1.834 0.000) 5.426 4.884 ( 9.898 -6.426 0.000) 11.801 5.324 ( -5.862 -6.116 0.000) 8.471 5.335 ( -0.644 -1.585 0.000) 1.711 5.356 ( -10.489 -0.292 0.000) 10.493 5.717 ( 3.713 -2.216 0.000) 4.324 5.841 ( 8.754 -2.440 0.000) 9.088 5.910 ( 1.394 0.128 0.000) 1.400 6.133 ( 13.990 -3.724 0.000) 14.477 6.337 ( -11.505 -4.195 0.000) 12.246 6.829 ( -1.773 -7.494 0.000) 7.701 7.865 ( -1.378 16.645 0.000) 16.702 7.959 ( 0.918 10.501 0.000) 10.541 8.131 ( -1.187 3.186 0.000) 3.400 8.157 ( -11.296 5.866 0.000) 12.729 8.246 ( -1.431 2.540 0.000) 2.915 8.262 ( 4.441 1.924 0.000) 4.840 8.289 ( 1.139 -0.522 0.000) 1.253 8.611 ( 3.394 2.916 0.000) 4.474 8.692 ( 3.858 18.922 0.000) 19.312 8.941 ( 3.488 14.705 0.000) 15.113 9.114 ( -3.704 13.189 0.000) 13.699 9.264 ( -4.231 9.567 0.000) 10.460 9.390 ( 20.808 -1.123 0.000) 20.839 9.812 ( 3.483 0.188 0.000) 3.488 10.081 ( 1.702 -5.623 0.000) 5.875 10.214 ( -2.754 -0.862 0.000) 2.886 10.299 ( -0.060 3.257 0.000) 3.258 10.395 ( -8.089 4.973 0.000) 9.495 10.782 ( 4.195 -6.443 0.000) 7.688 10.856 ( -1.085 -1.842 0.000) 2.138 10.902 ( -4.355 -1.708 0.000) 4.678 11.244 ( 9.032 -2.507 0.000) 9.374 11.332 ( 2.608 4.802 0.000) 5.464 11.703 ( -27.443 6.323 0.000) 28.162 12.038 ( -4.652 -2.518 0.000) 5.290 12.225 ( -5.491 2.949 0.000) 6.232 12.566 ( -2.921 -14.911 0.000) 15.194 12.570 ( -0.597 -7.040 0.000) 7.065 12.773 ( -2.022 -7.245 0.000) 7.522 12.849 ( 4.268 5.311 0.000) 6.813 12.887 ( -9.291 1.082 0.000) 9.354 12.978 ( 2.841 7.796 0.000) 8.298 13.660 ( -2.236 0.642 0.000) 2.326 13.709 ( -3.695 -2.485 0.000) 4.453 13.912 ( 3.076 -2.887 0.000) 4.219 14.049 ( 0.275 -5.629 0.000) 5.635 15.813 ( 4.507 6.539 0.000) 7.942 16.037 ( 0.529 0.449 0.000) 0.694 16.293 ( 2.441 -3.097 0.000) 3.943 16.480 ( -4.511 2.230 0.000) 5.032 17.479 ( 2.939 -9.325 0.000) 9.778 17.592 ( -0.658 -8.212 0.000) 8.238 17.798 ( 1.223 -8.598 0.000) 8.685 17.997 ( -4.866 -11.212 0.000) 12.222 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 19.428 12.846 0.000) 23.291 1.209 ( 24.563 11.262 0.000) 27.021 1.547 ( -15.956 6.940 0.000) 17.400 1.681 ( -20.646 12.904 0.000) 24.347 1.987 ( 27.945 25.478 0.000) 37.816 2.183 ( 3.753 18.819 0.000) 19.189 2.223 ( 2.594 8.628 0.000) 9.010 2.283 ( -2.303 15.130 0.000) 15.304 2.323 ( -0.699 9.254 0.000) 9.280 2.491 ( 5.714 12.548 0.000) 13.788 2.515 ( -14.293 5.128 0.000) 15.185 2.637 ( 11.968 4.236 0.000) 12.695 2.646 ( -9.575 11.510 0.000) 14.972 2.711 ( 2.709 11.733 0.000) 12.042 2.744 ( -2.704 11.356 0.000) 11.673 2.901 ( 1.115 9.560 0.000) 9.625 2.982 ( -7.347 13.688 0.000) 15.536 3.010 ( -3.193 14.437 0.000) 14.786 3.124 ( -0.711 3.266 0.000) 3.342 3.212 ( -4.463 3.648 0.000) 5.765 3.320 ( 2.210 16.639 0.000) 16.785 3.371 ( -2.567 16.429 0.000) 16.628 3.563 ( 10.942 1.234 0.000) 11.011 3.759 ( 4.436 -3.958 0.000) 5.945 3.953 ( -2.752 -0.153 0.000) 2.756 4.255 ( -19.914 -1.758 0.000) 19.991 4.409 ( 10.182 1.998 0.000) 10.377 4.620 ( -6.117 0.790 0.000) 6.167 4.684 ( 9.393 -3.348 0.000) 9.972 4.725 ( 5.430 -0.577 0.000) 5.460 4.978 ( -2.572 -3.481 0.000) 4.328 5.009 ( -12.551 -1.933 0.000) 12.699 5.328 ( 0.892 -6.111 0.000) 6.175 5.351 ( -0.456 -7.147 0.000) 7.162 5.836 ( 6.153 -1.903 0.000) 6.441 5.918 ( -1.498 -1.303 0.000) 1.985 5.995 ( 6.348 -2.449 0.000) 6.803 6.127 ( -8.224 -2.834 0.000) 8.699 6.417 ( 14.529 -3.129 0.000) 14.862 6.691 ( -11.561 -4.941 0.000) 12.573 7.846 ( 0.054 21.287 0.000) 21.287 7.888 ( -4.463 26.939 0.000) 27.306 8.095 ( 1.227 -3.204 0.000) 3.431 8.115 ( -0.669 1.221 0.000) 1.392 8.250 ( 1.707 2.429 0.000) 2.969 8.288 ( -1.324 1.101 0.000) 1.722 8.392 ( 8.345 1.657 0.000) 8.508 8.562 ( -7.149 2.070 0.000) 7.443 8.828 ( 8.256 14.293 0.000) 16.506 8.978 ( -4.988 12.703 0.000) 13.647 9.064 ( 3.546 12.293 0.000) 12.794 9.166 ( -5.255 9.152 0.000) 10.554 9.866 ( 22.384 -2.977 0.000) 22.581 9.943 ( 8.601 0.284 0.000) 8.606 10.096 ( -2.184 -2.639 0.000) 3.426 10.157 ( -4.932 -1.749 0.000) 5.233 10.259 ( -3.444 3.114 0.000) 4.644 10.270 ( -2.285 3.054 0.000) 3.814 10.815 ( -0.623 4.674 0.000) 4.715 10.843 ( -1.924 -4.586 0.000) 4.973 10.843 ( 3.179 -7.159 0.000) 7.833 11.080 ( -21.642 3.270 0.000) 21.888 11.483 ( 10.593 2.256 0.000) 10.831 11.531 ( 7.017 0.205 0.000) 7.020 11.917 ( -5.745 -1.830 0.000) 6.030 11.993 ( -13.814 2.805 0.000) 14.096 12.541 ( 0.256 -12.097 0.000) 12.099 12.555 ( -0.862 -8.451 0.000) 8.495 12.754 ( 0.236 -10.048 0.000) 10.051 12.781 ( -2.639 -7.774 0.000) 8.210 12.952 ( 4.778 7.061 0.000) 8.525 13.008 ( -0.460 9.557 0.000) 9.568 13.627 ( -0.561 -1.285 0.000) 1.402 13.645 ( -2.285 -1.340 0.000) 2.649 13.978 ( 3.180 -2.388 0.000) 3.977 14.031 ( -1.935 -3.170 0.000) 3.714 15.933 ( 6.174 3.519 0.000) 7.107 16.023 ( -2.479 1.436 0.000) 2.864 16.352 ( 3.095 -1.922 0.000) 3.643 16.411 ( -2.878 0.046 0.000) 2.879 17.528 ( 2.219 -8.715 0.000) 8.993 17.569 ( -1.704 -8.346 0.000) 8.518 17.830 ( 2.117 -8.914 0.000) 9.162 17.895 ( -4.523 -9.889 0.000) 10.874 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 25.369 0.000) 25.369 1.167 ( 0.000 27.572 0.000) 27.572 1.935 ( 0.000 7.429 0.000) 7.429 1.973 ( 0.000 12.665 0.000) 12.665 2.241 ( 0.000 54.091 0.000) 54.091 2.279 ( 0.000 3.520 0.000) 3.520 2.445 ( 0.000 14.170 0.000) 14.170 2.587 ( 0.000 7.002 0.000) 7.002 2.647 ( 0.000 18.851 0.000) 18.851 2.688 ( 0.000 1.509 0.000) 1.509 2.775 ( 0.000 16.545 0.000) 16.545 2.851 ( 0.000 14.077 0.000) 14.077 2.945 ( 0.000 24.863 0.000) 24.863 3.028 ( 0.000 12.299 0.000) 12.299 3.093 ( 0.000 20.335 0.000) 20.335 3.107 ( 0.000 0.905 0.000) 0.905 3.163 ( 0.000 18.352 0.000) 18.352 3.281 ( 0.000 25.905 0.000) 25.905 3.401 ( 0.000 7.939 0.000) 7.939 3.407 ( 0.000 16.863 0.000) 16.863 3.619 ( 0.000 1.408 0.000) 1.408 3.628 ( 0.000 15.268 0.000) 15.268 3.895 ( 0.000 27.162 0.000) 27.162 3.947 ( 0.000 22.195 0.000) 22.195 4.052 ( 0.000 6.363 0.000) 6.363 4.408 ( 0.000 9.460 0.000) 9.460 4.428 ( 0.000 6.740 0.000) 6.740 4.459 ( 0.000 5.743 0.000) 5.743 4.700 ( 0.000 -5.008 0.000) 5.008 4.787 ( 0.000 -2.921 0.000) 2.921 4.796 ( 0.000 -4.443 0.000) 4.443 5.247 ( 0.000 -2.735 0.000) 2.735 5.312 ( 0.000 -1.665 0.000) 1.665 5.595 ( 0.000 0.543 0.000) 0.543 5.605 ( 0.000 -5.241 0.000) 5.241 5.733 ( 0.000 -6.171 0.000) 6.171 5.781 ( 0.000 -0.456 0.000) 0.456 5.911 ( 0.000 0.946 0.000) 0.946 6.417 ( 0.000 -3.118 0.000) 3.118 6.607 ( 0.000 -12.088 0.000) 12.088 7.837 ( 0.000 -3.995 0.000) 3.995 7.982 ( 0.000 -3.312 0.000) 3.312 8.157 ( 0.000 -5.237 0.000) 5.237 8.255 ( 0.000 -4.414 0.000) 4.414 8.298 ( 0.000 4.247 0.000) 4.247 8.415 ( 0.000 1.894 0.000) 1.894 8.451 ( 0.000 19.780 0.000) 19.780 8.656 ( 0.000 11.176 0.000) 11.176 9.146 ( 0.000 25.046 0.000) 25.046 9.171 ( 0.000 4.463 0.000) 4.463 9.278 ( 0.000 17.827 0.000) 17.827 9.517 ( 0.000 7.352 0.000) 7.352 9.541 ( 0.000 24.114 0.000) 24.114 9.793 ( 0.000 1.455 0.000) 1.455 9.970 ( 0.000 -2.455 0.000) 2.455 10.299 ( 0.000 0.286 0.000) 0.286 10.309 ( 0.000 3.561 0.000) 3.561 10.506 ( 0.000 -9.008 0.000) 9.008 10.700 ( 0.000 -8.725 0.000) 8.725 10.745 ( 0.000 14.083 0.000) 14.083 10.984 ( 0.000 1.110 0.000) 1.110 11.097 ( 0.000 -1.163 0.000) 1.163 11.463 ( 0.000 6.562 0.000) 6.562 11.915 ( 0.000 -8.288 0.000) 8.288 12.038 ( 0.000 -1.997 0.000) 1.997 12.242 ( 0.000 -1.499 0.000) 1.499 12.268 ( 0.000 -11.506 0.000) 11.506 12.400 ( 0.000 -9.654 0.000) 9.654 12.732 ( 0.000 -4.636 0.000) 4.636 13.009 ( 0.000 1.983 0.000) 1.983 13.011 ( 0.000 10.839 0.000) 10.839 13.132 ( 0.000 1.225 0.000) 1.225 13.560 ( 0.000 -14.434 0.000) 14.434 13.711 ( 0.000 -1.661 0.000) 1.661 13.759 ( 0.000 -7.556 0.000) 7.556 13.820 ( 0.000 -12.978 0.000) 12.978 15.887 ( 0.000 3.562 0.000) 3.562 16.033 ( 0.000 0.432 0.000) 0.432 16.182 ( 0.000 -4.776 0.000) 4.776 16.510 ( 0.000 -4.121 0.000) 4.121 17.239 ( 0.000 -11.639 0.000) 11.639 17.372 ( 0.000 -14.465 0.000) 14.465 17.548 ( 0.000 -15.195 0.000) 15.195 17.739 ( 0.000 -19.266 0.000) 19.266 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 9.799 22.397 0.000) 24.447 1.262 ( 8.938 24.546 0.000) 26.123 1.887 ( -2.573 9.180 0.000) 9.534 2.153 ( 11.606 9.999 0.000) 15.319 2.251 ( -4.747 7.283 0.000) 8.694 2.400 ( 14.405 46.187 0.000) 48.381 2.400 ( -11.686 9.744 0.000) 15.216 2.519 ( 2.938 14.803 0.000) 15.092 2.577 ( 1.013 6.625 0.000) 6.702 2.737 ( 3.270 10.559 0.000) 11.053 2.749 ( -2.293 16.002 0.000) 16.166 2.903 ( -1.336 8.199 0.000) 8.307 2.906 ( -4.470 25.062 0.000) 25.458 3.024 ( -2.316 15.206 0.000) 15.382 3.075 ( 4.662 14.209 0.000) 14.954 3.119 ( -3.223 19.983 0.000) 20.241 3.248 ( 9.120 6.336 0.000) 11.105 3.249 ( -0.851 16.514 0.000) 16.536 3.395 ( -1.191 17.586 0.000) 17.626 3.471 ( 4.536 15.659 0.000) 16.303 3.574 ( -5.600 14.531 0.000) 15.573 3.623 ( 1.758 4.787 0.000) 5.099 3.864 ( -5.906 26.348 0.000) 27.002 3.867 ( -3.449 25.824 0.000) 26.054 4.048 ( -1.996 0.825 0.000) 2.159 4.403 ( -0.287 7.616 0.000) 7.622 4.479 ( 2.255 5.410 0.000) 5.861 4.521 ( 5.727 4.562 0.000) 7.321 4.646 ( -7.881 -0.961 0.000) 7.940 4.771 ( -3.742 -2.309 0.000) 4.397 4.792 ( 7.864 -3.544 0.000) 8.625 5.190 ( -7.380 -6.408 0.000) 9.774 5.292 ( -2.533 -2.695 0.000) 3.699 5.357 ( -12.258 0.605 0.000) 12.273 5.657 ( 4.955 -4.350 0.000) 6.594 5.806 ( 8.216 -0.294 0.000) 8.221 5.911 ( -0.214 -0.116 0.000) 0.243 6.046 ( 14.807 -4.798 0.000) 15.565 6.267 ( -10.378 -3.111 0.000) 10.834 6.653 ( 0.419 -10.071 0.000) 10.080 7.933 ( 7.324 -4.582 0.000) 8.639 7.951 ( -1.427 -4.313 0.000) 4.543 8.165 ( -5.814 -3.261 0.000) 6.667 8.245 ( 6.942 -1.190 0.000) 7.044 8.319 ( 1.178 2.717 0.000) 2.961 8.409 ( 0.582 7.823 0.000) 7.844 8.443 ( -0.629 19.412 0.000) 19.422 8.708 ( 0.934 6.852 0.000) 6.915 9.151 ( 0.845 24.793 0.000) 24.807 9.274 ( 0.753 16.965 0.000) 16.982 9.328 ( 11.022 5.692 0.000) 12.405 9.453 ( -4.485 7.025 0.000) 8.335 9.543 ( 2.810 19.810 0.000) 20.008 9.840 ( 4.300 3.552 0.000) 5.577 10.007 ( 3.355 -1.539 0.000) 3.691 10.222 ( -3.307 1.483 0.000) 3.624 10.363 ( 0.830 3.197 0.000) 3.303 10.408 ( -7.395 -3.953 0.000) 8.386 10.654 ( 0.300 -4.644 0.000) 4.654 10.899 ( -6.220 0.969 0.000) 6.295 10.910 ( 8.186 8.108 0.000) 11.522 11.174 ( 5.436 -4.386 0.000) 6.985 11.424 ( -1.858 3.955 0.000) 4.370 11.713 ( -17.555 -2.974 0.000) 17.805 11.981 ( -5.160 -2.831 0.000) 5.886 12.243 ( -1.793 -0.341 0.000) 1.825 12.282 ( 0.752 -9.917 0.000) 9.945 12.430 ( 2.475 -7.456 0.000) 7.856 12.634 ( -6.952 -5.656 0.000) 8.962 12.887 ( -14.537 0.842 0.000) 14.561 13.040 ( -0.248 9.811 0.000) 9.815 13.105 ( 6.476 3.916 0.000) 7.568 13.554 ( -0.367 -12.318 0.000) 12.324 13.622 ( -5.572 -4.916 0.000) 7.431 13.818 ( 3.046 -6.921 0.000) 7.562 13.871 ( 2.777 -12.123 0.000) 12.437 15.921 ( 3.289 3.685 0.000) 4.939 16.049 ( 1.183 0.768 0.000) 1.411 16.215 ( 3.143 -4.572 0.000) 5.548 16.468 ( -3.609 -2.909 0.000) 4.635 17.259 ( 1.709 -13.004 0.000) 13.116 17.366 ( -0.667 -14.426 0.000) 14.441 17.562 ( 1.175 -15.088 0.000) 15.133 17.700 ( -3.468 -18.406 0.000) 18.729 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 21.195 14.345 0.000) 25.593 1.491 ( 13.014 18.600 0.000) 22.701 1.745 ( -11.154 12.900 0.000) 17.054 1.916 ( -22.568 10.786 0.000) 25.013 2.382 ( 4.792 6.868 0.000) 8.374 2.402 ( 10.515 9.618 0.000) 14.250 2.518 ( -0.887 12.513 0.000) 12.545 2.586 ( 1.098 14.614 0.000) 14.655 2.710 ( 1.034 12.114 0.000) 12.158 2.729 ( -3.272 15.814 0.000) 16.149 2.794 ( -3.109 23.354 0.000) 23.560 2.826 ( -5.341 9.873 0.000) 11.225 2.855 ( 18.934 27.497 0.000) 33.386 3.013 ( 1.094 17.179 0.000) 17.214 3.042 ( -3.187 17.914 0.000) 18.196 3.159 ( -1.010 16.059 0.000) 16.091 3.279 ( 1.520 12.658 0.000) 12.749 3.340 ( -2.499 13.486 0.000) 13.715 3.385 ( 0.814 17.834 0.000) 17.852 3.389 ( -5.920 24.419 0.000) 25.127 3.575 ( 5.122 10.739 0.000) 11.897 3.711 ( -3.406 4.050 0.000) 5.292 3.777 ( 4.001 17.518 0.000) 17.969 3.813 ( 0.790 25.049 0.000) 25.062 3.984 ( -0.120 6.586 0.000) 6.587 4.223 ( -18.749 -1.085 0.000) 18.780 4.482 ( 7.575 5.824 0.000) 9.555 4.649 ( -7.523 1.825 0.000) 7.741 4.668 ( 8.329 2.796 0.000) 8.786 4.740 ( 6.129 3.553 0.000) 7.085 4.922 ( 2.608 -1.666 0.000) 3.095 4.965 ( -9.578 -2.378 0.000) 9.869 5.215 ( -3.482 -5.307 0.000) 6.348 5.223 ( -3.439 -4.619 0.000) 5.759 5.787 ( 6.483 -3.414 0.000) 7.327 5.884 ( -2.963 -2.198 0.000) 3.690 5.956 ( 6.564 -0.962 0.000) 6.634 6.086 ( -7.241 -1.324 0.000) 7.361 6.334 ( 13.668 -5.402 0.000) 14.697 6.568 ( -8.760 -7.604 0.000) 11.600 7.947 ( 0.955 -4.434 0.000) 4.535 7.984 ( -2.165 -4.686 0.000) 5.162 8.176 ( 6.297 -0.832 0.000) 6.352 8.292 ( -4.132 0.932 0.000) 4.236 8.403 ( 6.989 8.639 0.000) 11.112 8.431 ( 0.922 15.073 0.000) 15.101 8.453 ( 3.139 11.857 0.000) 12.265 8.619 ( -8.776 2.961 0.000) 9.262 9.203 ( 4.199 22.245 0.000) 22.638 9.271 ( -1.329 16.082 0.000) 16.136 9.381 ( -2.091 18.100 0.000) 18.221 9.384 ( -2.208 11.235 0.000) 11.449 9.838 ( 19.515 1.228 0.000) 19.554 9.950 ( 5.472 0.671 0.000) 5.513 10.064 ( 0.894 -0.498 0.000) 1.023 10.151 ( -5.559 1.487 0.000) 5.755 10.298 ( -1.888 1.339 0.000) 2.314 10.332 ( -3.321 3.777 0.000) 5.029 10.704 ( 4.906 -5.117 0.000) 7.089 10.799 ( -3.549 -0.741 0.000) 3.626 10.969 ( -0.636 9.400 0.000) 9.422 11.105 ( -14.291 -1.106 0.000) 14.333 11.490 ( 6.557 -1.767 0.000) 6.791 11.504 ( 1.775 -1.884 0.000) 2.588 11.887 ( -1.150 -0.482 0.000) 1.247 12.056 ( -14.397 3.115 0.000) 14.730 12.343 ( 4.613 -5.713 0.000) 7.343 12.442 ( -3.726 -2.590 0.000) 4.538 12.549 ( 1.234 -9.528 0.000) 9.608 12.643 ( -7.833 -5.646 0.000) 9.656 13.110 ( 5.394 8.363 0.000) 9.951 13.182 ( -0.110 7.787 0.000) 7.788 13.537 ( -1.971 -8.503 0.000) 8.728 13.539 ( -1.093 -9.633 0.000) 9.695 13.868 ( 1.971 -9.184 0.000) 9.393 13.894 ( -0.388 -10.935 0.000) 10.942 16.002 ( 4.028 2.861 0.000) 4.941 16.056 ( -1.045 1.670 0.000) 1.970 16.295 ( 4.479 -3.870 0.000) 5.919 16.385 ( -4.437 -2.841 0.000) 5.269 17.299 ( 2.200 -14.135 0.000) 14.305 17.342 ( -1.817 -14.391 0.000) 14.506 17.588 ( 1.432 -15.325 0.000) 15.392 17.629 ( -2.948 -16.584 0.000) 16.844 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 21.592 0.000) 21.592 1.667 ( 0.000 23.391 0.000) 23.391 2.093 ( 0.000 9.025 0.000) 9.025 2.258 ( 0.000 15.888 0.000) 15.888 2.346 ( 0.000 2.931 0.000) 2.931 2.521 ( 0.000 0.042 0.000) 0.042 2.686 ( 0.000 4.238 0.000) 4.238 2.744 ( 0.000 4.767 0.000) 4.767 3.031 ( 0.000 5.670 0.000) 5.670 3.033 ( 0.000 3.145 0.000) 3.145 3.097 ( 0.000 14.758 0.000) 14.758 3.113 ( 0.000 18.415 0.000) 18.415 3.179 ( 0.000 3.561 0.000) 3.561 3.297 ( 0.000 43.749 0.000) 43.749 3.451 ( 0.000 18.708 0.000) 18.708 3.496 ( 0.000 19.553 0.000) 19.553 3.497 ( 0.000 18.870 0.000) 18.870 3.547 ( 0.000 4.919 0.000) 4.919 3.711 ( 0.000 19.442 0.000) 19.442 3.778 ( 0.000 23.036 0.000) 23.036 3.836 ( 0.000 17.067 0.000) 17.067 4.014 ( 0.000 24.439 0.000) 24.439 4.155 ( 0.000 4.844 0.000) 4.844 4.454 ( 0.000 26.226 0.000) 26.226 4.469 ( 0.000 29.459 0.000) 29.459 4.531 ( 0.000 -4.717 0.000) 4.717 4.582 ( 0.000 6.039 0.000) 6.039 4.663 ( 0.000 16.693 0.000) 16.693 4.697 ( 0.000 11.550 0.000) 11.550 4.707 ( 0.000 -3.266 0.000) 3.266 4.780 ( 0.000 4.335 0.000) 4.335 5.231 ( 0.000 0.908 0.000) 0.908 5.284 ( 0.000 -0.163 0.000) 0.163 5.511 ( 0.000 -2.594 0.000) 2.594 5.517 ( 0.000 -5.854 0.000) 5.854 5.748 ( 0.000 5.846 0.000) 5.846 5.781 ( 0.000 0.413 0.000) 0.413 5.921 ( 0.000 -0.046 0.000) 0.046 6.371 ( 0.000 -1.535 0.000) 1.535 6.374 ( 0.000 -11.110 0.000) 11.110 7.780 ( 0.000 -1.705 0.000) 1.705 7.879 ( 0.000 -5.468 0.000) 5.468 8.063 ( 0.000 -3.983 0.000) 3.983 8.160 ( 0.000 -4.440 0.000) 4.440 8.376 ( 0.000 3.210 0.000) 3.210 8.451 ( 0.000 1.567 0.000) 1.567 8.731 ( 0.000 8.145 0.000) 8.145 8.842 ( 0.000 6.743 0.000) 6.743 9.313 ( 0.000 8.351 0.000) 8.351 9.499 ( 0.000 0.246 0.000) 0.246 9.533 ( 0.000 8.695 0.000) 8.695 9.606 ( 0.000 11.424 0.000) 11.424 9.860 ( 0.000 5.638 0.000) 5.638 9.966 ( 0.000 1.898 0.000) 1.898 10.049 ( 0.000 24.502 0.000) 24.502 10.255 ( 0.000 -4.938 0.000) 4.938 10.322 ( 0.000 -9.478 0.000) 9.478 10.426 ( 0.000 8.184 0.000) 8.184 10.648 ( 0.000 5.042 0.000) 5.042 11.045 ( 0.000 5.229 0.000) 5.229 11.057 ( 0.000 17.064 0.000) 17.064 11.073 ( 0.000 -1.815 0.000) 1.815 11.560 ( 0.000 3.317 0.000) 3.317 11.755 ( 0.000 -7.797 0.000) 7.797 12.022 ( 0.000 0.658 0.000) 0.658 12.191 ( 0.000 -4.230 0.000) 4.230 12.228 ( 0.000 7.375 0.000) 7.375 12.233 ( 0.000 -6.726 0.000) 6.726 12.630 ( 0.000 -5.574 0.000) 5.574 12.955 ( 0.000 -8.642 0.000) 8.642 13.114 ( 0.000 -8.044 0.000) 8.044 13.199 ( 0.000 7.058 0.000) 7.058 13.252 ( 0.000 -11.408 0.000) 11.408 13.577 ( 0.000 -9.923 0.000) 9.923 13.601 ( 0.000 -9.756 0.000) 9.756 13.608 ( 0.000 -7.214 0.000) 7.214 15.902 ( 0.000 -1.870 0.000) 1.870 16.048 ( 0.000 1.308 0.000) 1.308 16.098 ( 0.000 -3.558 0.000) 3.558 16.417 ( 0.000 -5.336 0.000) 5.336 16.984 ( 0.000 -14.075 0.000) 14.075 17.055 ( 0.000 -17.502 0.000) 17.502 17.214 ( 0.000 -18.411 0.000) 18.411 17.341 ( 0.000 -20.517 0.000) 20.517 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 5.463 20.887 0.000) 21.590 1.719 ( 5.034 21.755 0.000) 22.330 2.085 ( -0.500 10.351 0.000) 10.363 2.365 ( 8.708 12.427 0.000) 15.174 2.368 ( 3.059 4.211 0.000) 5.204 2.495 ( -14.195 2.845 0.000) 14.478 2.652 ( 4.444 4.131 0.000) 6.068 2.653 ( -1.203 4.273 0.000) 4.439 2.990 ( -5.076 6.963 0.000) 8.616 2.992 ( -8.077 8.400 0.000) 11.654 3.114 ( 5.176 6.555 0.000) 8.352 3.141 ( 2.398 12.618 0.000) 12.844 3.219 ( 3.481 5.300 0.000) 6.341 3.390 ( 2.999 34.539 0.000) 34.669 3.398 ( -0.427 26.774 0.000) 26.778 3.508 ( 5.154 16.673 0.000) 17.452 3.513 ( -2.200 20.630 0.000) 20.746 3.600 ( -2.307 18.776 0.000) 18.917 3.621 ( 3.623 8.213 0.000) 8.977 3.853 ( 1.750 16.620 0.000) 16.712 3.908 ( 6.470 23.994 0.000) 24.851 3.960 ( -4.597 23.280 0.000) 23.729 4.078 ( -7.303 4.486 0.000) 8.571 4.395 ( -3.448 23.475 0.000) 23.727 4.399 ( -5.124 23.046 0.000) 23.609 4.527 ( -9.768 3.586 0.000) 10.406 4.558 ( 1.816 3.616 0.000) 4.047 4.686 ( 2.072 1.384 0.000) 2.492 4.701 ( 4.145 15.756 0.000) 16.292 4.784 ( 0.769 6.324 0.000) 6.371 4.823 ( 8.908 10.715 0.000) 13.935 5.126 ( -8.987 1.483 0.000) 9.108 5.249 ( -3.781 -0.496 0.000) 3.813 5.403 ( -8.864 5.213 0.000) 10.283 5.546 ( 5.956 -6.515 0.000) 8.827 5.844 ( 6.971 4.068 0.000) 8.071 5.900 ( -2.209 -1.173 0.000) 2.501 5.954 ( 12.578 -4.497 0.000) 13.358 6.215 ( -7.877 -2.395 0.000) 8.233 6.460 ( 1.040 -8.925 0.000) 8.985 7.853 ( 5.892 -3.120 0.000) 6.667 7.858 ( -0.641 -3.941 0.000) 3.993 8.102 ( -3.914 -2.668 0.000) 4.737 8.177 ( 9.246 -4.501 0.000) 10.283 8.359 ( -1.980 1.152 0.000) 2.291 8.512 ( 5.853 3.445 0.000) 6.791 8.736 ( 0.437 9.770 0.000) 9.780 8.825 ( -4.171 3.736 0.000) 5.600 9.455 ( 12.901 6.645 0.000) 14.512 9.464 ( -0.214 0.053 0.000) 0.220 9.536 ( 0.599 9.525 0.000) 9.544 9.596 ( -0.144 13.950 0.000) 13.951 9.896 ( -4.310 9.679 0.000) 10.595 9.951 ( 5.212 7.304 0.000) 8.973 10.088 ( 0.610 9.429 0.000) 9.449 10.220 ( -1.934 -2.948 0.000) 3.526 10.310 ( 0.778 -0.884 0.000) 1.177 10.458 ( 1.709 7.511 0.000) 7.703 10.640 ( -0.465 3.890 0.000) 3.918 10.932 ( -7.189 1.779 0.000) 7.406 11.088 ( -1.637 -4.105 0.000) 4.419 11.146 ( 6.202 14.016 0.000) 15.327 11.476 ( -6.162 1.744 0.000) 6.404 11.642 ( -9.209 -3.317 0.000) 9.788 11.946 ( -5.287 -0.449 0.000) 5.306 12.211 ( 0.145 -1.824 0.000) 1.830 12.264 ( 3.464 6.616 0.000) 7.468 12.300 ( 5.121 -4.833 0.000) 7.041 12.565 ( -5.045 -1.762 0.000) 5.344 12.899 ( -19.014 -0.349 0.000) 19.017 13.063 ( 8.622 -9.744 0.000) 13.011 13.120 ( 1.057 -8.063 0.000) 8.132 13.350 ( 2.174 -1.690 0.000) 2.753 13.500 ( -6.796 -6.572 0.000) 9.454 13.612 ( 2.061 -12.752 0.000) 12.918 13.641 ( 0.451 -10.805 0.000) 10.814 15.943 ( 3.738 -1.318 0.000) 3.963 16.067 ( 1.402 0.891 0.000) 1.661 16.131 ( 3.114 -3.600 0.000) 4.760 16.388 ( -2.819 -4.906 0.000) 5.659 16.981 ( 0.066 -15.132 0.000) 15.132 17.050 ( -0.565 -17.420 0.000) 17.429 17.233 ( 1.524 -17.908 0.000) 17.973 17.317 ( -1.998 -19.773 0.000) 19.874 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 13.550 15.464 0.000) 20.560 1.851 ( 7.237 17.334 0.000) 18.784 2.020 ( -5.918 14.379 0.000) 15.550 2.121 ( -18.916 10.527 0.000) 21.648 2.494 ( 8.298 4.787 0.000) 9.580 2.578 ( 11.205 7.866 0.000) 13.690 2.641 ( -3.192 5.793 0.000) 6.614 2.725 ( -1.396 4.509 0.000) 4.720 2.839 ( -3.549 3.276 0.000) 4.830 2.882 ( -5.036 3.811 0.000) 6.315 3.174 ( 1.640 15.099 0.000) 15.188 3.198 ( 1.613 11.324 0.000) 11.438 3.312 ( -0.937 18.245 0.000) 18.269 3.336 ( 8.627 4.037 0.000) 9.525 3.389 ( -6.481 16.631 0.000) 17.849 3.519 ( -6.010 9.390 0.000) 11.149 3.581 ( 8.085 30.393 0.000) 31.450 3.640 ( 2.139 21.440 0.000) 21.546 3.730 ( 5.827 15.608 0.000) 16.660 3.836 ( -6.454 22.363 0.000) 23.275 3.918 ( 5.035 15.134 0.000) 15.950 3.975 ( 2.348 12.622 0.000) 12.838 3.983 ( -0.770 26.150 0.000) 26.161 4.223 ( -15.727 2.038 0.000) 15.859 4.329 ( -2.506 25.349 0.000) 25.473 4.345 ( -2.158 22.426 0.000) 22.530 4.609 ( 3.285 4.531 0.000) 5.596 4.678 ( -3.030 1.422 0.000) 3.348 4.812 ( 6.505 11.433 0.000) 13.154 4.884 ( 7.912 4.822 0.000) 9.266 4.955 ( -7.350 8.437 0.000) 11.190 4.978 ( 3.921 10.007 0.000) 10.748 5.148 ( -3.661 0.646 0.000) 3.717 5.227 ( -8.078 6.651 0.000) 10.463 5.696 ( 7.721 -5.709 0.000) 9.602 5.827 ( -5.128 -3.632 0.000) 6.284 5.971 ( 5.621 2.555 0.000) 6.174 6.079 ( -5.657 0.696 0.000) 5.700 6.208 ( 11.913 -7.329 0.000) 13.986 6.401 ( -6.760 -9.021 0.000) 11.273 7.869 ( 1.539 -2.701 0.000) 3.108 7.908 ( -1.456 -2.852 0.000) 3.202 8.121 ( 6.507 -3.017 0.000) 7.173 8.262 ( -5.756 -2.841 0.000) 6.419 8.406 ( 11.304 -2.184 0.000) 11.513 8.641 ( -3.037 2.774 0.000) 4.113 8.658 ( -2.329 4.566 0.000) 5.126 8.733 ( -1.598 10.530 0.000) 10.651 9.533 ( 5.385 3.735 0.000) 6.554 9.557 ( 1.647 11.774 0.000) 11.889 9.596 ( 0.046 15.325 0.000) 15.325 9.646 ( -0.886 6.831 0.000) 6.888 9.917 ( 7.905 5.467 0.000) 9.611 9.982 ( -1.213 2.428 0.000) 2.714 10.079 ( 2.797 1.334 0.000) 3.099 10.201 ( -2.351 3.237 0.000) 4.000 10.379 ( 4.694 9.270 0.000) 10.391 10.456 ( -2.314 9.312 0.000) 9.596 10.650 ( 2.467 -0.594 0.000) 2.537 10.777 ( -8.885 -1.882 0.000) 9.082 11.027 ( -1.052 -6.187 0.000) 6.276 11.120 ( -7.851 3.951 0.000) 8.789 11.472 ( 3.767 2.400 0.000) 4.467 11.510 ( -2.443 2.782 0.000) 3.702 11.911 ( 4.718 2.913 0.000) 5.544 12.115 ( -10.650 3.291 0.000) 11.146 12.351 ( 4.927 5.576 0.000) 7.441 12.407 ( 5.425 -4.245 0.000) 6.888 12.459 ( -5.152 3.439 0.000) 6.195 12.565 ( -11.739 -2.562 0.000) 12.015 13.193 ( 6.127 -6.924 0.000) 9.246 13.234 ( 7.394 -10.171 0.000) 12.574 13.343 ( -2.825 -3.752 0.000) 4.697 13.346 ( -8.093 -4.060 0.000) 9.054 13.633 ( 0.239 -14.242 0.000) 14.244 13.638 ( -0.395 -13.076 0.000) 13.082 16.027 ( 3.971 -0.396 0.000) 3.991 16.078 ( -0.848 0.316 0.000) 0.905 16.213 ( 4.830 -3.986 0.000) 6.262 16.311 ( -4.630 -4.333 0.000) 6.341 16.995 ( 1.335 -16.588 0.000) 16.642 17.028 ( -1.623 -17.242 0.000) 17.318 17.260 ( 1.008 -17.522 0.000) 17.551 17.280 ( -1.373 -18.260 0.000) 18.312 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 16.731 0.000) 16.731 2.072 ( 0.000 17.909 0.000) 17.909 2.283 ( 0.000 10.214 0.000) 10.214 2.391 ( 0.000 1.946 0.000) 1.946 2.514 ( 0.000 -0.419 0.000) 0.419 2.566 ( 0.000 15.080 0.000) 15.080 2.764 ( 0.000 3.845 0.000) 3.845 2.880 ( 0.000 8.983 0.000) 8.983 3.016 ( 0.000 -2.020 0.000) 2.020 3.049 ( 0.000 -1.368 0.000) 1.368 3.218 ( 0.000 1.440 0.000) 1.440 3.343 ( 0.000 11.133 0.000) 11.133 3.372 ( 0.000 7.906 0.000) 7.906 3.487 ( 0.000 -1.814 0.000) 1.814 3.770 ( 0.000 9.001 0.000) 9.001 3.803 ( 0.000 10.291 0.000) 10.291 3.846 ( 0.000 13.339 0.000) 13.339 4.013 ( 0.000 9.505 0.000) 9.505 4.118 ( 0.000 9.813 0.000) 9.813 4.125 ( 0.000 25.737 0.000) 25.737 4.197 ( 0.000 16.019 0.000) 16.019 4.269 ( 0.000 8.311 0.000) 8.311 4.461 ( 0.000 15.298 0.000) 15.298 4.472 ( 0.000 11.889 0.000) 11.889 4.656 ( 0.000 7.530 0.000) 7.530 4.679 ( 0.000 7.435 0.000) 7.435 4.884 ( 0.000 5.495 0.000) 5.495 4.941 ( 0.000 9.748 0.000) 9.748 4.977 ( 0.000 21.572 0.000) 21.572 4.988 ( 0.000 14.194 0.000) 14.194 5.059 ( 0.000 26.787 0.000) 26.787 5.191 ( 0.000 -5.003 0.000) 5.003 5.414 ( 0.000 15.889 0.000) 15.889 5.464 ( 0.000 1.853 0.000) 1.853 5.631 ( 0.000 14.100 0.000) 14.100 5.801 ( 0.000 2.607 0.000) 2.607 5.908 ( 0.000 10.487 0.000) 10.487 5.919 ( 0.000 1.007 0.000) 1.007 6.200 ( 0.000 -6.360 0.000) 6.360 6.354 ( 0.000 -0.327 0.000) 0.327 7.774 ( 0.000 1.036 0.000) 1.036 7.813 ( 0.000 -0.756 0.000) 0.756 8.019 ( 0.000 0.012 0.000) 0.012 8.100 ( 0.000 -1.594 0.000) 1.594 8.417 ( 0.000 1.079 0.000) 1.079 8.472 ( 0.000 0.725 0.000) 0.725 8.808 ( 0.000 0.926 0.000) 0.926 8.905 ( 0.000 -0.121 0.000) 0.121 9.403 ( 0.000 -4.732 0.000) 4.732 9.439 ( 0.000 4.209 0.000) 4.209 9.674 ( 0.000 6.959 0.000) 6.959 9.755 ( 0.000 0.999 0.000) 0.999 9.999 ( 0.000 6.340 0.000) 6.340 10.024 ( 0.000 3.302 0.000) 3.302 10.045 ( 0.000 -11.360 0.000) 11.360 10.125 ( 0.000 -6.077 0.000) 6.077 10.552 ( 0.000 18.788 0.000) 18.788 10.635 ( 0.000 13.111 0.000) 13.111 10.825 ( 0.000 11.208 0.000) 11.208 10.997 ( 0.000 -6.702 0.000) 6.702 11.155 ( 0.000 4.989 0.000) 4.989 11.338 ( 0.000 8.829 0.000) 8.829 11.619 ( 0.000 -6.113 0.000) 6.113 11.625 ( 0.000 5.426 0.000) 5.426 12.068 ( 0.000 -8.157 0.000) 8.157 12.076 ( 0.000 5.168 0.000) 5.168 12.145 ( 0.000 -3.119 0.000) 3.119 12.485 ( 0.000 15.299 0.000) 15.299 12.527 ( 0.000 -4.558 0.000) 4.558 12.683 ( 0.000 -17.315 0.000) 17.315 12.751 ( 0.000 -21.010 0.000) 21.010 13.217 ( 0.000 1.622 0.000) 1.622 13.218 ( 0.000 -3.720 0.000) 3.720 13.336 ( 0.000 -17.032 0.000) 17.032 13.475 ( 0.000 -7.073 0.000) 7.073 13.522 ( 0.000 3.102 0.000) 3.102 15.839 ( 0.000 -3.724 0.000) 3.724 16.045 ( 0.000 -2.066 0.000) 2.066 16.090 ( 0.000 3.117 0.000) 3.117 16.307 ( 0.000 -5.753 0.000) 5.753 16.710 ( 0.000 -13.463 0.000) 13.463 16.713 ( 0.000 -17.003 0.000) 17.003 16.857 ( 0.000 -17.518 0.000) 17.518 16.975 ( 0.000 -16.260 0.000) 16.260 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 4.209 16.777 0.000) 17.297 2.098 ( 2.421 16.775 0.000) 16.949 2.281 ( 0.338 9.834 0.000) 9.840 2.413 ( 2.634 1.232 0.000) 2.908 2.533 ( -3.501 0.813 0.000) 3.595 2.610 ( 2.889 11.250 0.000) 11.615 2.743 ( 0.535 5.306 0.000) 5.332 2.781 ( -0.623 9.205 0.000) 9.226 3.067 ( 0.134 0.512 0.000) 0.529 3.089 ( -5.037 4.395 0.000) 6.685 3.180 ( 3.124 -1.104 0.000) 3.313 3.210 ( -5.327 5.824 0.000) 7.893 3.402 ( 1.991 6.770 0.000) 7.057 3.554 ( 2.149 1.261 0.000) 2.492 3.768 ( -4.130 6.896 0.000) 8.038 3.806 ( 3.076 8.151 0.000) 8.712 3.823 ( -11.659 7.542 0.000) 13.886 3.921 ( 5.581 13.218 0.000) 14.348 4.074 ( -1.339 17.101 0.000) 17.154 4.164 ( -1.112 19.368 0.000) 19.400 4.270 ( 7.811 10.146 0.000) 12.805 4.385 ( 7.032 21.593 0.000) 22.709 4.387 ( -5.645 15.428 0.000) 16.428 4.492 ( 2.547 7.676 0.000) 8.088 4.505 ( -10.425 7.576 0.000) 12.887 4.725 ( 0.549 6.032 0.000) 6.057 4.821 ( -4.560 9.026 0.000) 10.113 4.927 ( -0.694 15.941 0.000) 15.956 4.943 ( -4.344 14.546 0.000) 15.181 5.000 ( 1.265 13.639 0.000) 13.698 5.161 ( 7.355 20.813 0.000) 22.075 5.232 ( 2.696 3.603 0.000) 4.500 5.395 ( -1.748 17.419 0.000) 17.507 5.460 ( 3.194 3.707 0.000) 4.893 5.625 ( -3.789 16.982 0.000) 17.400 5.869 ( 8.432 -3.108 0.000) 8.986 5.881 ( -3.821 0.635 0.000) 3.874 5.969 ( 4.318 7.993 0.000) 9.085 6.162 ( -3.037 -3.065 0.000) 4.315 6.338 ( -2.232 -3.135 0.000) 3.848 7.819 ( 3.882 -0.244 0.000) 3.890 7.821 ( 0.971 0.248 0.000) 1.002 8.075 ( -1.685 0.069 0.000) 1.687 8.110 ( 8.120 -1.475 0.000) 8.253 8.370 ( -4.057 0.440 0.000) 4.081 8.555 ( 7.962 1.088 0.000) 8.036 8.848 ( -7.122 -0.659 0.000) 7.153 8.849 ( 2.949 2.454 0.000) 3.836 9.407 ( 2.950 -3.544 0.000) 4.611 9.537 ( 8.672 1.869 0.000) 8.871 9.680 ( 1.095 6.196 0.000) 6.292 9.757 ( 0.488 1.879 0.000) 1.942 10.011 ( -2.676 -5.402 0.000) 6.029 10.029 ( 0.641 1.588 0.000) 1.713 10.101 ( -1.332 1.667 0.000) 2.134 10.130 ( 8.824 0.230 0.000) 8.827 10.556 ( 0.085 13.617 0.000) 13.617 10.652 ( 1.244 11.653 0.000) 11.719 10.784 ( -3.299 10.589 0.000) 11.091 10.907 ( -5.640 -5.725 0.000) 8.037 11.038 ( -12.147 -0.470 0.000) 12.156 11.342 ( -3.721 3.683 0.000) 5.235 11.558 ( -2.373 8.343 0.000) 8.674 11.606 ( -0.971 -0.504 0.000) 1.094 11.964 ( -4.642 1.768 0.000) 4.967 12.131 ( 4.921 -6.636 0.000) 8.262 12.266 ( 6.393 1.452 0.000) 6.556 12.497 ( 0.571 13.467 0.000) 13.480 12.553 ( 1.116 0.215 0.000) 1.137 12.718 ( -5.349 -17.607 0.000) 18.402 12.752 ( 6.783 -19.759 0.000) 20.891 12.992 ( -9.797 0.594 0.000) 9.815 13.291 ( -4.101 -16.182 0.000) 16.694 13.306 ( -0.058 -6.868 0.000) 6.869 13.470 ( -0.373 -6.232 0.000) 6.243 13.509 ( -1.265 2.615 0.000) 2.905 15.892 ( 4.736 -3.145 0.000) 5.685 16.049 ( 0.707 -2.497 0.000) 2.595 16.119 ( 2.101 2.211 0.000) 3.051 16.286 ( -2.058 -5.379 0.000) 5.759 16.687 ( -1.496 -14.513 0.000) 14.590 16.709 ( -0.439 -16.938 0.000) 16.944 16.892 ( 2.595 -16.418 0.000) 16.622 16.964 ( -0.890 -15.752 0.000) 15.777 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 7.229 14.195 0.000) 15.930 2.149 ( 1.094 13.226 0.000) 13.271 2.274 ( -1.610 11.153 0.000) 11.268 2.312 ( -9.271 8.298 0.000) 12.442 2.564 ( 7.873 2.289 0.000) 8.199 2.660 ( 1.194 2.275 0.000) 2.569 2.818 ( 5.236 8.073 0.000) 9.622 2.854 ( 2.416 9.592 0.000) 9.891 2.917 ( -7.429 7.991 0.000) 10.911 2.948 ( -6.889 3.215 0.000) 7.602 3.282 ( 6.729 -0.030 0.000) 6.729 3.286 ( 6.916 0.438 0.000) 6.930 3.431 ( 0.316 3.689 0.000) 3.703 3.531 ( -6.120 4.141 0.000) 7.389 3.593 ( -7.206 0.936 0.000) 7.267 3.609 ( -7.611 5.074 0.000) 9.148 3.959 ( 10.571 7.508 0.000) 12.966 4.032 ( 4.941 16.130 0.000) 16.870 4.118 ( -1.653 14.814 0.000) 14.906 4.135 ( 4.257 20.429 0.000) 20.868 4.190 ( -10.697 3.642 0.000) 11.300 4.283 ( -9.158 18.764 0.000) 20.880 4.472 ( 6.982 14.862 0.000) 16.421 4.509 ( 4.376 28.593 0.000) 28.926 4.580 ( 5.594 2.476 0.000) 6.117 4.687 ( -4.100 1.803 0.000) 4.478 4.734 ( -3.078 9.165 0.000) 9.668 4.787 ( -7.751 19.990 0.000) 21.440 4.968 ( 2.799 10.517 0.000) 10.883 5.010 ( -0.800 11.018 0.000) 11.047 5.278 ( 1.880 16.065 0.000) 16.174 5.288 ( 2.984 17.447 0.000) 17.700 5.377 ( 2.360 21.048 0.000) 21.180 5.486 ( -5.557 16.186 0.000) 17.113 5.618 ( 7.192 3.342 0.000) 7.930 5.771 ( -6.984 0.216 0.000) 6.987 6.036 ( 4.461 -0.338 0.000) 4.473 6.079 ( 8.951 -1.001 0.000) 9.007 6.101 ( -2.899 0.569 0.000) 2.954 6.248 ( -6.845 -5.230 0.000) 8.614 7.850 ( 1.679 0.515 0.000) 1.756 7.872 ( 0.231 -0.768 0.000) 0.802 8.094 ( 4.657 0.625 0.000) 4.698 8.212 ( -4.281 -1.650 0.000) 4.588 8.371 ( 10.171 -0.284 0.000) 10.175 8.627 ( -13.130 -0.777 0.000) 13.153 8.745 ( 8.982 2.203 0.000) 9.248 8.866 ( -2.354 3.488 0.000) 4.208 9.529 ( 7.546 -2.887 0.000) 8.080 9.641 ( -1.665 -2.037 0.000) 2.631 9.752 ( 5.505 5.152 0.000) 7.540 9.783 ( 1.771 4.184 0.000) 4.543 9.949 ( -2.242 -2.980 0.000) 3.729 10.004 ( -6.560 -1.217 0.000) 6.672 10.143 ( 12.161 6.048 0.000) 13.582 10.291 ( 3.164 5.852 0.000) 6.652 10.538 ( -1.332 0.992 0.000) 1.660 10.627 ( -8.084 4.069 0.000) 9.051 10.740 ( -0.646 12.025 0.000) 12.042 10.765 ( -7.075 3.104 0.000) 7.726 10.902 ( 6.287 -4.978 0.000) 8.019 11.127 ( -13.933 -1.128 0.000) 13.978 11.583 ( 1.287 6.975 0.000) 7.093 11.591 ( -0.333 4.742 0.000) 4.754 11.986 ( 7.814 3.642 0.000) 8.621 12.167 ( -4.667 0.616 0.000) 4.708 12.367 ( 3.644 -0.322 0.000) 3.658 12.449 ( -6.064 -2.327 0.000) 6.496 12.560 ( 0.011 5.696 0.000) 5.696 12.573 ( -2.805 6.949 0.000) 7.494 12.897 ( 5.555 -18.628 0.000) 19.439 12.928 ( 0.752 -12.856 0.000) 12.878 13.211 ( -2.193 -13.740 0.000) 13.914 13.248 ( -4.440 -10.799 0.000) 11.676 13.466 ( 0.166 -3.688 0.000) 3.692 13.480 ( -1.246 -0.211 0.000) 1.263 15.996 ( 4.836 -2.219 0.000) 5.321 16.057 ( -0.862 -2.424 0.000) 2.573 16.164 ( 2.703 -0.809 0.000) 2.821 16.229 ( -3.423 -3.938 0.000) 5.218 16.673 ( 0.258 -15.832 0.000) 15.834 16.692 ( -1.248 -16.620 0.000) 16.667 16.934 ( 1.355 -15.237 0.000) 15.297 16.949 ( -0.504 -15.006 0.000) 15.014 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.000 12.640 0.000) 12.640 2.340 ( 0.000 7.835 0.000) 7.835 2.454 ( 0.000 6.520 0.000) 6.520 2.483 ( 0.000 10.094 0.000) 10.094 2.509 ( 0.000 -0.176 0.000) 0.176 2.800 ( 0.000 5.205 0.000) 5.205 2.864 ( 0.000 9.882 0.000) 9.882 2.967 ( 0.000 -2.974 0.000) 2.974 3.005 ( 0.000 -2.868 0.000) 2.868 3.084 ( 0.000 11.672 0.000) 11.672 3.256 ( 0.000 2.684 0.000) 2.684 3.446 ( 0.000 -2.399 0.000) 2.399 3.460 ( 0.000 1.953 0.000) 1.953 3.550 ( 0.000 10.031 0.000) 10.031 3.861 ( 0.000 1.630 0.000) 1.630 3.893 ( 0.000 0.562 0.000) 0.562 3.967 ( 0.000 0.186 0.000) 0.186 4.074 ( 0.000 -1.873 0.000) 1.873 4.102 ( 0.000 -9.171 0.000) 9.171 4.146 ( 0.000 -4.535 0.000) 4.535 4.462 ( 0.000 9.123 0.000) 9.123 4.563 ( 0.000 0.823 0.000) 0.823 4.571 ( 0.000 18.165 0.000) 18.165 4.895 ( 0.000 -0.033 0.000) 0.033 4.897 ( 0.000 12.731 0.000) 12.731 4.950 ( 0.000 -8.192 0.000) 8.192 4.961 ( 0.000 16.361 0.000) 16.361 4.999 ( 0.000 17.424 0.000) 17.424 5.198 ( 0.000 15.215 0.000) 15.215 5.276 ( 0.000 12.752 0.000) 12.752 5.303 ( 0.000 11.342 0.000) 11.342 5.553 ( 0.000 22.577 0.000) 22.577 5.608 ( 0.000 11.941 0.000) 11.941 5.791 ( 0.000 3.680 0.000) 3.680 5.794 ( 0.000 19.399 0.000) 19.399 6.021 ( 0.000 9.510 0.000) 9.510 6.045 ( 0.000 19.156 0.000) 19.156 6.124 ( 0.000 -1.471 0.000) 1.471 6.155 ( 0.000 14.289 0.000) 14.289 6.349 ( 0.000 -0.334 0.000) 0.334 7.821 ( 0.000 3.860 0.000) 3.860 7.853 ( 0.000 4.604 0.000) 4.604 8.073 ( 0.000 5.389 0.000) 5.389 8.096 ( 0.000 0.995 0.000) 0.995 8.426 ( 0.000 0.013 0.000) 0.013 8.493 ( 0.000 1.772 0.000) 1.772 8.799 ( 0.000 -1.484 0.000) 1.484 8.858 ( 0.000 -4.026 0.000) 4.026 9.378 ( 0.000 2.582 0.000) 2.582 9.493 ( 0.000 1.819 0.000) 1.819 9.683 ( 0.000 -6.826 0.000) 6.826 9.800 ( 0.000 0.681 0.000) 0.681 9.875 ( 0.000 -0.286 0.000) 0.286 9.890 ( 0.000 -10.705 0.000) 10.705 10.083 ( 0.000 3.081 0.000) 3.081 10.239 ( 0.000 11.182 0.000) 11.182 10.770 ( 0.000 3.352 0.000) 3.352 10.798 ( 0.000 -13.659 0.000) 13.659 10.908 ( 0.000 14.137 0.000) 14.137 11.061 ( 0.000 12.395 0.000) 12.395 11.208 ( 0.000 -0.005 0.000) 0.005 11.370 ( 0.000 -3.504 0.000) 3.504 11.508 ( 0.000 -5.421 0.000) 5.421 11.785 ( 0.000 8.430 0.000) 8.430 11.898 ( 0.000 -8.597 0.000) 8.597 11.993 ( 0.000 -15.626 0.000) 15.626 12.224 ( 0.000 9.453 0.000) 9.453 12.272 ( 0.000 -22.650 0.000) 22.650 12.427 ( 0.000 -4.966 0.000) 4.966 12.465 ( 0.000 -1.767 0.000) 1.767 12.838 ( 0.000 14.701 0.000) 14.701 12.962 ( 0.000 -20.428 0.000) 20.428 13.164 ( 0.000 -0.955 0.000) 0.955 13.267 ( 0.000 3.276 0.000) 3.276 13.316 ( 0.000 -9.238 0.000) 9.238 13.579 ( 0.000 1.325 0.000) 1.325 15.785 ( 0.000 -1.238 0.000) 1.238 16.008 ( 0.000 -1.845 0.000) 1.845 16.171 ( 0.000 5.031 0.000) 5.031 16.196 ( 0.000 -5.626 0.000) 5.626 16.409 ( 0.000 -13.737 0.000) 13.737 16.475 ( 0.000 -10.270 0.000) 10.270 16.553 ( 0.000 -13.161 0.000) 13.161 16.723 ( 0.000 -9.545 0.000) 9.545 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 3.996 12.392 0.000) 13.020 2.357 ( 1.651 8.338 0.000) 8.500 2.453 ( -0.040 4.641 0.000) 4.641 2.469 ( -0.965 9.322 0.000) 9.372 2.538 ( 1.325 0.044 0.000) 1.325 2.747 ( -3.445 3.308 0.000) 4.776 2.880 ( 1.326 7.560 0.000) 7.676 2.959 ( 1.276 6.422 0.000) 6.548 3.050 ( 6.321 -1.472 0.000) 6.491 3.168 ( -6.447 3.317 0.000) 7.250 3.190 ( 5.013 4.623 0.000) 6.819 3.357 ( -7.355 8.787 0.000) 11.459 3.476 ( 0.825 1.750 0.000) 1.934 3.544 ( 0.280 -1.583 0.000) 1.608 3.793 ( -9.230 -1.638 0.000) 9.374 3.852 ( -12.443 -2.574 0.000) 12.706 3.906 ( 3.849 2.379 0.000) 4.525 4.033 ( 4.067 -0.935 0.000) 4.173 4.195 ( 8.163 -2.495 0.000) 8.536 4.290 ( 5.728 -4.141 0.000) 7.068 4.449 ( -1.890 8.650 0.000) 8.854 4.512 ( -2.851 1.911 0.000) 3.432 4.592 ( 2.488 16.253 0.000) 16.442 4.811 ( -6.605 16.559 0.000) 17.828 4.847 ( -3.747 1.182 0.000) 3.929 4.926 ( -4.607 13.105 0.000) 13.891 5.009 ( 4.332 -6.134 0.000) 7.510 5.042 ( 2.976 16.872 0.000) 17.133 5.207 ( 0.788 13.172 0.000) 13.195 5.252 ( -1.296 11.525 0.000) 11.598 5.332 ( 3.342 12.615 0.000) 13.050 5.564 ( 0.444 19.185 0.000) 19.190 5.692 ( 6.569 13.864 0.000) 15.341 5.791 ( 0.122 20.012 0.000) 20.012 5.838 ( 4.453 1.882 0.000) 4.834 5.999 ( -2.111 11.064 0.000) 11.264 6.018 ( -2.655 20.311 0.000) 20.483 6.116 ( -0.936 -0.664 0.000) 1.148 6.170 ( 1.355 12.372 0.000) 12.446 6.318 ( -2.976 0.350 0.000) 2.996 7.847 ( 2.197 3.066 0.000) 3.772 7.861 ( 0.733 3.604 0.000) 3.678 8.102 ( 0.590 2.407 0.000) 2.479 8.139 ( 5.944 4.363 0.000) 7.373 8.393 ( -2.427 2.032 0.000) 3.165 8.565 ( 7.202 0.340 0.000) 7.210 8.824 ( -4.829 -1.447 0.000) 5.041 8.851 ( 3.921 -1.640 0.000) 4.250 9.372 ( 1.550 0.780 0.000) 1.735 9.554 ( 4.898 0.193 0.000) 4.902 9.708 ( 2.607 -5.674 0.000) 6.244 9.783 ( -1.251 2.627 0.000) 2.909 9.852 ( -1.150 -5.026 0.000) 5.155 9.948 ( 3.100 -9.944 0.000) 10.416 10.129 ( 4.228 5.653 0.000) 7.059 10.303 ( 6.003 10.334 0.000) 11.951 10.663 ( -9.320 -1.198 0.000) 9.397 10.687 ( -7.189 -12.600 0.000) 14.507 10.919 ( -1.752 10.895 0.000) 11.035 11.031 ( -2.010 12.658 0.000) 12.816 11.047 ( -11.266 1.866 0.000) 11.420 11.364 ( -4.690 0.529 0.000) 4.719 11.599 ( 5.305 -1.093 0.000) 5.417 11.712 ( -3.793 4.429 0.000) 5.831 11.927 ( -2.915 -9.152 0.000) 9.605 11.952 ( 5.681 -11.266 0.000) 12.618 12.274 ( -0.592 -21.495 0.000) 21.504 12.345 ( 6.949 5.919 0.000) 9.128 12.420 ( 2.159 -8.879 0.000) 9.137 12.571 ( 7.619 0.600 0.000) 7.642 12.817 ( -2.349 13.219 0.000) 13.426 12.937 ( -1.743 -18.283 0.000) 18.366 13.038 ( -10.499 3.420 0.000) 11.042 13.215 ( -5.048 -1.665 0.000) 5.316 13.337 ( 2.047 -7.841 0.000) 8.103 13.553 ( -2.758 0.644 0.000) 2.832 15.846 ( 5.366 -1.128 0.000) 5.483 16.001 ( -0.255 -2.313 0.000) 2.327 16.179 ( -1.424 -5.663 0.000) 5.839 16.182 ( 0.314 3.883 0.000) 3.895 16.409 ( -0.017 -13.355 0.000) 13.355 16.438 ( -2.270 -10.442 0.000) 10.686 16.612 ( 4.062 -12.013 0.000) 12.681 16.719 ( -0.364 -9.358 0.000) 9.365 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.792 11.295 0.000) 11.915 2.372 ( -2.268 9.664 0.000) 9.926 2.432 ( 0.104 4.311 0.000) 4.312 2.454 ( -0.881 7.599 0.000) 7.650 2.595 ( 5.006 1.429 0.000) 5.206 2.688 ( -3.203 0.743 0.000) 3.288 2.909 ( 2.232 3.601 0.000) 4.237 2.999 ( -5.238 2.241 0.000) 5.697 3.094 ( 5.436 13.224 0.000) 14.298 3.155 ( 1.477 9.643 0.000) 9.756 3.264 ( 0.683 2.607 0.000) 2.695 3.270 ( 2.584 -1.453 0.000) 2.965 3.479 ( -0.298 2.274 0.000) 2.293 3.554 ( 0.047 -4.115 0.000) 4.115 3.576 ( -9.532 1.784 0.000) 9.698 3.630 ( -7.908 -1.406 0.000) 8.032 4.005 ( 5.493 -0.987 0.000) 5.581 4.082 ( -0.764 -5.100 0.000) 5.157 4.333 ( 0.803 6.287 0.000) 6.338 4.366 ( 4.013 2.817 0.000) 4.903 4.398 ( 1.369 8.486 0.000) 8.595 4.503 ( -1.081 -2.292 0.000) 2.534 4.667 ( 4.327 11.413 0.000) 12.205 4.695 ( -2.659 15.774 0.000) 15.997 4.762 ( -4.087 5.024 0.000) 6.477 4.803 ( -6.440 11.286 0.000) 12.994 5.081 ( 2.300 0.648 0.000) 2.389 5.089 ( 1.340 11.921 0.000) 11.996 5.219 ( 0.332 13.120 0.000) 13.124 5.229 ( -0.908 15.629 0.000) 15.656 5.435 ( 6.059 9.339 0.000) 11.133 5.538 ( -3.501 11.596 0.000) 12.113 5.809 ( 4.054 17.619 0.000) 18.080 5.816 ( 2.146 21.500 0.000) 21.607 5.940 ( 0.544 10.191 0.000) 10.205 5.948 ( -2.532 14.809 0.000) 15.024 5.967 ( 3.073 8.602 0.000) 9.135 6.073 ( -3.912 -0.956 0.000) 4.027 6.202 ( 1.776 9.070 0.000) 9.242 6.249 ( -3.176 4.191 0.000) 5.258 7.878 ( 0.757 2.216 0.000) 2.341 7.882 ( 0.732 1.823 0.000) 1.965 8.138 ( 3.408 3.356 0.000) 4.783 8.211 ( -1.815 1.378 0.000) 2.279 8.426 ( 8.458 6.097 0.000) 10.426 8.647 ( -11.220 3.156 0.000) 11.656 8.750 ( 9.210 -1.000 0.000) 9.264 8.881 ( -2.477 -1.327 0.000) 2.810 9.468 ( 6.928 -2.232 0.000) 7.279 9.589 ( -3.315 -2.266 0.000) 4.016 9.786 ( 4.631 -3.408 0.000) 5.750 9.795 ( 3.876 -1.043 0.000) 4.014 9.859 ( 0.311 -5.446 0.000) 5.455 9.928 ( -5.170 -6.427 0.000) 8.248 10.267 ( 10.342 5.940 0.000) 11.926 10.381 ( -0.071 1.485 0.000) 1.487 10.490 ( -5.210 -3.976 0.000) 6.554 10.627 ( -13.180 -3.900 0.000) 13.745 10.738 ( 7.190 0.824 0.000) 7.237 10.969 ( -6.592 8.669 0.000) 10.891 11.013 ( 2.909 11.599 0.000) 11.959 11.141 ( -12.530 4.346 0.000) 13.262 11.665 ( 1.818 2.214 0.000) 2.865 11.690 ( -0.607 2.935 0.000) 2.997 11.958 ( 6.273 -9.304 0.000) 11.221 12.065 ( 0.879 -12.424 0.000) 12.455 12.248 ( 0.944 -15.124 0.000) 15.153 12.340 ( -4.490 -5.148 0.000) 6.831 12.570 ( 8.462 -3.428 0.000) 9.130 12.723 ( 6.921 2.936 0.000) 7.517 12.724 ( -7.000 5.788 0.000) 9.083 12.850 ( -6.895 4.979 0.000) 8.505 12.944 ( 3.762 -10.452 0.000) 11.108 13.078 ( -8.009 -5.143 0.000) 9.518 13.394 ( 3.583 -4.686 0.000) 5.899 13.477 ( -4.405 -1.458 0.000) 4.640 15.958 ( 4.667 -1.486 0.000) 4.897 16.002 ( -0.126 -2.827 0.000) 2.830 16.153 ( -0.668 -4.085 0.000) 4.139 16.166 ( -1.530 0.311 0.000) 1.562 16.406 ( -0.278 -11.654 0.000) 11.657 16.407 ( -0.665 -10.543 0.000) 10.564 16.681 ( 2.463 -10.598 0.000) 10.881 16.710 ( -0.676 -9.533 0.000) 9.557 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.000 10.692 0.000) 10.692 2.412 ( 0.000 2.117 0.000) 2.117 2.503 ( 0.000 -0.523 0.000) 0.523 2.622 ( 0.000 8.388 0.000) 8.388 2.663 ( 0.000 7.898 0.000) 7.898 2.841 ( 0.000 0.665 0.000) 0.665 2.895 ( 0.000 -4.655 0.000) 4.655 2.941 ( 0.000 -3.658 0.000) 3.658 3.073 ( 0.000 9.727 0.000) 9.727 3.321 ( 0.000 10.839 0.000) 10.839 3.324 ( 0.000 5.551 0.000) 5.551 3.392 ( 0.000 -3.152 0.000) 3.152 3.472 ( 0.000 -0.281 0.000) 0.281 3.715 ( 0.000 6.133 0.000) 6.133 3.862 ( 0.000 -1.017 0.000) 1.017 3.878 ( 0.000 -1.287 0.000) 1.287 3.904 ( 0.000 -5.876 0.000) 5.876 3.936 ( 0.000 -6.892 0.000) 6.892 3.998 ( 0.000 -4.708 0.000) 4.708 4.027 ( 0.000 -6.423 0.000) 6.423 4.554 ( 0.000 -0.854 0.000) 0.854 4.574 ( 0.000 3.463 0.000) 3.463 4.767 ( 0.000 -8.863 0.000) 8.863 4.863 ( 0.000 11.415 0.000) 11.415 4.955 ( 0.000 5.390 0.000) 5.390 4.987 ( 0.000 -7.250 0.000) 7.250 5.131 ( 0.000 9.984 0.000) 9.984 5.219 ( 0.000 9.695 0.000) 9.695 5.437 ( 0.000 3.606 0.000) 3.606 5.472 ( 0.000 5.764 0.000) 5.764 5.656 ( 0.000 21.742 0.000) 21.742 5.860 ( 0.000 12.033 0.000) 12.033 5.904 ( 0.000 7.850 0.000) 7.850 5.912 ( 0.000 13.706 0.000) 13.706 6.088 ( 0.000 9.194 0.000) 9.194 6.106 ( 0.000 0.897 0.000) 0.897 6.253 ( 0.000 10.703 0.000) 10.703 6.353 ( 0.000 1.676 0.000) 1.676 6.384 ( 0.000 14.381 0.000) 14.381 6.423 ( 0.000 11.992 0.000) 11.992 7.924 ( 0.000 6.518 0.000) 6.518 7.977 ( 0.000 7.587 0.000) 7.587 8.123 ( 0.000 1.278 0.000) 1.278 8.207 ( 0.000 7.011 0.000) 7.011 8.423 ( 0.000 0.265 0.000) 0.265 8.544 ( 0.000 3.211 0.000) 3.211 8.751 ( 0.000 -3.676 0.000) 3.676 8.768 ( 0.000 -4.834 0.000) 4.834 9.489 ( 0.000 5.359 0.000) 5.359 9.522 ( 0.000 1.488 0.000) 1.488 9.555 ( 0.000 -1.992 0.000) 1.992 9.682 ( 0.000 -10.055 0.000) 10.055 9.698 ( 0.000 -5.269 0.000) 5.269 10.048 ( 0.000 12.522 0.000) 12.522 10.169 ( 0.000 6.322 0.000) 6.322 10.473 ( 0.000 10.760 0.000) 10.760 10.478 ( 0.000 -16.664 0.000) 16.664 10.727 ( 0.000 -6.629 0.000) 6.629 11.140 ( 0.000 -2.545 0.000) 2.545 11.181 ( 0.000 9.141 0.000) 9.141 11.202 ( 0.000 -15.825 0.000) 15.825 11.281 ( 0.000 9.917 0.000) 9.917 11.420 ( 0.000 -3.048 0.000) 3.048 11.650 ( 0.000 -12.741 0.000) 12.741 11.743 ( 0.000 -7.511 0.000) 7.511 11.857 ( 0.000 -19.111 0.000) 19.111 11.924 ( 0.000 4.771 0.000) 4.771 12.377 ( 0.000 0.236 0.000) 0.236 12.427 ( 0.000 2.036 0.000) 2.036 12.453 ( 0.000 0.372 0.000) 0.372 12.618 ( 0.000 -8.585 0.000) 8.585 13.072 ( 0.000 9.219 0.000) 9.219 13.121 ( 0.000 -10.505 0.000) 10.505 13.178 ( 0.000 1.935 0.000) 1.935 13.333 ( 0.000 3.120 0.000) 3.120 13.559 ( 0.000 -3.199 0.000) 3.199 15.800 ( 0.000 2.621 0.000) 2.621 15.978 ( 0.000 -0.936 0.000) 0.936 16.088 ( 0.000 -5.464 0.000) 5.464 16.183 ( 0.000 -9.173 0.000) 9.173 16.281 ( 0.000 5.830 0.000) 5.830 16.317 ( 0.000 -5.850 0.000) 5.850 16.351 ( 0.000 -7.515 0.000) 7.515 16.585 ( 0.000 -5.267 0.000) 5.267 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 2.135 1.984 0.000) 2.914 2.434 ( 3.186 9.936 0.000) 10.434 2.518 ( 0.298 -0.461 0.000) 0.549 2.619 ( 0.512 8.194 0.000) 8.210 2.634 ( -2.580 7.230 0.000) 7.676 2.778 ( -4.093 0.262 0.000) 4.101 2.939 ( 1.791 -2.677 0.000) 3.221 2.974 ( 2.992 -3.117 0.000) 4.321 3.078 ( 1.583 5.379 0.000) 5.607 3.270 ( -3.865 5.594 0.000) 6.799 3.336 ( 0.744 8.759 0.000) 8.791 3.424 ( 2.165 -4.172 0.000) 4.701 3.502 ( 2.176 1.809 0.000) 2.830 3.604 ( -6.508 9.569 0.000) 11.572 3.764 ( -6.801 -0.539 0.000) 6.823 3.777 ( -9.121 -4.249 0.000) 10.062 3.903 ( 2.282 -2.464 0.000) 3.358 3.962 ( -0.252 -4.629 0.000) 4.636 4.114 ( 10.882 -4.921 0.000) 11.943 4.171 ( 7.881 -7.611 0.000) 10.956 4.523 ( -2.181 0.476 0.000) 2.232 4.552 ( -2.223 3.159 0.000) 3.862 4.832 ( 5.143 -9.742 0.000) 11.016 4.865 ( -0.114 9.127 0.000) 9.128 4.912 ( -1.348 4.418 0.000) 4.619 5.029 ( 1.706 -4.334 0.000) 4.658 5.088 ( -4.414 11.440 0.000) 12.262 5.163 ( -5.518 9.931 0.000) 11.361 5.434 ( 0.620 6.288 0.000) 6.319 5.501 ( 3.844 3.644 0.000) 5.296 5.630 ( -2.425 19.496 0.000) 19.646 5.861 ( -4.748 10.231 0.000) 11.279 5.906 ( 3.865 9.594 0.000) 10.343 5.973 ( 5.622 9.223 0.000) 10.801 6.093 ( -0.242 5.731 0.000) 5.736 6.122 ( 1.706 7.775 0.000) 7.959 6.258 ( 0.058 10.539 0.000) 10.539 6.354 ( 0.513 4.242 0.000) 4.273 6.369 ( -1.742 14.697 0.000) 14.800 6.416 ( -0.470 11.557 0.000) 11.567 7.936 ( 0.830 5.791 0.000) 5.850 7.955 ( -1.407 5.920 0.000) 6.085 8.146 ( 1.896 1.292 0.000) 2.294 8.238 ( 1.509 3.474 0.000) 3.787 8.457 ( 4.141 5.213 0.000) 6.657 8.589 ( 4.994 2.568 0.000) 5.616 8.794 ( 1.254 -1.680 0.000) 2.096 8.809 ( 4.653 -2.383 0.000) 5.228 9.450 ( -2.272 6.257 0.000) 6.656 9.544 ( 1.383 -1.077 0.000) 1.753 9.587 ( 3.442 -4.608 0.000) 5.752 9.705 ( 1.261 -5.254 0.000) 5.403 9.740 ( 4.052 -10.796 0.000) 11.531 9.913 ( -9.311 6.494 0.000) 11.352 10.278 ( 6.627 10.093 0.000) 12.074 10.374 ( -8.251 -16.877 0.000) 18.786 10.529 ( 5.264 11.369 0.000) 12.529 10.561 ( -12.031 -8.351 0.000) 14.645 11.033 ( -9.428 1.986 0.000) 9.635 11.195 ( 1.488 10.910 0.000) 11.011 11.230 ( -0.941 5.585 0.000) 5.664 11.365 ( 7.268 -3.726 0.000) 8.167 11.529 ( -10.749 -13.666 0.000) 17.387 11.532 ( 8.940 -5.972 0.000) 10.751 11.721 ( -0.995 -11.777 0.000) 11.819 11.841 ( -4.521 1.138 0.000) 4.662 11.888 ( 1.967 -16.798 0.000) 16.913 12.309 ( -8.061 -10.402 0.000) 13.160 12.453 ( 6.049 4.511 0.000) 7.546 12.601 ( 10.483 3.991 0.000) 11.217 12.691 ( 6.199 -3.953 0.000) 7.352 13.019 ( -5.825 7.313 0.000) 9.350 13.118 ( -5.393 4.533 0.000) 7.045 13.166 ( 4.304 -9.457 0.000) 10.390 13.223 ( -9.233 1.856 0.000) 9.418 13.524 ( -3.775 -3.537 0.000) 5.173 15.853 ( 4.574 1.691 0.000) 4.876 15.965 ( -0.818 -1.051 0.000) 1.332 16.069 ( -1.295 -5.375 0.000) 5.529 16.167 ( -1.855 -8.159 0.000) 8.367 16.293 ( -0.913 -4.364 0.000) 4.459 16.294 ( 1.064 4.245 0.000) 4.376 16.423 ( 4.933 -7.559 0.000) 9.026 16.582 ( -0.386 -5.287 0.000) 5.301 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 1.321 7.846 0.000) 7.957 2.490 ( 1.953 2.495 0.000) 3.168 2.515 ( 1.574 3.613 0.000) 3.941 2.578 ( -2.834 5.104 0.000) 5.838 2.648 ( 1.939 4.909 0.000) 5.278 2.699 ( -3.459 0.858 0.000) 3.564 2.961 ( 1.475 0.337 0.000) 1.513 3.004 ( -1.422 -2.412 0.000) 2.801 3.151 ( 4.893 -1.497 0.000) 5.117 3.224 ( -1.389 0.816 0.000) 1.611 3.352 ( 2.657 7.434 0.000) 7.895 3.432 ( -2.008 -4.826 0.000) 5.227 3.523 ( -0.962 2.157 0.000) 2.362 3.523 ( -2.399 13.046 0.000) 13.264 3.635 ( -3.450 4.667 0.000) 5.804 3.636 ( -3.804 4.833 0.000) 6.150 3.943 ( 1.388 -4.924 0.000) 5.116 3.957 ( -0.300 -6.902 0.000) 6.909 4.303 ( 6.825 -7.784 0.000) 10.353 4.313 ( 5.435 -8.480 0.000) 10.073 4.478 ( -2.237 3.024 0.000) 3.761 4.489 ( -3.445 4.010 0.000) 5.286 4.867 ( 1.384 4.534 0.000) 4.741 4.911 ( 0.156 -5.618 0.000) 5.620 4.933 ( 3.096 9.763 0.000) 10.243 5.000 ( -1.386 6.970 0.000) 7.106 5.031 ( -6.276 10.215 0.000) 11.989 5.033 ( -1.375 -4.323 0.000) 4.537 5.487 ( 3.998 9.450 0.000) 10.260 5.568 ( -3.697 14.526 0.000) 14.989 5.609 ( 6.408 4.892 0.000) 8.062 5.742 ( -6.648 7.015 0.000) 9.665 5.991 ( 4.299 6.834 0.000) 8.073 6.064 ( -2.678 4.401 0.000) 5.152 6.083 ( 4.746 9.157 0.000) 10.314 6.144 ( -0.819 9.583 0.000) 9.618 6.262 ( 1.405 13.554 0.000) 13.626 6.316 ( -3.244 15.260 0.000) 15.601 6.379 ( 1.599 8.480 0.000) 8.630 6.405 ( -0.870 10.466 0.000) 10.502 7.939 ( -0.086 4.273 0.000) 4.274 7.943 ( -0.147 4.377 0.000) 4.379 8.190 ( 2.402 0.728 0.000) 2.510 8.234 ( -1.650 -0.341 0.000) 1.684 8.594 ( 8.564 10.384 0.000) 13.460 8.723 ( 3.270 3.366 0.000) 4.693 8.770 ( -0.395 4.957 0.000) 4.972 8.860 ( -1.452 0.307 0.000) 1.484 9.467 ( 4.372 1.897 0.000) 4.766 9.553 ( -1.374 -2.410 0.000) 2.774 9.677 ( 4.751 -6.384 0.000) 7.958 9.733 ( -1.511 -7.883 0.000) 8.027 9.752 ( -3.005 -0.692 0.000) 3.083 9.766 ( -2.175 -9.431 0.000) 9.678 10.250 ( -2.328 -14.006 0.000) 14.198 10.292 ( -5.801 -7.292 0.000) 9.318 10.485 ( 7.076 7.726 0.000) 10.477 10.623 ( -1.030 6.549 0.000) 6.630 10.882 ( 1.069 10.649 0.000) 10.703 11.101 ( -13.839 7.279 0.000) 15.637 11.233 ( 2.109 9.933 0.000) 10.154 11.286 ( -4.454 7.124 0.000) 8.402 11.569 ( 7.367 -16.834 0.000) 18.375 11.651 ( 0.218 -5.838 0.000) 5.842 11.740 ( 2.578 -15.969 0.000) 16.175 11.777 ( -2.145 -3.187 0.000) 3.842 11.946 ( 5.749 -14.984 0.000) 16.049 12.122 ( -10.098 -15.248 0.000) 18.289 12.611 ( 9.758 5.250 0.000) 11.081 12.813 ( 10.107 4.178 0.000) 10.937 12.832 ( -11.580 5.514 0.000) 12.826 12.841 ( 8.504 -0.150 0.000) 8.506 12.991 ( -7.298 7.795 0.000) 10.678 13.025 ( -9.923 -1.358 0.000) 10.016 13.279 ( 6.588 -6.985 0.000) 9.602 13.415 ( -6.602 -4.760 0.000) 8.139 15.938 ( 2.766 -0.612 0.000) 2.833 15.957 ( -0.078 -1.504 0.000) 1.506 16.061 ( 1.136 -5.100 0.000) 5.225 16.113 ( -3.206 -6.083 0.000) 6.876 16.290 ( 0.614 -1.456 0.000) 1.580 16.305 ( -0.317 1.388 0.000) 1.424 16.514 ( 3.707 -6.858 0.000) 7.796 16.565 ( -1.514 -5.806 0.000) 6.000 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.000 1.938 0.000) 1.938 2.485 ( 0.000 -1.403 0.000) 1.403 2.597 ( 0.000 9.774 0.000) 9.774 2.759 ( 0.000 -3.517 0.000) 3.517 2.761 ( 0.000 6.001 0.000) 6.001 2.798 ( 0.000 0.014 0.000) 0.014 2.837 ( 0.000 -1.179 0.000) 1.179 2.862 ( 0.000 -4.495 0.000) 4.495 3.230 ( 0.000 6.276 0.000) 6.276 3.324 ( 0.000 -3.829 0.000) 3.829 3.404 ( 0.000 3.690 0.000) 3.690 3.455 ( 0.000 -1.586 0.000) 1.586 3.553 ( 0.000 11.236 0.000) 11.236 3.754 ( 0.000 -9.216 0.000) 9.216 3.783 ( 0.000 1.678 0.000) 1.678 3.822 ( 0.000 -2.741 0.000) 2.741 3.861 ( 0.000 -0.442 0.000) 0.442 3.862 ( 0.000 -0.926 0.000) 0.926 3.924 ( 0.000 -2.243 0.000) 2.243 3.929 ( 0.000 -2.946 0.000) 2.946 4.556 ( 0.000 1.540 0.000) 1.540 4.624 ( 0.000 -5.496 0.000) 5.496 4.663 ( 0.000 6.428 0.000) 6.428 4.816 ( 0.000 -8.715 0.000) 8.715 5.024 ( 0.000 4.334 0.000) 4.334 5.041 ( 0.000 2.352 0.000) 2.352 5.278 ( 0.000 5.012 0.000) 5.012 5.323 ( 0.000 0.897 0.000) 0.897 5.490 ( 0.000 2.433 0.000) 2.433 5.519 ( 0.000 -0.043 0.000) 0.043 5.970 ( 0.000 10.369 0.000) 10.369 6.030 ( 0.000 4.747 0.000) 4.747 6.036 ( 0.000 4.035 0.000) 4.035 6.066 ( 0.000 1.244 0.000) 1.244 6.135 ( 0.000 1.655 0.000) 1.655 6.151 ( 0.000 -0.104 0.000) 0.104 6.406 ( 0.000 4.326 0.000) 4.326 6.416 ( 0.000 2.809 0.000) 2.809 6.580 ( 0.000 5.330 0.000) 5.330 6.588 ( 0.000 4.361 0.000) 4.361 8.053 ( 0.000 5.820 0.000) 5.820 8.126 ( 0.000 -1.520 0.000) 1.520 8.131 ( 0.000 7.740 0.000) 7.740 8.251 ( 0.000 -3.407 0.000) 3.407 8.496 ( 0.000 7.456 0.000) 7.456 8.608 ( 0.000 3.276 0.000) 3.276 8.647 ( 0.000 -6.926 0.000) 6.926 8.679 ( 0.000 -4.153 0.000) 4.153 9.458 ( 0.000 -0.354 0.000) 0.354 9.518 ( 0.000 -6.195 0.000) 6.195 9.559 ( 0.000 2.373 0.000) 2.373 9.615 ( 0.000 -3.405 0.000) 3.405 9.763 ( 0.000 15.480 0.000) 15.480 10.104 ( 0.000 -18.977 0.000) 18.977 10.334 ( 0.000 10.242 0.000) 10.242 10.353 ( 0.000 18.846 0.000) 18.846 10.549 ( 0.000 -10.589 0.000) 10.589 10.729 ( 0.000 13.353 0.000) 13.353 10.783 ( 0.000 -23.746 0.000) 23.746 10.976 ( 0.000 -11.238 0.000) 11.238 11.394 ( 0.000 9.372 0.000) 9.372 11.410 ( 0.000 2.370 0.000) 2.370 11.441 ( 0.000 6.125 0.000) 6.125 11.522 ( 0.000 -3.183 0.000) 3.183 11.560 ( 0.000 -10.212 0.000) 10.212 11.593 ( 0.000 -7.961 0.000) 7.961 12.008 ( 0.000 5.031 0.000) 5.031 12.170 ( 0.000 -12.086 0.000) 12.086 12.459 ( 0.000 0.982 0.000) 0.982 12.464 ( 0.000 0.371 0.000) 0.371 12.714 ( 0.000 9.946 0.000) 9.946 12.915 ( 0.000 -10.474 0.000) 10.474 13.202 ( 0.000 3.856 0.000) 3.856 13.218 ( 0.000 1.500 0.000) 1.500 13.387 ( 0.000 3.075 0.000) 3.075 13.471 ( 0.000 -5.128 0.000) 5.128 15.877 ( 0.000 4.957 0.000) 4.957 15.981 ( 0.000 -5.503 0.000) 5.503 15.982 ( 0.000 1.559 0.000) 1.559 16.045 ( 0.000 -5.015 0.000) 5.015 16.246 ( 0.000 -1.566 0.000) 1.566 16.255 ( 0.000 -2.571 0.000) 2.571 16.394 ( 0.000 5.508 0.000) 5.508 16.493 ( 0.000 -4.653 0.000) 4.653 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 1.782 1.824 0.000) 2.550 2.499 ( 1.289 -1.401 0.000) 1.904 2.613 ( 1.117 8.315 0.000) 8.390 2.723 ( -3.475 -0.702 0.000) 3.545 2.767 ( 0.553 6.814 0.000) 6.837 2.776 ( -1.895 1.767 0.000) 2.591 2.852 ( 1.563 -4.968 0.000) 5.208 2.886 ( 1.837 -5.438 0.000) 5.739 3.195 ( -2.016 6.043 0.000) 6.370 3.313 ( -1.150 -6.117 0.000) 6.224 3.369 ( -3.422 4.273 0.000) 5.474 3.420 ( -2.908 -0.394 0.000) 2.934 3.595 ( 2.887 6.605 0.000) 7.208 3.699 ( -2.323 -4.125 0.000) 4.734 3.768 ( -0.990 3.312 0.000) 3.456 3.812 ( -0.264 6.932 0.000) 6.937 3.838 ( 0.457 -1.922 0.000) 1.976 3.911 ( -0.710 1.010 0.000) 1.234 3.990 ( 7.082 -7.912 0.000) 10.619 4.012 ( 5.494 -7.928 0.000) 9.646 4.559 ( 0.454 3.450 0.000) 3.480 4.641 ( -1.975 6.520 0.000) 6.812 4.663 ( 3.262 -7.199 0.000) 7.904 4.794 ( -1.751 -8.495 0.000) 8.674 5.033 ( 0.976 4.214 0.000) 4.325 5.050 ( 0.784 2.117 0.000) 2.257 5.252 ( -3.606 5.302 0.000) 6.412 5.285 ( -4.575 2.221 0.000) 5.085 5.506 ( 2.626 1.794 0.000) 3.180 5.524 ( 2.830 -0.159 0.000) 2.835 5.894 ( -6.189 7.733 0.000) 9.905 5.958 ( -7.291 0.573 0.000) 7.313 6.066 ( 3.391 5.591 0.000) 6.539 6.097 ( 4.598 2.664 0.000) 5.314 6.170 ( 1.347 3.625 0.000) 3.867 6.208 ( 2.937 0.314 0.000) 2.954 6.419 ( 1.638 5.521 0.000) 5.759 6.447 ( 2.608 2.679 0.000) 3.739 6.568 ( -1.295 5.434 0.000) 5.586 6.578 ( -0.899 4.296 0.000) 4.389 8.052 ( -0.212 5.501 0.000) 5.505 8.087 ( -2.995 7.272 0.000) 7.864 8.133 ( 0.631 -2.580 0.000) 2.656 8.216 ( -2.657 -5.052 0.000) 5.708 8.605 ( 9.148 8.687 0.000) 12.615 8.667 ( 6.034 4.944 0.000) 7.801 8.745 ( 8.059 -4.995 0.000) 9.482 8.751 ( 6.313 -3.131 0.000) 7.047 9.472 ( 0.977 -0.040 0.000) 0.978 9.541 ( -1.992 1.557 0.000) 2.528 9.551 ( 2.327 -7.769 0.000) 8.110 9.607 ( -0.835 -4.706 0.000) 4.780 9.709 ( -3.727 13.893 0.000) 14.385 10.024 ( -6.338 -17.736 0.000) 18.835 10.088 ( -13.477 11.461 0.000) 17.691 10.330 ( -14.056 -11.807 0.000) 18.357 10.561 ( 9.215 16.113 0.000) 18.562 10.780 ( 4.217 13.545 0.000) 14.187 10.946 ( 9.798 -22.233 0.000) 24.296 11.007 ( 1.942 -7.136 0.000) 7.395 11.354 ( -2.067 4.439 0.000) 4.897 11.417 ( -3.112 6.258 0.000) 6.990 11.469 ( 4.148 1.229 0.000) 4.326 11.489 ( -2.631 -0.196 0.000) 2.638 11.508 ( -2.597 -6.291 0.000) 6.806 11.641 ( 2.832 -9.581 0.000) 9.990 11.878 ( -8.803 4.056 0.000) 9.693 12.045 ( -10.037 -12.770 0.000) 16.242 12.540 ( 7.738 4.130 0.000) 8.771 12.604 ( 8.833 -2.404 0.000) 9.154 12.789 ( 7.214 9.252 0.000) 11.732 12.977 ( 5.924 -9.777 0.000) 11.431 13.121 ( -7.449 3.663 0.000) 8.300 13.166 ( -6.001 -0.505 0.000) 6.023 13.300 ( -7.087 6.120 0.000) 9.363 13.426 ( -4.646 -6.152 0.000) 7.709 15.903 ( 2.099 3.238 0.000) 3.859 15.969 ( -0.999 1.631 0.000) 1.913 15.975 ( -0.359 -4.203 0.000) 4.219 16.033 ( -1.121 -5.049 0.000) 5.172 16.260 ( 1.951 0.660 0.000) 2.059 16.309 ( 4.311 -4.214 0.000) 6.029 16.394 ( -0.249 5.201 0.000) 5.207 16.490 ( -0.494 -4.615 0.000) 4.641 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 3.832 1.335 0.000) 4.058 2.541 ( 3.285 -0.123 0.000) 3.288 2.599 ( -2.997 3.554 0.000) 4.649 2.633 ( -5.136 0.101 0.000) 5.137 2.759 ( 0.699 5.809 0.000) 5.851 2.774 ( -0.168 7.116 0.000) 7.118 2.889 ( 1.809 -6.451 0.000) 6.700 2.909 ( 0.077 -6.471 0.000) 6.472 3.192 ( 2.137 4.846 0.000) 5.296 3.273 ( -5.310 3.916 0.000) 6.598 3.306 ( 1.127 -6.531 0.000) 6.627 3.357 ( -3.356 -3.980 0.000) 5.206 3.629 ( 2.450 7.170 0.000) 7.577 3.708 ( -4.462 6.193 0.000) 7.633 3.744 ( 4.877 -1.317 0.000) 5.052 3.823 ( -2.302 -0.319 0.000) 2.324 3.846 ( 2.459 8.116 0.000) 8.480 3.889 ( -1.622 6.004 0.000) 6.219 4.101 ( 3.131 -12.290 0.000) 12.683 4.102 ( 2.761 -12.043 0.000) 12.355 4.574 ( 0.989 6.474 0.000) 6.549 4.600 ( -1.762 7.281 0.000) 7.491 4.728 ( 2.713 -9.240 0.000) 9.630 4.764 ( -1.231 -9.089 0.000) 9.172 5.069 ( 2.741 3.851 0.000) 4.727 5.077 ( 2.424 2.978 0.000) 3.839 5.148 ( -5.348 4.729 0.000) 7.139 5.165 ( -6.047 3.090 0.000) 6.790 5.606 ( 6.843 3.389 0.000) 7.637 5.640 ( 7.610 -0.391 0.000) 7.620 5.754 ( -7.467 5.287 0.000) 9.149 5.802 ( -8.153 0.001 0.000) 8.153 6.135 ( 2.954 5.899 0.000) 6.597 6.175 ( -0.923 5.331 0.000) 5.410 6.183 ( 3.567 1.237 0.000) 3.775 6.229 ( -0.792 0.283 0.000) 0.841 6.469 ( 3.068 6.645 0.000) 7.319 6.505 ( 2.834 2.919 0.000) 4.069 6.528 ( -2.612 6.183 0.000) 6.712 6.552 ( -1.792 3.630 0.000) 4.048 8.043 ( -0.456 5.594 0.000) 5.612 8.045 ( -0.950 6.395 0.000) 6.466 8.148 ( 0.803 -4.514 0.000) 4.585 8.171 ( -1.660 -5.677 0.000) 5.915 8.794 ( 8.050 8.812 0.000) 11.935 8.820 ( 7.194 5.766 0.000) 9.220 8.866 ( 2.948 2.373 0.000) 3.784 8.883 ( 3.341 0.024 0.000) 3.341 9.478 ( 0.371 -0.550 0.000) 0.663 9.496 ( -1.401 -1.180 0.000) 1.832 9.553 ( -2.047 -7.744 0.000) 8.010 9.566 ( -3.372 -7.700 0.000) 8.406 9.706 ( 3.786 7.714 0.000) 8.593 9.841 ( -9.980 9.264 0.000) 13.617 9.948 ( 0.940 -15.252 0.000) 15.281 10.071 ( -10.499 -13.097 0.000) 16.786 10.731 ( 7.466 16.242 0.000) 17.876 10.832 ( -1.190 13.607 0.000) 13.659 11.042 ( 2.960 -0.624 0.000) 3.025 11.085 ( 2.306 -18.127 0.000) 18.273 11.319 ( -3.851 9.379 0.000) 10.139 11.320 ( -1.688 0.530 0.000) 1.770 11.454 ( -0.876 -0.467 0.000) 0.993 11.456 ( -1.346 -6.842 0.000) 6.974 11.596 ( 7.254 -0.821 0.000) 7.300 11.706 ( 4.198 -8.995 0.000) 9.926 11.731 ( -6.176 -0.495 0.000) 6.196 11.841 ( -9.327 -11.368 0.000) 14.705 12.714 ( 9.737 4.682 0.000) 10.804 12.787 ( 9.560 -2.822 0.000) 9.967 12.927 ( -11.042 4.072 0.000) 11.769 12.968 ( 9.590 8.108 0.000) 12.558 12.989 ( -10.359 -2.368 0.000) 10.626 13.129 ( 8.570 -8.181 0.000) 11.848 13.148 ( -8.179 7.975 0.000) 11.424 13.297 ( -7.807 -7.100 0.000) 10.553 15.939 ( 1.102 0.852 0.000) 1.393 15.952 ( -0.626 1.119 0.000) 1.283 15.977 ( 0.785 -3.196 0.000) 3.291 16.004 ( -1.631 -4.258 0.000) 4.560 16.317 ( 3.319 3.317 0.000) 4.693 16.373 ( -2.000 4.517 0.000) 4.940 16.400 ( 4.223 -5.022 0.000) 6.562 16.465 ( -2.161 -4.781 0.000) 5.246 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 0.586 ( 0.000 0.000 27.249) 27.249 0.629 ( 0.000 0.000 28.861) 28.861 1.102 ( 0.000 0.000 48.810) 48.810 1.604 ( 0.000 0.000 -14.696) 14.696 1.617 ( 0.000 0.000 -14.897) 14.897 1.925 ( 0.000 0.000 16.429) 16.429 2.085 ( 0.000 0.000 0.191) 0.191 2.250 ( 0.000 0.000 -3.452) 3.452 2.387 ( 0.000 0.000 3.584) 3.584 2.390 ( 0.000 0.000 12.384) 12.384 2.462 ( 0.000 0.000 7.829) 7.829 2.498 ( 0.000 0.000 -1.700) 1.700 2.605 ( 0.000 0.000 -2.285) 2.285 2.615 ( 0.000 0.000 -0.319) 0.319 2.658 ( 0.000 0.000 -0.297) 0.297 2.707 ( 0.000 0.000 -6.688) 6.688 2.807 ( 0.000 0.000 -6.330) 6.330 2.808 ( 0.000 0.000 -16.727) 16.727 2.982 ( 0.000 0.000 -13.429) 13.429 3.068 ( 0.000 0.000 5.558) 5.558 3.239 ( 0.000 0.000 -2.206) 2.206 3.245 ( 0.000 0.000 -23.806) 23.806 3.587 ( 0.000 0.000 3.805) 3.805 3.724 ( 0.000 0.000 3.720) 3.720 3.983 ( 0.000 0.000 -9.491) 9.491 4.133 ( 0.000 0.000 18.193) 18.193 4.440 ( 0.000 0.000 -1.589) 1.589 4.593 ( 0.000 0.000 3.918) 3.918 4.617 ( 0.000 0.000 -4.526) 4.526 4.997 ( 0.000 0.000 8.888) 8.888 5.148 ( 0.000 0.000 -10.268) 10.268 5.261 ( 0.000 0.000 5.807) 5.807 5.478 ( 0.000 0.000 6.139) 6.139 5.581 ( 0.000 0.000 1.387) 1.387 5.731 ( 0.000 0.000 2.075) 2.075 5.738 ( 0.000 0.000 -7.555) 7.555 5.790 ( 0.000 0.000 -2.751) 2.751 5.981 ( 0.000 0.000 -2.271) 2.271 6.651 ( 0.000 0.000 10.335) 10.335 6.913 ( 0.000 0.000 -0.580) 0.580 7.514 ( 0.000 0.000 5.057) 5.057 7.716 ( 0.000 0.000 1.218) 1.218 8.000 ( 0.000 0.000 -6.378) 6.378 8.038 ( 0.000 0.000 4.429) 4.429 8.146 ( 0.000 0.000 -6.986) 6.986 8.299 ( 0.000 0.000 -2.527) 2.527 8.399 ( 0.000 0.000 -0.501) 0.501 8.433 ( 0.000 0.000 -4.412) 4.412 8.517 ( 0.000 0.000 6.651) 6.651 8.701 ( 0.000 0.000 -1.859) 1.859 9.060 ( 0.000 0.000 3.723) 3.723 9.183 ( 0.000 0.000 -1.348) 1.348 9.287 ( 0.000 0.000 9.240) 9.240 9.702 ( 0.000 0.000 -7.949) 7.949 10.188 ( 0.000 0.000 1.094) 1.094 10.213 ( 0.000 0.000 1.842) 1.842 10.250 ( 0.000 0.000 -1.219) 1.219 10.599 ( 0.000 0.000 13.505) 13.505 10.695 ( 0.000 0.000 -11.508) 11.508 10.919 ( 0.000 0.000 0.766) 0.766 10.963 ( 0.000 0.000 -0.846) 0.846 11.048 ( 0.000 0.000 -6.793) 6.793 11.244 ( 0.000 0.000 -0.686) 0.686 11.281 ( 0.000 0.000 -3.072) 3.072 12.261 ( 0.000 0.000 11.482) 11.482 12.626 ( 0.000 0.000 -3.661) 3.661 12.729 ( 0.000 0.000 2.310) 2.310 12.845 ( 0.000 0.000 0.512) 0.512 12.865 ( 0.000 0.000 0.183) 0.183 12.875 ( 0.000 0.000 -0.312) 0.312 12.888 ( 0.000 0.000 -0.368) 0.368 12.963 ( 0.000 0.000 -6.170) 6.170 13.689 ( 0.000 0.000 3.923) 3.923 13.814 ( 0.000 0.000 -0.426) 0.426 13.930 ( 0.000 0.000 1.747) 1.747 14.078 ( 0.000 0.000 -3.298) 3.298 15.604 ( 0.000 0.000 1.759) 1.759 15.692 ( 0.000 0.000 -1.345) 1.345 16.272 ( 0.000 0.000 -1.206) 1.206 16.276 ( 0.000 0.000 -1.902) 1.902 17.551 ( 0.000 0.000 5.584) 5.584 17.817 ( 0.000 0.000 -4.740) 4.740 18.208 ( 0.000 0.000 3.127) 3.127 18.345 ( 0.000 0.000 -1.952) 1.952 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 17.176 0.000 21.045) 27.164 0.868 ( 21.397 0.000 19.198) 28.747 1.338 ( 22.737 0.000 37.418) 43.785 1.666 ( 4.381 0.000 -12.181) 12.945 1.706 ( 8.150 0.000 -14.880) 16.966 1.955 ( -4.545 0.000 11.750) 12.598 1.962 ( -11.456 0.000 0.775) 11.482 2.170 ( -6.816 0.000 -3.837) 7.822 2.364 ( -0.600 0.000 5.294) 5.328 2.425 ( 0.061 0.000 10.957) 10.957 2.458 ( 2.705 0.000 0.016) 2.705 2.559 ( -1.168 0.000 -1.892) 2.223 2.569 ( -4.389 0.000 -0.769) 4.455 2.583 ( 0.851 0.000 -2.147) 2.310 2.690 ( 5.775 0.000 3.265) 6.634 2.727 ( 0.848 0.000 -6.859) 6.911 2.850 ( 4.097 0.000 -11.262) 11.984 2.860 ( 3.325 0.000 -3.473) 4.808 2.998 ( 4.234 0.000 -13.835) 14.468 3.066 ( 0.153 0.000 4.359) 4.362 3.219 ( -1.972 0.000 -2.105) 2.885 3.238 ( -0.060 0.000 -15.557) 15.557 3.507 ( -2.787 0.000 7.301) 7.815 3.765 ( 0.723 0.000 -3.245) 3.324 3.985 ( -7.929 0.000 12.746) 15.011 4.055 ( -4.788 0.000 -12.346) 13.242 4.339 ( -1.901 0.000 -11.168) 11.329 4.582 ( -7.444 0.000 -8.751) 11.489 4.839 ( 11.531 0.000 -0.795) 11.558 4.934 ( -5.591 0.000 11.077) 12.408 4.971 ( -5.546 0.000 3.386) 6.498 5.256 ( -2.167 0.000 -3.399) 4.031 5.424 ( -5.260 0.000 6.273) 8.186 5.499 ( -3.885 0.000 6.046) 7.187 5.768 ( 6.458 0.000 3.437) 7.316 5.873 ( 4.116 0.000 -3.941) 5.699 5.887 ( 9.667 0.000 -3.099) 10.152 6.088 ( 7.839 0.000 -5.990) 9.866 6.575 ( -6.829 0.000 11.252) 13.162 6.881 ( -3.327 0.000 -2.388) 4.095 7.520 ( 0.635 0.000 4.818) 4.860 7.678 ( -3.404 0.000 1.868) 3.883 8.004 ( 0.474 0.000 -6.550) 6.567 8.111 ( -2.789 0.000 -6.436) 7.015 8.184 ( 4.629 0.000 0.536) 4.660 8.237 ( 0.698 0.000 -0.279) 0.752 8.339 ( -0.794 0.000 2.280) 2.414 8.532 ( 3.944 0.000 -4.861) 6.260 8.591 ( 6.556 0.000 5.765) 8.731 8.764 ( 5.654 0.000 -1.864) 5.953 9.022 ( -3.676 0.000 3.913) 5.369 9.151 ( -3.209 0.000 -1.414) 3.507 9.475 ( 17.933 0.000 5.620) 18.792 9.769 ( 5.661 0.000 -5.377) 7.808 10.183 ( -2.388 0.000 1.038) 2.604 10.191 ( 0.278 0.000 0.874) 0.917 10.241 ( -0.872 0.000 -0.995) 1.323 10.394 ( -10.663 0.000 0.986) 10.709 10.856 ( 3.607 0.000 3.983) 5.374 10.926 ( 0.578 0.000 0.597) 0.831 10.961 ( -0.226 0.000 -0.703) 0.739 11.166 ( 10.729 0.000 -6.414) 12.500 11.250 ( 1.398 0.000 -3.069) 3.373 11.312 ( -0.423 0.000 -5.462) 5.478 12.206 ( -7.213 0.000 10.337) 12.605 12.485 ( -26.451 0.000 8.041) 27.646 12.629 ( -1.077 0.000 -1.320) 1.703 12.695 ( -4.055 0.000 -0.350) 4.070 12.847 ( 0.176 0.000 0.496) 0.526 12.864 ( -0.186 0.000 0.263) 0.322 12.876 ( 0.101 0.000 -0.366) 0.380 12.887 ( -0.127 0.000 -0.378) 0.399 13.666 ( -1.660 0.000 2.626) 3.106 13.743 ( -4.529 0.000 2.050) 4.971 13.945 ( 2.007 0.000 1.183) 2.330 14.069 ( -1.042 0.000 -2.537) 2.743 15.727 ( 8.444 0.000 0.471) 8.458 15.869 ( 10.113 0.000 -7.866) 12.812 16.278 ( 2.591 0.000 -0.602) 2.660 16.371 ( 4.473 0.000 -3.520) 5.692 17.559 ( 1.033 0.000 4.254) 4.378 17.808 ( -1.735 0.000 -4.321) 4.656 18.057 ( -14.404 0.000 10.547) 17.853 18.141 ( -6.948 0.000 2.376) 7.343 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 20.541 0.000 12.637) 24.117 1.293 ( 20.428 0.000 17.784) 27.085 1.607 ( -16.403 0.000 7.377) 17.986 1.670 ( -15.851 0.000 14.860) 21.727 1.843 ( 6.233 0.000 -11.206) 12.823 1.903 ( 27.562 0.000 16.769) 32.262 1.939 ( 9.759 0.000 -11.833) 15.338 2.008 ( -8.795 0.000 -6.912) 11.187 2.253 ( -9.515 0.000 -5.767) 11.126 2.393 ( 2.987 0.000 2.635) 3.984 2.468 ( -3.985 0.000 -0.423) 4.007 2.508 ( -17.739 0.000 0.222) 17.740 2.522 ( 2.144 0.000 -0.508) 2.204 2.565 ( -1.774 0.000 -1.931) 2.622 2.812 ( 5.329 0.000 3.327) 6.282 2.815 ( 12.429 0.000 10.729) 16.420 2.884 ( -1.431 0.000 1.308) 1.939 2.936 ( 2.141 0.000 0.025) 2.141 3.086 ( 3.051 0.000 -5.140) 5.977 3.095 ( 2.890 0.000 0.355) 2.911 3.163 ( -3.407 0.000 -1.635) 3.779 3.187 ( -5.801 0.000 -2.862) 6.469 3.530 ( 6.097 0.000 -0.861) 6.157 3.725 ( -7.913 0.000 -6.528) 10.258 3.876 ( 2.261 0.000 -8.765) 9.052 4.026 ( 4.121 0.000 -9.294) 10.166 4.222 ( -9.621 0.000 -12.076) 15.440 4.350 ( -12.027 0.000 -11.969) 16.968 4.855 ( 3.289 0.000 4.061) 5.226 4.953 ( -0.297 0.000 -0.207) 0.362 5.014 ( 2.785 0.000 2.403) 3.679 5.101 ( -8.051 0.000 3.154) 8.647 5.428 ( 2.496 0.000 6.419) 6.888 5.463 ( -1.008 0.000 7.683) 7.749 5.894 ( 4.413 0.000 2.812) 5.232 5.922 ( 1.061 0.000 -1.092) 1.523 6.061 ( 7.670 0.000 -0.422) 7.682 6.178 ( -1.718 0.000 -1.010) 1.992 6.532 ( 5.774 0.000 6.554) 8.735 6.733 ( -10.818 0.000 -1.397) 10.908 7.545 ( 2.037 0.000 4.116) 4.592 7.603 ( -3.609 0.000 3.055) 4.729 8.021 ( 1.290 0.000 -6.554) 6.680 8.057 ( -2.329 0.000 -6.331) 6.746 8.186 ( 2.014 0.000 -1.374) 2.438 8.252 ( -3.140 0.000 -2.732) 4.163 8.438 ( 7.437 0.000 3.558) 8.245 8.546 ( -2.707 0.000 -0.684) 2.792 8.744 ( 8.027 0.000 4.759) 9.332 8.869 ( -0.328 0.000 0.971) 1.024 8.948 ( 0.972 0.000 1.581) 1.855 9.058 ( -5.912 0.000 -1.462) 6.090 9.884 ( 18.157 0.000 -1.176) 18.195 9.927 ( 9.481 0.000 -1.707) 9.634 10.121 ( -4.044 0.000 -0.002) 4.044 10.201 ( 0.745 0.000 0.299) 0.803 10.205 ( -8.898 0.000 -0.962) 8.950 10.220 ( -1.107 0.000 -0.413) 1.182 10.849 ( 0.863 0.000 7.397) 7.447 10.940 ( 0.750 0.000 0.172) 0.770 10.953 ( -0.535 0.000 -0.321) 0.625 11.031 ( -15.663 0.000 2.669) 15.889 11.420 ( 12.590 0.000 -2.208) 12.783 11.477 ( 8.968 0.000 -3.200) 9.522 11.994 ( -9.984 0.000 4.738) 11.051 12.039 ( -16.149 0.000 4.627) 16.798 12.646 ( 1.997 0.000 -2.755) 3.403 12.672 ( -0.418 0.000 -2.740) 2.772 12.852 ( 0.298 0.000 0.449) 0.539 12.858 ( -0.309 0.000 0.372) 0.484 12.879 ( 0.189 0.000 -0.407) 0.449 12.883 ( -0.200 0.000 -0.400) 0.447 13.644 ( -0.185 0.000 1.533) 1.544 13.668 ( -2.629 0.000 1.525) 3.039 13.994 ( 2.523 0.000 0.254) 2.535 14.039 ( -1.937 0.000 -1.096) 2.226 15.899 ( 7.439 0.000 0.683) 7.470 15.975 ( 0.588 0.000 -2.505) 2.573 16.344 ( 3.442 0.000 -0.732) 3.519 16.399 ( -1.403 0.000 -1.499) 2.053 17.604 ( 3.730 0.000 1.641) 4.075 17.710 ( -6.512 0.000 0.650) 6.544 17.940 ( 0.595 0.000 2.397) 2.469 18.006 ( -5.597 0.000 0.567) 5.626 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 17.686 19.382) 26.238 0.870 ( 0.000 19.657 21.313) 28.994 1.532 ( 0.000 33.320 18.654) 38.187 1.682 ( 0.000 12.398 0.029) 12.398 1.764 ( 0.000 10.854 -12.513) 16.564 2.009 ( 0.000 10.665 9.750) 14.450 2.259 ( 0.000 16.562 1.202) 16.605 2.367 ( 0.000 2.087 8.705) 8.952 2.454 ( 0.000 15.031 -2.120) 15.180 2.501 ( 0.000 7.821 -0.651) 7.848 2.560 ( 0.000 7.810 6.675) 10.274 2.612 ( 0.000 5.323 -1.826) 5.628 2.682 ( 0.000 6.922 -8.347) 10.844 2.698 ( 0.000 12.051 2.807) 12.374 2.766 ( 0.000 7.884 -2.940) 8.414 2.819 ( 0.000 15.120 -1.045) 15.156 2.828 ( 0.000 14.758 -3.764) 15.230 2.969 ( 0.000 3.311 -9.747) 10.294 3.058 ( 0.000 14.753 -8.934) 17.248 3.253 ( 0.000 15.621 3.177) 15.940 3.292 ( 0.000 5.551 -18.721) 19.527 3.421 ( 0.000 17.436 -2.590) 17.628 3.583 ( 0.000 2.019 4.486) 4.919 3.748 ( 0.000 2.951 0.207) 2.958 3.991 ( 0.000 0.982 -10.160) 10.208 4.108 ( 0.000 -1.445 20.488) 20.539 4.421 ( 0.000 -0.704 -6.720) 6.757 4.591 ( 0.000 -1.746 0.918) 1.973 4.598 ( 0.000 0.497 2.461) 2.511 4.980 ( 0.000 -1.645 9.575) 9.715 5.123 ( 0.000 -2.438 -10.378) 10.661 5.131 ( 0.000 -7.117 10.873) 12.995 5.460 ( 0.000 -1.733 5.947) 6.195 5.580 ( 0.000 0.174 0.578) 0.604 5.708 ( 0.000 -2.230 2.323) 3.220 5.729 ( 0.000 -0.969 -6.729) 6.798 5.776 ( 0.000 -1.000 -2.270) 2.481 5.942 ( 0.000 -3.198 -1.722) 3.632 6.568 ( 0.000 -6.899 6.913) 9.767 6.793 ( 0.000 -9.821 -2.401) 10.111 7.860 ( 0.000 9.477 -1.711) 9.631 7.897 ( 0.000 19.307 -12.417) 22.955 7.991 ( 0.000 -3.212 4.502) 5.531 8.125 ( 0.000 12.637 -0.196) 12.638 8.199 ( 0.000 -1.207 -5.346) 5.481 8.289 ( 0.000 2.586 -0.163) 2.591 8.376 ( 0.000 -0.521 -0.904) 1.044 8.433 ( 0.000 2.607 -5.735) 6.300 8.734 ( 0.000 19.138 4.599) 19.683 8.889 ( 0.000 16.878 -1.803) 16.974 9.197 ( 0.000 13.536 3.069) 13.879 9.278 ( 0.000 0.800 9.529) 9.562 9.305 ( 0.000 10.311 0.018) 10.311 9.726 ( 0.000 1.696 -6.695) 6.906 10.047 ( 0.000 -6.639 1.199) 6.747 10.249 ( 0.000 -0.559 -3.543) 3.586 10.334 ( 0.000 4.478 4.210) 6.146 10.620 ( 0.000 3.490 8.594) 9.276 10.651 ( 0.000 -6.146 -5.224) 8.066 10.808 ( 0.000 -5.442 -1.895) 5.763 10.959 ( 0.000 -0.373 -1.359) 1.409 11.060 ( 0.000 0.123 -6.253) 6.254 11.326 ( 0.000 7.057 0.283) 7.063 11.527 ( 0.000 13.376 -15.238) 20.276 12.277 ( 0.000 1.150 10.841) 10.902 12.500 ( 0.000 -19.695 3.329) 19.974 12.539 ( 0.000 -14.556 -1.839) 14.672 12.635 ( 0.000 -9.556 0.217) 9.559 12.823 ( 0.000 -1.131 0.996) 1.507 12.865 ( 0.000 -0.416 -5.022) 5.039 12.888 ( 0.000 4.761 4.971) 6.883 13.074 ( 0.000 5.806 -2.298) 6.245 13.711 ( 0.000 1.498 2.415) 2.842 13.775 ( 0.000 -5.232 0.893) 5.307 13.879 ( 0.000 -4.904 0.508) 4.931 13.998 ( 0.000 -8.142 -3.232) 8.760 15.775 ( 0.000 6.866 -0.425) 6.879 15.847 ( 0.000 12.257 -8.321) 14.815 16.251 ( 0.000 -2.403 -1.006) 2.604 16.320 ( 0.000 4.206 -6.188) 7.482 17.479 ( 0.000 -7.194 5.061) 8.796 17.716 ( 0.000 -10.170 -3.789) 10.852 18.029 ( 0.000 -22.206 12.066) 25.273 18.080 ( 0.000 -12.540 2.295) 12.748 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 15.990 12.191 17.184) 26.450 1.047 ( 14.315 15.052 18.667) 27.927 1.669 ( 10.720 16.058 -2.009) 19.412 1.780 ( 9.369 20.948 12.776) 26.265 1.865 ( 8.389 14.802 -10.788) 20.146 1.996 ( -3.737 8.465 7.144) 11.690 2.130 ( -11.839 14.786 2.158) 19.064 2.347 ( -5.559 13.207 -1.454) 14.402 2.444 ( -0.009 7.044 4.545) 8.383 2.497 ( 3.459 4.736 6.913) 9.065 2.525 ( -1.252 9.800 -0.937) 9.924 2.647 ( -2.024 9.457 -5.685) 11.218 2.664 ( -0.655 4.773 0.023) 4.817 2.735 ( -1.381 13.802 -2.103) 14.030 2.743 ( 2.677 10.099 0.092) 10.448 2.845 ( 6.636 11.894 1.169) 13.670 2.918 ( 4.334 13.002 -3.036) 14.037 3.002 ( 3.345 5.338 -10.431) 12.186 3.068 ( 1.625 13.071 -6.121) 14.524 3.244 ( -0.187 11.853 -0.027) 11.855 3.308 ( 0.823 11.151 -9.934) 14.957 3.401 ( -1.864 17.087 -2.466) 17.365 3.517 ( -2.936 2.121 6.516) 7.455 3.796 ( 0.666 3.955 -3.954) 5.632 3.971 ( -7.235 -0.923 7.928) 10.772 4.026 ( -3.057 -1.858 -5.821) 6.832 4.322 ( -4.290 -0.570 -10.973) 11.796 4.547 ( -6.314 -2.700 -8.552) 10.968 4.789 ( 10.767 -2.863 5.291) 12.334 4.923 ( -5.447 -0.826 12.127) 13.320 4.950 ( -4.287 -1.992 2.009) 5.136 5.205 ( -1.820 -4.346 -3.771) 6.035 5.406 ( -5.730 -1.731 5.398) 8.060 5.468 ( -3.979 -2.781 5.769) 7.540 5.754 ( 5.335 -1.796 4.067) 6.944 5.821 ( 9.217 -3.270 -2.479) 10.089 5.875 ( 3.561 -0.225 -3.315) 4.871 6.052 ( 8.471 -3.035 -5.927) 10.775 6.476 ( -6.309 -7.267 9.928) 13.827 6.788 ( -2.343 -8.273 -3.688) 9.356 7.850 ( -0.296 13.994 -2.265) 14.179 7.865 ( -0.953 18.506 -5.502) 19.330 8.084 ( 0.301 3.958 -0.158) 3.973 8.112 ( -0.411 4.913 -2.707) 5.625 8.194 ( -1.276 -1.901 -1.261) 2.613 8.256 ( 1.658 3.681 -2.086) 4.544 8.323 ( 1.269 0.418 2.755) 3.062 8.551 ( 4.125 2.731 -5.384) 7.311 8.767 ( 3.804 17.280 5.268) 18.461 8.924 ( 3.625 14.968 -1.637) 15.488 9.155 ( -3.605 12.683 3.325) 13.599 9.260 ( -3.879 10.271 -0.748) 11.005 9.471 ( 17.108 0.172 6.717) 18.380 9.769 ( 4.805 0.406 -4.687) 6.725 10.066 ( 1.530 -4.954 0.976) 5.276 10.228 ( -1.853 -1.252 -1.906) 2.939 10.302 ( -2.555 4.396 1.885) 5.423 10.418 ( -9.017 2.055 -0.000) 9.248 10.799 ( 2.845 -7.882 2.025) 8.621 10.831 ( 0.891 -1.692 0.584) 2.000 10.963 ( 1.347 0.103 2.814) 3.122 11.168 ( 9.101 -0.697 -6.297) 11.089 11.327 ( 2.134 4.971 -0.768) 5.464 11.446 ( -8.682 9.210 -11.308) 16.973 12.206 ( -8.732 -0.670 10.227) 13.464 12.361 ( -12.690 -11.175 6.394) 18.078 12.504 ( -4.011 -13.703 -3.077) 14.606 12.592 ( -4.862 -5.331 -2.326) 7.581 12.772 ( -2.142 -7.348 0.428) 7.666 12.844 ( 0.447 -0.697 -1.375) 1.605 12.901 ( -1.194 4.978 2.408) 5.657 12.983 ( -0.638 7.996 -0.113) 8.022 13.666 ( -2.615 -1.161 1.470) 3.217 13.736 ( -3.570 -2.655 0.926) 4.544 13.917 ( 3.056 -3.355 0.868) 4.620 14.022 ( 1.022 -5.450 -2.374) 6.032 15.814 ( 5.036 6.618 0.330) 8.322 15.937 ( 5.309 4.723 -6.451) 9.597 16.270 ( 2.625 -1.229 -0.349) 2.920 16.386 ( 3.397 1.433 -5.045) 6.249 17.484 ( 0.722 -7.506 3.909) 8.493 17.701 ( -2.293 -10.654 -2.560) 11.195 17.905 ( -7.243 -13.157 9.968) 18.026 18.018 ( -5.569 -11.849 1.477) 13.176 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 20.636 9.821 12.534) 26.065 1.378 ( 18.484 8.575 14.534) 25.029 1.674 ( -12.248 5.016 8.783) 15.885 1.776 ( -18.591 10.007 8.694) 22.833 1.987 ( 8.748 9.044 -9.593) 15.822 2.043 ( 9.505 14.669 -12.295) 21.370 2.122 ( 6.729 18.410 3.914) 19.988 2.219 ( -0.894 20.080 -2.291) 20.230 2.308 ( -7.019 6.760 -4.957) 10.933 2.489 ( -3.095 9.969 0.628) 10.457 2.580 ( -3.233 11.364 3.201) 12.241 2.630 ( -3.903 10.894 2.528) 11.845 2.668 ( 2.947 13.969 -0.856) 14.302 2.711 ( -1.162 13.124 -1.522) 13.262 2.837 ( 10.361 3.109 10.262) 14.910 2.973 ( 5.283 13.040 4.310) 14.715 2.993 ( -0.524 9.816 0.279) 9.834 3.033 ( 0.987 13.457 0.149) 13.494 3.106 ( 0.993 4.920 -1.183) 5.157 3.207 ( -5.275 6.538 -0.891) 8.448 3.316 ( 1.232 17.322 -1.130) 17.403 3.357 ( -2.363 16.324 -1.337) 16.549 3.537 ( 5.774 1.607 -0.685) 6.032 3.712 ( -7.616 -0.488 -3.994) 8.614 3.888 ( 1.223 1.507 -7.636) 7.879 4.031 ( 2.766 1.197 -10.845) 11.256 4.191 ( -6.442 -2.251 -11.334) 13.229 4.348 ( -11.448 -0.020 -12.650) 17.062 4.850 ( 2.770 -0.596 3.960) 4.870 4.935 ( 0.312 -1.788 -0.185) 1.824 4.967 ( 3.139 -3.330 4.390) 6.341 5.055 ( -8.109 -3.977 2.685) 9.422 5.386 ( 1.892 -3.915 7.378) 8.564 5.426 ( -1.751 -3.454 9.140) 9.927 5.861 ( 4.094 -3.319 1.180) 5.401 5.899 ( 0.252 -2.152 -1.615) 2.703 6.016 ( 8.170 -2.971 0.926) 8.743 6.140 ( -2.383 -2.812 -0.656) 3.744 6.460 ( 7.146 -5.731 4.362) 10.146 6.661 ( -9.872 -6.193 -2.742) 11.972 7.848 ( 0.287 18.597 0.011) 18.599 7.860 ( -0.339 24.465 -1.953) 24.545 8.044 ( -1.990 -2.016 -3.197) 4.271 8.052 ( -1.777 3.017 -4.142) 5.424 8.228 ( 2.722 3.704 -0.673) 4.645 8.278 ( -1.633 3.335 -1.166) 3.893 8.430 ( 7.441 -0.393 2.508) 7.862 8.549 ( -3.741 0.881 -1.681) 4.195 8.885 ( 7.163 13.997 4.375) 16.321 8.998 ( -0.126 12.278 0.561) 12.292 9.077 ( -0.645 12.720 1.751) 12.857 9.163 ( -5.480 10.142 -0.632) 11.546 9.863 ( 18.109 -2.192 -0.164) 18.242 9.918 ( 8.851 -0.091 -2.288) 9.142 10.074 ( -2.217 -1.845 -0.452) 2.919 10.134 ( -7.730 -3.379 -2.262) 8.734 10.276 ( 0.489 3.715 2.146) 4.318 10.307 ( -2.358 5.539 0.956) 6.095 10.800 ( 0.933 -5.018 1.379) 5.287 10.845 ( -0.432 -4.928 0.978) 5.042 10.958 ( -0.577 1.359 5.880) 6.063 11.091 ( -14.990 2.510 0.828) 15.221 11.447 ( 11.395 2.126 -2.670) 11.895 11.489 ( 8.349 0.542 -3.183) 8.952 11.980 ( -9.556 -1.654 4.996) 10.909 12.040 ( -15.609 0.418 3.319) 15.964 12.468 ( 0.548 -13.735 -4.332) 14.412 12.506 ( -3.105 -11.386 -4.756) 12.724 12.783 ( 1.852 -7.224 2.573) 7.889 12.823 ( -1.961 -4.294 2.209) 5.212 12.944 ( 3.721 6.106 -0.519) 7.170 12.991 ( -0.567 8.444 -1.515) 8.598 13.637 ( -0.081 -1.778 1.189) 2.140 13.666 ( -2.851 -1.596 1.035) 3.428 13.977 ( 2.664 -2.686 0.071) 3.783 14.018 ( -1.308 -3.261 -1.173) 3.704 15.938 ( 5.853 3.326 0.580) 6.757 16.000 ( 0.270 2.017 -1.891) 2.778 16.339 ( 3.669 -0.753 -0.244) 3.754 16.399 ( -1.825 -0.075 -1.521) 2.377 17.521 ( 3.201 -8.312 1.398) 9.016 17.611 ( -5.482 -9.637 0.572) 11.102 17.848 ( 0.714 -9.147 1.993) 9.389 17.904 ( -4.734 -10.070 0.465) 11.137 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 21.446 11.175) 24.183 1.293 ( 0.000 22.295 11.272) 24.982 1.811 ( 0.000 11.002 -10.875) 15.469 1.965 ( 0.000 11.276 -5.431) 12.515 2.286 ( 0.000 13.659 -5.351) 14.669 2.395 ( 0.000 5.359 11.418) 12.613 2.433 ( 0.000 35.488 12.411) 37.596 2.544 ( 0.000 1.732 -1.202) 2.108 2.611 ( 0.000 10.277 -3.943) 11.007 2.665 ( 0.000 17.108 0.329) 17.111 2.799 ( 0.000 17.574 1.816) 17.668 2.844 ( 0.000 3.866 -12.267) 12.862 2.927 ( 0.000 24.165 -1.936) 24.243 3.003 ( 0.000 17.525 8.159) 19.331 3.055 ( 0.000 19.505 -0.683) 19.516 3.110 ( 0.000 14.315 -0.329) 14.319 3.207 ( 0.000 22.568 1.505) 22.618 3.260 ( 0.000 24.510 -1.725) 24.571 3.397 ( 0.000 16.378 -6.678) 17.688 3.468 ( 0.000 11.729 -0.159) 11.730 3.545 ( 0.000 15.248 8.077) 17.255 3.779 ( 0.000 17.375 1.589) 17.448 3.848 ( 0.000 20.071 -4.430) 20.554 3.902 ( 0.000 19.003 -8.955) 21.007 4.037 ( 0.000 4.698 -11.928) 12.820 4.120 ( 0.000 5.004 16.488) 17.230 4.408 ( 0.000 -1.587 -15.692) 15.772 4.583 ( 0.000 2.425 8.326) 8.672 4.612 ( 0.000 0.967 -0.824) 1.270 4.940 ( 0.000 -2.169 9.451) 9.697 5.006 ( 0.000 -6.377 9.053) 11.073 5.066 ( 0.000 -2.940 -10.204) 10.619 5.418 ( 0.000 -2.206 5.198) 5.647 5.576 ( 0.000 -1.524 -2.179) 2.659 5.656 ( 0.000 -2.735 4.449) 5.223 5.703 ( 0.000 -0.668 -1.337) 1.495 5.764 ( 0.000 -0.113 -1.553) 1.557 5.895 ( 0.000 -1.106 -2.503) 2.736 6.437 ( 0.000 -5.729 2.064) 6.089 6.575 ( 0.000 -11.693 -2.857) 12.037 7.878 ( 0.000 -4.014 3.874) 5.579 7.978 ( 0.000 -0.829 -0.198) 0.852 8.081 ( 0.000 -3.154 -5.949) 6.734 8.167 ( 0.000 3.925 -7.970) 8.884 8.287 ( 0.000 -1.312 1.146) 1.742 8.377 ( 0.000 1.705 -2.574) 3.087 8.478 ( 0.000 18.278 2.082) 18.397 8.620 ( 0.000 12.826 -3.262) 13.235 9.159 ( 0.000 20.447 2.390) 20.587 9.260 ( 0.000 18.404 -1.543) 18.468 9.338 ( 0.000 8.104 12.604) 14.984 9.527 ( 0.000 8.746 0.877) 8.789 9.543 ( 0.000 20.183 0.131) 20.184 9.776 ( 0.000 4.363 -2.697) 5.129 9.973 ( 0.000 -0.413 0.999) 1.081 10.212 ( 0.000 -2.948 -8.455) 8.954 10.362 ( 0.000 -0.308 4.107) 4.119 10.487 ( 0.000 -8.909 -1.261) 8.998 10.735 ( 0.000 -3.195 4.021) 5.136 10.783 ( 0.000 12.821 3.529) 13.298 10.952 ( 0.000 0.111 -2.927) 2.930 11.059 ( 0.000 0.941 -4.470) 4.568 11.466 ( 0.000 6.401 0.536) 6.424 11.675 ( 0.000 2.934 -12.099) 12.449 12.174 ( 0.000 -11.913 1.877) 12.060 12.201 ( 0.000 -13.948 -3.260) 14.324 12.287 ( 0.000 -1.191 8.119) 8.206 12.514 ( 0.000 -5.183 7.069) 8.766 12.793 ( 0.000 -2.458 2.353) 3.403 12.860 ( 0.000 -0.791 -10.296) 10.327 13.019 ( 0.000 7.925 2.097) 8.197 13.171 ( 0.000 3.428 0.469) 3.460 13.590 ( 0.000 -12.790 2.643) 13.061 13.708 ( 0.000 -2.648 -0.253) 2.660 13.747 ( 0.000 -8.788 -0.818) 8.826 13.780 ( 0.000 -13.421 -3.398) 13.845 15.885 ( 0.000 3.079 -0.109) 3.081 15.968 ( 0.000 2.134 -4.649) 5.115 16.198 ( 0.000 -2.528 1.711) 3.053 16.381 ( 0.000 1.235 -7.485) 7.586 17.282 ( 0.000 -12.545 3.737) 13.089 17.440 ( 0.000 -17.068 -0.545) 17.077 17.629 ( 0.000 -19.457 8.108) 21.079 17.753 ( 0.000 -19.988 0.880) 20.008 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 9.093 19.174 10.701) 23.766 1.395 ( 9.016 19.329 11.769) 24.360 1.836 ( 2.740 9.133 -9.083) 13.169 2.047 ( 4.745 10.682 -3.509) 12.203 2.256 ( -2.453 13.347 -10.306) 17.041 2.386 ( -11.421 9.317 1.969) 14.870 2.466 ( 5.087 8.181 6.871) 11.833 2.501 ( -3.073 9.105 -1.431) 9.715 2.626 ( 11.209 31.841 13.410) 36.322 2.712 ( -1.030 10.751 -5.144) 11.962 2.794 ( 1.964 8.298 -3.650) 9.275 2.834 ( 0.568 19.786 2.346) 19.933 2.911 ( -0.984 21.368 -1.125) 21.420 3.018 ( -1.418 16.281 -0.619) 16.354 3.104 ( 4.838 15.867 0.293) 16.590 3.123 ( 0.064 18.805 0.096) 18.806 3.204 ( 2.747 17.405 0.785) 17.638 3.285 ( 1.857 20.771 1.126) 20.884 3.393 ( -0.491 15.814 -4.152) 16.357 3.464 ( -1.219 13.479 2.211) 13.713 3.564 ( 2.212 14.941 5.982) 16.245 3.748 ( -0.664 19.981 -1.990) 20.091 3.829 ( -3.682 24.441 -2.934) 24.890 3.966 ( 1.072 11.435 -3.875) 12.121 4.006 ( -4.692 6.672 5.537) 9.858 4.021 ( -2.661 6.262 -8.882) 11.189 4.342 ( -5.985 2.410 -12.520) 14.085 4.507 ( -4.765 -0.322 -6.533) 8.093 4.753 ( 7.291 -0.822 5.073) 8.920 4.883 ( -4.316 -3.659 6.475) 8.599 4.923 ( -1.035 -0.031 7.210) 7.284 5.114 ( -2.830 -4.265 -3.036) 5.951 5.361 ( -5.168 -2.946 3.868) 7.096 5.405 ( -6.217 -3.109 3.551) 7.806 5.689 ( 3.201 -4.015 2.895) 5.895 5.805 ( 8.432 1.113 0.731) 8.537 5.872 ( 1.242 -0.117 -3.531) 3.745 5.991 ( 10.494 -2.935 -4.627) 11.839 6.340 ( -6.056 -6.251 5.892) 10.511 6.601 ( -0.345 -10.124 -4.600) 11.125 7.933 ( 1.504 -1.777 1.299) 2.666 7.987 ( 3.584 -3.400 2.090) 5.364 8.127 ( -1.831 -3.772 -3.441) 5.423 8.162 ( 5.317 2.799 -7.467) 9.584 8.298 ( 1.936 3.192 0.361) 3.750 8.366 ( 0.121 8.481 -2.842) 8.945 8.473 ( -0.709 15.718 2.755) 15.973 8.661 ( 0.938 7.952 -4.263) 9.071 9.185 ( 1.931 22.426 2.786) 22.681 9.267 ( 1.506 17.747 -0.661) 17.823 9.408 ( 3.607 8.803 5.396) 10.937 9.467 ( -4.038 8.108 0.969) 9.109 9.581 ( 6.558 15.181 4.280) 17.082 9.825 ( 4.574 6.637 -2.196) 8.354 10.009 ( 3.409 -0.639 1.159) 3.657 10.192 ( -2.516 -2.294 -4.224) 5.425 10.347 ( -2.677 0.396 0.752) 2.809 10.414 ( -2.820 -3.247 -1.703) 4.625 10.697 ( -1.442 -2.200 4.976) 5.628 10.864 ( -1.573 4.518 -1.154) 4.921 10.968 ( 6.115 2.632 2.659) 7.169 11.137 ( 5.961 -1.900 -3.545) 7.191 11.420 ( -2.600 4.007 -0.196) 4.781 11.561 ( -10.268 2.832 -9.023) 13.960 12.093 ( -7.391 -8.900 4.976) 12.593 12.201 ( -0.054 -11.473 -3.709) 12.057 12.249 ( -4.580 -1.918 2.997) 5.800 12.532 ( -1.168 -2.538 3.806) 4.722 12.648 ( -8.736 -4.406 0.562) 9.800 12.840 ( -4.368 -0.177 -2.893) 5.242 13.035 ( -0.010 7.604 0.508) 7.621 13.121 ( 0.804 5.092 0.189) 5.158 13.554 ( -2.119 -10.937 0.716) 11.163 13.632 ( -4.024 -7.343 -0.100) 8.374 13.804 ( 3.371 -8.332 -0.636) 9.011 13.852 ( 3.311 -11.383 -1.595) 11.962 15.917 ( 3.254 3.025 -0.128) 4.445 15.996 ( 2.353 1.336 -3.964) 4.799 16.232 ( 3.243 -2.231 2.080) 4.452 16.402 ( 0.995 -0.236 -4.812) 4.920 17.279 ( -0.034 -13.035 2.940) 13.363 17.423 ( -2.063 -16.811 0.087) 16.937 17.606 ( -1.310 -17.087 4.983) 17.847 17.709 ( -3.767 -18.918 0.512) 19.296 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 19.310 12.609 8.699) 24.648 1.613 ( 12.028 14.458 10.568) 21.572 1.819 ( -7.016 9.863 4.999) 13.096 1.967 ( -18.446 9.500 4.117) 21.153 2.168 ( 5.074 9.264 -8.563) 13.597 2.332 ( -4.727 9.473 -12.385) 16.293 2.387 ( 3.172 12.277 -11.683) 17.242 2.564 ( -9.054 13.384 -12.953) 20.709 2.649 ( 10.497 12.782 10.149) 19.405 2.815 ( -2.495 17.085 4.100) 17.747 2.853 ( 0.880 18.825 5.490) 19.629 2.892 ( -1.755 18.122 3.897) 18.619 2.939 ( 10.403 17.405 3.983) 20.665 3.001 ( -0.182 16.494 -1.192) 16.538 3.099 ( 4.015 23.506 6.559) 24.732 3.219 ( 0.970 15.822 3.784) 16.297 3.262 ( 5.047 12.558 -0.515) 13.545 3.354 ( 1.653 19.801 -1.332) 19.915 3.374 ( -1.196 16.056 -1.116) 16.139 3.398 ( -5.229 11.729 3.337) 13.268 3.624 ( 3.479 15.276 3.624) 16.080 3.712 ( -4.973 14.193 -0.838) 15.062 3.770 ( 0.797 18.409 -1.910) 18.525 3.812 ( -5.015 20.611 1.464) 21.263 3.966 ( 0.898 8.018 -1.639) 8.233 4.113 ( -5.916 7.475 -10.288) 14.025 4.184 ( 3.015 4.270 -13.425) 14.407 4.371 ( -8.835 3.682 -14.187) 17.114 4.833 ( 3.107 -0.809 3.589) 4.816 4.888 ( 2.337 -2.832 0.097) 3.673 4.932 ( 0.124 0.298 3.806) 3.819 4.976 ( -7.108 -3.520 1.862) 8.148 5.296 ( 0.559 -4.675 8.032) 9.310 5.345 ( -2.956 -4.303 9.429) 10.777 5.777 ( 4.758 -4.715 -1.419) 6.847 5.851 ( -2.198 -2.625 -2.974) 4.535 5.982 ( 7.673 -0.406 2.454) 8.066 6.100 ( -2.707 -0.887 0.184) 2.855 6.337 ( 8.001 -6.896 1.199) 10.630 6.519 ( -7.698 -8.059 -4.306) 11.948 7.948 ( 1.188 -2.548 0.492) 2.854 7.989 ( -2.714 -3.178 0.080) 4.180 8.179 ( 5.470 0.761 -0.100) 5.523 8.244 ( 0.223 7.003 -4.686) 8.429 8.360 ( 3.258 6.479 -1.258) 7.360 8.388 ( 0.899 12.236 -3.265) 12.696 8.469 ( 2.731 8.231 1.960) 8.891 8.594 ( -6.756 3.508 -2.541) 8.026 9.246 ( 4.149 20.932 3.259) 21.586 9.296 ( 0.509 16.676 1.527) 16.754 9.394 ( -2.475 17.110 1.081) 17.322 9.401 ( -2.626 12.691 1.195) 13.015 9.836 ( 14.152 0.784 0.838) 14.199 9.954 ( 6.729 4.522 -1.092) 8.180 10.070 ( 0.065 1.335 0.351) 1.382 10.083 ( -6.718 -1.560 -3.780) 7.865 10.321 ( 2.287 1.414 2.399) 3.603 10.396 ( -1.644 2.795 2.444) 4.060 10.696 ( 2.839 -4.135 0.737) 5.070 10.795 ( -4.240 -1.210 -0.798) 4.481 11.019 ( -1.289 4.963 3.701) 6.324 11.103 ( -10.322 -1.268 -0.103) 10.400 11.475 ( 6.577 -1.264 -1.221) 6.807 11.478 ( 5.172 0.638 -1.914) 5.551 11.936 ( -4.670 -1.921 4.233) 6.589 12.059 ( -13.444 1.280 0.391) 13.511 12.231 ( 3.181 -7.972 -6.094) 10.527 12.344 ( -9.018 -4.333 -7.422) 12.457 12.657 ( 4.162 -4.686 7.604) 9.854 12.745 ( -4.547 -3.041 5.745) 7.933 13.078 ( 4.222 7.151 -2.418) 8.649 13.145 ( -1.073 6.945 -3.369) 7.793 13.533 ( 0.419 -9.445 0.880) 9.495 13.567 ( -2.576 -8.722 0.928) 9.142 13.857 ( 1.886 -9.836 -0.676) 10.038 13.880 ( -0.236 -10.886 -1.163) 10.951 15.996 ( 3.713 1.873 -0.273) 4.168 16.032 ( 0.429 0.909 -1.789) 2.052 16.312 ( 4.253 -1.912 1.697) 4.963 16.386 ( -2.682 -1.387 -0.463) 3.055 17.296 ( 2.058 -14.142 0.749) 14.310 17.359 ( -3.791 -15.482 0.078) 15.939 17.600 ( 0.693 -15.665 1.248) 15.730 17.635 ( -2.917 -16.777 0.306) 17.031 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 19.139 5.984) 20.053 1.704 ( 0.000 19.264 3.129) 19.516 2.052 ( 0.000 13.383 -3.041) 13.724 2.223 ( 0.000 14.719 -4.810) 15.485 2.433 ( 0.000 1.545 6.906) 7.076 2.474 ( 0.000 4.831 -3.545) 5.992 2.584 ( 0.000 4.105 -2.931) 5.044 2.632 ( 0.000 5.571 -7.075) 9.005 2.860 ( 0.000 7.269 -10.265) 12.578 2.880 ( 0.000 1.391 -13.077) 13.151 3.190 ( 0.000 10.207 7.856) 12.880 3.202 ( 0.000 6.741 5.610) 8.770 3.324 ( 0.000 19.887 9.993) 22.256 3.396 ( 0.000 34.985 5.740) 35.453 3.477 ( 0.000 21.552 -0.184) 21.553 3.494 ( 0.000 28.424 4.479) 28.774 3.603 ( 0.000 15.744 5.536) 16.689 3.625 ( 0.000 14.281 -2.037) 14.426 3.735 ( 0.000 16.519 3.741) 16.937 3.815 ( 0.000 12.894 5.931) 14.193 3.833 ( 0.000 22.044 2.408) 22.176 4.103 ( 0.000 8.778 -4.009) 9.650 4.105 ( 0.000 18.325 6.903) 19.582 4.309 ( 0.000 23.257 -16.368) 28.440 4.341 ( 0.000 -4.489 -13.351) 14.085 4.420 ( 0.000 26.331 -5.715) 26.944 4.422 ( 0.000 23.498 0.469) 23.503 4.655 ( 0.000 5.276 -2.116) 5.685 4.733 ( 0.000 12.692 5.120) 13.686 4.877 ( 0.000 -6.186 7.369) 9.621 4.908 ( 0.000 -0.804 4.107) 4.185 5.029 ( 0.000 -0.459 -9.242) 9.254 5.399 ( 0.000 1.447 4.300) 4.537 5.511 ( 0.000 -3.837 -0.792) 3.918 5.617 ( 0.000 -0.518 7.977) 7.994 5.741 ( 0.000 4.172 -0.457) 4.196 5.771 ( 0.000 0.752 -0.760) 1.069 5.892 ( 0.000 0.607 -2.914) 2.977 6.357 ( 0.000 -2.410 -0.961) 2.594 6.362 ( 0.000 -9.512 -0.967) 9.561 7.808 ( 0.000 -2.710 2.503) 3.689 7.929 ( 0.000 -3.112 4.606) 5.559 7.986 ( 0.000 -4.402 -5.301) 6.890 8.177 ( 0.000 -2.156 -1.365) 2.551 8.324 ( 0.000 3.604 -2.763) 4.542 8.405 ( 0.000 1.535 -3.570) 3.886 8.751 ( 0.000 8.582 1.637) 8.736 8.827 ( 0.000 7.337 -1.394) 7.468 9.407 ( 0.000 8.056 7.151) 10.771 9.523 ( 0.000 8.153 -0.503) 8.168 9.558 ( 0.000 -0.455 5.291) 5.310 9.633 ( 0.000 11.418 3.185) 11.854 9.816 ( 0.000 7.932 -4.558) 9.149 10.000 ( 0.000 1.508 3.167) 3.508 10.005 ( 0.000 13.564 -6.384) 14.991 10.177 ( 0.000 3.067 -2.736) 4.110 10.301 ( 0.000 -10.491 -2.507) 10.786 10.402 ( 0.000 5.962 -2.336) 6.404 10.721 ( 0.000 3.495 6.397) 7.289 10.991 ( 0.000 4.836 -4.493) 6.601 11.086 ( 0.000 16.499 2.118) 16.634 11.115 ( 0.000 4.360 2.570) 5.061 11.564 ( 0.000 3.812 0.544) 3.850 11.682 ( 0.000 -1.589 -5.301) 5.534 12.037 ( 0.000 -2.143 -1.182) 2.448 12.061 ( 0.000 -1.139 -5.724) 5.836 12.224 ( 0.000 -5.789 6.345) 8.590 12.460 ( 0.000 0.725 10.388) 10.414 12.723 ( 0.000 -4.614 5.673) 7.313 12.785 ( 0.000 -8.747 -11.583) 14.514 13.147 ( 0.000 -7.444 2.560) 7.872 13.166 ( 0.000 5.874 -2.112) 6.243 13.363 ( 0.000 -8.111 6.487) 10.386 13.516 ( 0.000 -12.040 -4.589) 12.884 13.548 ( 0.000 -10.257 -4.475) 11.191 13.591 ( 0.000 -9.139 -1.627) 9.283 15.885 ( 0.000 -2.426 -0.678) 2.520 15.982 ( 0.000 -0.129 -4.853) 4.855 16.160 ( 0.000 -1.536 4.928) 5.162 16.373 ( 0.000 -1.495 -3.762) 4.048 17.011 ( 0.000 -14.621 2.384) 14.814 17.089 ( 0.000 -18.213 1.009) 18.241 17.242 ( 0.000 -20.242 3.124) 20.481 17.340 ( 0.000 -21.351 -0.321) 21.353 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 5.411 18.747 5.989) 20.410 1.759 ( 5.441 17.270 3.624) 18.466 2.052 ( 0.797 12.626 -2.924) 12.985 2.280 ( 3.521 12.383 -4.289) 13.570 2.437 ( -7.747 5.965 -6.730) 11.870 2.512 ( 7.631 1.860 6.059) 9.919 2.546 ( -3.593 6.443 -2.013) 7.646 2.587 ( -0.910 5.933 -4.538) 7.524 2.830 ( -0.790 4.176 -7.708) 8.802 2.911 ( 1.081 5.012 -8.147) 9.626 3.148 ( 1.182 5.952 3.783) 7.151 3.274 ( 2.349 11.850 3.646) 12.619 3.326 ( -0.549 14.270 10.048) 17.461 3.392 ( -6.196 17.306 0.261) 18.384 3.453 ( 3.868 32.550 3.099) 32.925 3.509 ( 0.190 20.873 1.921) 20.962 3.580 ( -0.649 24.763 4.038) 25.099 3.613 ( 1.025 16.135 1.482) 16.235 3.715 ( -0.105 9.903 5.380) 11.270 3.791 ( -2.544 22.297 -1.606) 22.499 3.949 ( 7.036 20.419 4.537) 22.068 4.054 ( -4.310 7.767 -0.589) 8.902 4.103 ( -0.563 18.811 8.084) 20.483 4.234 ( -5.717 9.683 -11.344) 15.973 4.350 ( 1.341 22.513 -12.052) 25.571 4.416 ( 1.091 16.507 -6.100) 17.631 4.435 ( -2.599 20.507 -3.503) 20.965 4.614 ( -2.983 11.613 -3.806) 12.579 4.771 ( 0.808 1.303 4.296) 4.561 4.818 ( 0.051 0.984 2.311) 2.512 4.945 ( 3.476 2.715 4.596) 6.370 5.074 ( -1.840 1.072 -2.654) 3.402 5.289 ( -4.812 -3.221 2.966) 6.506 5.391 ( -7.856 2.680 -1.322) 8.405 5.628 ( 1.534 -1.556 6.541) 6.896 5.851 ( 7.758 2.870 0.699) 8.302 5.868 ( -1.695 0.350 -2.863) 3.345 5.937 ( 11.260 -2.865 -1.725) 11.746 6.244 ( -5.889 -3.482 2.803) 7.394 6.418 ( 0.230 -7.988 -3.683) 8.799 7.881 ( 5.058 -3.005 2.678) 6.464 7.909 ( 0.266 -2.952 4.447) 5.344 8.046 ( 1.964 -3.956 -4.119) 6.039 8.159 ( 2.487 -1.559 -3.542) 4.601 8.349 ( 1.672 1.878 0.455) 2.556 8.477 ( 5.661 3.681 -3.217) 7.480 8.731 ( -1.710 8.843 0.075) 9.007 8.797 ( -4.291 4.632 -2.278) 6.713 9.480 ( 4.205 2.230 2.589) 5.419 9.508 ( 1.817 7.813 1.315) 8.128 9.554 ( 1.405 8.721 2.992) 9.327 9.649 ( 2.293 11.568 4.087) 12.481 9.880 ( 1.696 10.719 -1.621) 10.973 9.973 ( 2.490 4.312 3.248) 5.945 10.083 ( 3.696 3.391 -6.715) 8.382 10.152 ( -3.025 4.711 2.758) 6.241 10.301 ( 1.967 -4.386 -3.354) 5.862 10.412 ( 0.897 5.730 -4.471) 7.323 10.695 ( -2.487 2.461 5.479) 6.501 10.915 ( -6.556 2.133 -2.363) 7.288 11.118 ( -0.246 1.967 2.573) 3.249 11.161 ( 4.817 12.224 1.068) 13.183 11.478 ( -6.277 2.503 0.446) 6.772 11.587 ( -7.420 0.549 -4.246) 8.566 11.979 ( -3.939 -2.304 1.303) 4.745 12.089 ( 1.699 0.212 -6.873) 7.083 12.218 ( -1.208 -2.595 3.135) 4.246 12.504 ( 2.509 0.496 6.873) 7.333 12.596 ( -8.210 -1.566 1.289) 8.457 12.819 ( -3.725 -2.936 -2.521) 5.371 13.121 ( 1.591 -4.755 2.676) 5.684 13.130 ( -0.325 -3.694 0.495) 3.742 13.341 ( -1.397 -5.748 -0.297) 5.922 13.469 ( -5.454 -7.756 -3.497) 10.106 13.575 ( 2.870 -13.792 -1.835) 14.206 13.623 ( 0.993 -12.086 -1.694) 12.245 15.921 ( 3.286 -2.209 -1.032) 4.091 16.002 ( 1.731 -0.438 -4.635) 4.967 16.192 ( 3.089 -1.861 4.988) 6.156 16.378 ( -0.043 -1.898 -1.817) 2.628 16.997 ( -0.964 -15.232 2.024) 15.396 17.078 ( -1.366 -17.905 0.790) 17.974 17.248 ( 0.598 -19.208 1.725) 19.295 17.316 ( -2.014 -20.489 -0.342) 20.590 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 12.717 13.898 5.449) 19.610 1.895 ( 6.979 13.643 4.224) 15.897 2.042 ( -3.204 12.267 1.500) 12.767 2.155 ( -16.289 9.458 2.376) 18.985 2.354 ( 5.001 10.189 -6.354) 13.008 2.488 ( -6.996 7.970 -9.105) 13.978 2.596 ( 7.252 8.688 -10.735) 15.599 2.706 ( 4.841 3.942 -3.534) 7.174 2.794 ( -0.153 5.934 2.409) 6.406 2.913 ( -3.326 1.753 5.289) 6.489 3.188 ( 2.089 7.438 1.548) 7.879 3.253 ( -4.604 12.183 2.404) 13.244 3.345 ( 3.725 20.978 1.879) 21.389 3.353 ( 5.045 3.257 2.753) 6.605 3.425 ( -4.091 22.301 1.958) 22.758 3.515 ( -5.436 4.114 -2.229) 7.172 3.624 ( 4.168 23.277 2.545) 23.784 3.673 ( 3.665 25.180 3.462) 25.680 3.715 ( 0.973 16.422 -0.770) 16.469 3.735 ( -2.613 21.024 -3.725) 21.511 3.993 ( 1.192 14.836 4.100) 15.439 4.061 ( 3.051 20.900 5.179) 21.747 4.065 ( -4.144 17.863 3.499) 18.668 4.142 ( -2.495 11.040 -0.922) 11.356 4.327 ( -3.529 25.370 -0.181) 25.614 4.351 ( -4.881 19.582 -2.139) 20.294 4.458 ( 4.951 17.185 -11.577) 21.304 4.552 ( -3.598 14.542 -8.199) 17.078 4.818 ( 4.812 -1.396 0.951) 5.100 4.872 ( 3.319 3.484 -1.529) 5.049 4.953 ( -4.492 3.533 -0.040) 5.715 4.991 ( -3.433 6.197 -0.523) 7.103 5.233 ( 0.539 -0.643 6.184) 6.240 5.294 ( -3.483 0.799 4.782) 5.970 5.697 ( 5.147 -2.910 0.290) 5.920 5.801 ( -4.592 -2.144 -2.562) 5.679 5.999 ( 6.611 1.983 2.618) 7.382 6.107 ( -2.459 1.502 1.480) 3.239 6.191 ( 7.755 -7.886 -0.444) 11.069 6.357 ( -6.261 -8.142 -3.974) 11.013 7.903 ( 0.910 -1.453 2.871) 3.344 7.935 ( -1.712 -2.222 2.114) 3.512 8.125 ( 7.708 -3.487 0.510) 8.476 8.245 ( -1.056 -3.143 -2.448) 4.121 8.394 ( 6.851 -0.174 -0.060) 6.853 8.563 ( -2.659 3.858 -5.991) 7.605 8.660 ( -2.238 5.268 0.234) 5.728 8.704 ( -2.535 8.506 -2.120) 9.126 9.558 ( 4.073 3.765 2.468) 6.071 9.581 ( 2.933 10.842 1.573) 11.341 9.592 ( 2.303 11.242 0.369) 11.482 9.677 ( -2.516 11.256 0.751) 11.558 9.911 ( 3.622 5.452 1.178) 6.651 10.012 ( -5.602 -2.739 0.996) 6.314 10.109 ( 7.693 4.453 2.743) 9.302 10.174 ( 1.864 10.641 -1.662) 10.930 10.377 ( 4.252 4.938 -1.031) 6.597 10.439 ( 0.842 4.087 -1.918) 4.593 10.649 ( -0.092 -1.224 1.018) 1.595 10.764 ( -8.740 -2.158 -1.534) 9.133 11.051 ( -3.087 -2.643 2.217) 4.630 11.120 ( -7.855 3.453 -0.184) 8.583 11.476 ( 4.378 3.218 0.699) 5.478 11.515 ( 0.486 3.331 -0.012) 3.366 11.938 ( 2.544 2.293 2.403) 4.184 12.086 ( -6.359 2.302 -2.830) 7.331 12.189 ( 2.155 2.162 -5.557) 6.341 12.328 ( -11.665 1.778 -7.407) 13.932 12.616 ( 4.627 0.597 10.664) 11.640 12.710 ( -4.946 -0.706 7.905) 9.352 13.172 ( 4.442 -1.655 -2.142) 5.202 13.228 ( 5.142 -2.351 -2.321) 6.111 13.290 ( -3.105 -11.183 -0.846) 11.636 13.358 ( -5.195 -9.226 -0.639) 10.607 13.607 ( 0.790 -14.624 -1.586) 14.731 13.622 ( -0.734 -14.251 -1.443) 14.343 15.994 ( 3.261 -2.019 -1.843) 4.256 16.028 ( 0.125 -1.410 -3.333) 3.621 16.271 ( 4.414 -2.075 4.263) 6.478 16.350 ( -2.949 -2.087 1.903) 4.083 16.993 ( 0.951 -16.276 0.376) 16.308 17.034 ( -2.684 -17.204 -0.078) 17.413 17.263 ( 0.727 -18.203 0.338) 18.221 17.280 ( -1.253 -18.815 -0.105) 18.856 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 15.171 2.516) 15.379 2.034 ( 0.000 14.613 -2.618) 14.846 2.310 ( 0.000 12.119 2.366) 12.348 2.466 ( 0.000 2.328 5.965) 6.404 2.479 ( 0.000 5.502 -3.414) 6.475 2.553 ( 0.000 10.308 -0.619) 10.326 2.673 ( 0.000 3.592 -4.204) 5.530 2.759 ( 0.000 6.690 -7.571) 10.103 2.929 ( 0.000 4.426 -8.723) 9.782 3.018 ( 0.000 9.204 -11.591) 14.801 3.239 ( 0.000 0.216 6.662) 6.666 3.251 ( 0.000 -0.126 9.814) 9.815 3.659 ( 0.000 9.198 11.793) 14.956 3.679 ( 0.000 2.487 5.888) 6.392 3.720 ( 0.000 7.956 -5.185) 9.497 3.796 ( 0.000 4.452 6.059) 7.519 3.899 ( 0.000 10.848 3.656) 11.447 4.032 ( 0.000 12.154 -3.801) 12.735 4.048 ( 0.000 12.382 3.183) 12.784 4.127 ( 0.000 8.064 -3.718) 8.879 4.254 ( 0.000 7.723 -1.906) 7.955 4.271 ( 0.000 18.429 4.151) 18.891 4.371 ( 0.000 22.867 -3.344) 23.111 4.483 ( 0.000 17.392 3.426) 17.727 4.672 ( 0.000 12.130 -1.648) 12.241 4.777 ( 0.000 2.342 7.257) 7.626 4.825 ( 0.000 17.425 -6.258) 18.515 4.881 ( 0.000 3.273 -6.861) 7.601 4.914 ( 0.000 22.813 -2.892) 22.996 4.966 ( 0.000 10.678 -6.011) 12.253 5.032 ( 0.000 14.283 0.556) 14.294 5.086 ( 0.000 13.431 -2.549) 13.671 5.480 ( 0.000 1.554 2.254) 2.738 5.520 ( 0.000 10.383 4.765) 11.424 5.689 ( 0.000 9.019 2.137) 9.268 5.801 ( 0.000 3.560 2.483) 4.340 5.824 ( 0.000 3.462 -5.114) 6.176 5.952 ( 0.000 7.531 -0.034) 7.531 6.229 ( 0.000 -3.852 2.588) 4.641 6.340 ( 0.000 0.356 -1.460) 1.503 7.785 ( 0.000 0.609 1.509) 1.627 7.890 ( 0.000 -0.473 6.520) 6.537 7.937 ( 0.000 -0.239 -5.104) 5.110 8.140 ( 0.000 -1.074 0.339) 1.126 8.382 ( 0.000 2.262 -2.197) 3.154 8.438 ( 0.000 1.952 -2.691) 3.324 8.834 ( 0.000 0.841 1.952) 2.126 8.897 ( 0.000 0.094 -0.798) 0.803 9.456 ( 0.000 -3.434 4.593) 5.734 9.534 ( 0.000 1.961 8.752) 8.969 9.630 ( 0.000 4.665 -3.099) 5.601 9.760 ( 0.000 0.182 0.776) 0.797 9.959 ( 0.000 -4.879 -5.159) 7.101 9.996 ( 0.000 4.066 -6.628) 7.776 10.033 ( 0.000 2.481 0.815) 2.611 10.092 ( 0.000 -8.296 -1.888) 8.508 10.443 ( 0.000 13.437 -3.816) 13.968 10.591 ( 0.000 12.180 -4.030) 12.830 10.848 ( 0.000 7.071 4.510) 8.387 11.100 ( 0.000 5.184 -4.855) 7.102 11.209 ( 0.000 5.088 12.209) 13.226 11.364 ( 0.000 9.531 1.914) 9.722 11.637 ( 0.000 -2.733 1.077) 2.937 11.644 ( 0.000 5.789 1.415) 5.960 12.057 ( 0.000 -10.349 2.121) 10.564 12.074 ( 0.000 4.916 -1.698) 5.201 12.084 ( 0.000 1.264 -4.074) 4.265 12.449 ( 0.000 -15.373 -12.287) 19.680 12.609 ( 0.000 5.453 7.998) 9.680 12.623 ( 0.000 -5.295 7.580) 9.246 12.919 ( 0.000 -15.146 7.899) 17.082 13.170 ( 0.000 -5.917 -4.211) 7.262 13.244 ( 0.000 -4.162 1.624) 4.468 13.299 ( 0.000 -13.181 -3.660) 13.679 13.403 ( 0.000 -4.974 -5.137) 7.150 13.470 ( 0.000 0.885 -4.044) 4.140 15.820 ( 0.000 -3.583 -0.517) 3.621 15.974 ( 0.000 -0.482 -7.440) 7.456 16.132 ( 0.000 -1.496 6.669) 6.835 16.341 ( 0.000 -1.485 -0.093) 1.487 16.734 ( 0.000 -13.479 1.984) 13.625 16.751 ( 0.000 -16.029 3.121) 16.330 16.853 ( 0.000 -18.992 -0.001) 18.992 16.955 ( 0.000 -17.237 -1.980) 17.351 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 4.326 14.977 2.426) 15.777 2.059 ( 2.682 13.454 -2.370) 13.922 2.299 ( -0.637 11.670 1.531) 11.787 2.461 ( -0.686 4.909 0.277) 4.964 2.512 ( -0.970 1.710 0.190) 1.975 2.606 ( 3.594 9.094 -0.142) 9.779 2.653 ( 0.530 5.376 -4.722) 7.175 2.743 ( 1.360 8.604 -3.588) 9.421 2.927 ( -0.796 6.130 -7.685) 9.862 3.015 ( -0.403 6.295 -6.738) 9.230 3.201 ( -0.554 1.200 4.167) 4.372 3.305 ( 2.113 -0.511 7.102) 7.427 3.533 ( -6.889 2.807 8.127) 11.018 3.642 ( -5.333 7.316 -4.846) 10.269 3.737 ( -1.289 8.855 1.878) 9.143 3.756 ( -2.147 0.773 5.395) 5.858 3.903 ( -2.838 12.011 1.370) 12.418 3.991 ( 3.344 14.124 5.689) 15.589 4.085 ( -1.866 11.770 -0.693) 11.937 4.170 ( 3.048 12.899 0.419) 13.261 4.256 ( -1.997 6.329 -5.840) 8.840 4.283 ( 3.864 13.252 -0.417) 13.810 4.379 ( 0.624 22.157 0.083) 22.166 4.513 ( 3.731 21.730 6.265) 22.921 4.612 ( -4.727 6.962 1.539) 8.555 4.753 ( -2.007 7.092 3.121) 8.004 4.798 ( 0.020 14.576 -3.524) 14.996 4.862 ( -1.414 9.123 -3.877) 10.013 4.923 ( -2.557 22.781 -1.874) 23.000 4.989 ( 1.252 12.522 -3.875) 13.167 5.077 ( 5.893 6.657 -5.072) 10.235 5.173 ( 4.365 12.017 -2.862) 13.102 5.347 ( -4.672 11.973 1.904) 12.993 5.549 ( -3.598 13.767 -2.065) 14.378 5.670 ( 0.407 6.504 6.414) 9.143 5.846 ( 1.661 -0.175 -1.765) 2.430 5.892 ( 5.649 -0.135 1.051) 5.747 5.967 ( 3.050 7.884 -0.451) 8.465 6.197 ( -2.666 -1.581 3.026) 4.331 6.321 ( -2.278 -1.634 -1.673) 3.265 7.839 ( 4.609 -0.588 2.120) 5.107 7.887 ( 0.046 0.334 5.612) 5.622 7.997 ( 4.438 -0.561 -4.472) 6.325 8.136 ( 1.132 -0.307 -1.254) 1.717 8.377 ( -0.623 1.313 1.455) 2.056 8.525 ( 7.335 1.644 -2.876) 8.048 8.832 ( -5.228 0.879 -0.948) 5.386 8.836 ( -1.419 1.316 -1.090) 2.221 9.457 ( 2.318 -2.246 4.483) 5.524 9.622 ( 6.153 2.662 4.944) 8.330 9.643 ( 2.107 2.588 -0.699) 3.409 9.768 ( 2.121 0.257 1.331) 2.517 9.955 ( -1.692 -8.347 -5.904) 10.363 10.024 ( -0.322 3.610 -0.143) 3.627 10.077 ( 2.695 5.356 -0.824) 6.053 10.154 ( 9.780 -3.286 -0.928) 10.359 10.447 ( 0.443 10.679 -5.171) 11.874 10.594 ( 0.067 11.281 -4.711) 12.225 10.774 ( -6.617 3.953 3.416) 8.431 10.967 ( -10.719 2.626 -2.412) 11.296 11.160 ( -6.175 3.200 11.080) 13.082 11.355 ( -3.952 4.971 0.791) 6.400 11.570 ( -3.143 7.231 1.030) 7.951 11.606 ( -2.012 2.000 -0.203) 2.844 11.987 ( -2.835 1.806 2.009) 3.916 12.126 ( 5.162 -6.738 1.088) 8.558 12.164 ( 3.396 5.940 -6.756) 9.616 12.450 ( -0.949 -10.837 -10.138) 14.870 12.634 ( 1.892 5.693 9.273) 11.044 12.703 ( 5.471 -4.752 5.871) 9.326 12.902 ( -1.102 -16.701 6.493) 17.953 13.006 ( -8.945 -2.971 0.838) 9.463 13.250 ( -3.373 -12.775 -3.352) 13.631 13.288 ( -1.252 -9.362 -2.467) 9.763 13.400 ( -0.096 -4.758 -4.617) 6.631 13.458 ( -1.177 -0.286 -4.209) 4.380 15.860 ( 3.549 -3.387 -1.289) 5.073 15.983 ( 0.627 -1.363 -6.674) 6.840 16.159 ( 2.687 -1.678 6.230) 6.989 16.339 ( -0.465 -2.025 0.971) 2.293 16.709 ( -1.747 -13.626 2.598) 13.981 16.743 ( -1.059 -16.213 2.265) 16.405 16.882 ( 2.240 -17.615 -0.651) 17.768 16.944 ( -0.769 -16.676 -1.877) 16.799 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 6.950 12.535 2.412) 14.534 2.135 ( 3.665 10.966 -0.930) 11.599 2.267 ( -2.703 10.248 0.022) 10.598 2.319 ( -9.460 7.246 0.049) 11.917 2.548 ( 4.484 7.661 -1.035) 8.937 2.629 ( -1.727 6.271 -3.105) 7.208 2.740 ( 5.960 6.123 -6.336) 10.638 2.817 ( 3.143 8.305 -3.922) 9.707 2.909 ( -1.342 6.368 0.859) 6.564 2.964 ( -3.513 4.770 2.433) 6.405 3.244 ( 4.484 0.242 1.014) 4.604 3.335 ( -0.697 -0.619 1.037) 1.395 3.415 ( -1.602 3.750 0.906) 4.177 3.539 ( -7.937 0.918 -1.719) 8.173 3.647 ( 0.194 5.935 2.776) 6.555 3.716 ( -4.192 5.373 6.017) 9.091 3.919 ( 4.726 10.317 -0.559) 11.362 4.035 ( -5.032 8.981 -6.274) 12.056 4.070 ( 3.654 17.435 1.904) 17.915 4.137 ( -3.098 17.865 0.821) 18.150 4.224 ( 1.749 11.811 3.275) 12.381 4.314 ( -5.047 15.360 3.206) 16.483 4.461 ( 8.217 10.330 -0.838) 13.226 4.560 ( -0.266 17.742 0.517) 17.751 4.629 ( 5.144 10.766 2.485) 12.188 4.694 ( -2.279 9.561 4.240) 10.705 4.764 ( -2.482 9.219 2.257) 9.810 4.814 ( -6.899 22.312 2.439) 23.481 4.912 ( 4.774 12.537 -4.178) 14.051 4.988 ( -1.970 9.700 -2.238) 10.147 5.166 ( 2.458 10.817 -8.635) 14.057 5.196 ( -0.900 14.046 -7.510) 15.954 5.366 ( 4.472 16.980 1.037) 17.590 5.458 ( -4.528 16.864 -2.334) 17.616 5.707 ( 3.333 5.271 5.202) 8.121 5.793 ( -4.536 2.417 0.911) 5.220 6.038 ( 5.207 -1.833 0.423) 5.536 6.063 ( 5.559 -0.382 -0.425) 5.588 6.145 ( -1.242 1.717 2.739) 3.463 6.238 ( -5.981 -2.644 -1.052) 6.623 7.895 ( 0.717 0.498 3.766) 3.866 7.904 ( 0.697 -0.792 2.703) 2.902 8.087 ( 5.918 -0.015 -0.518) 5.940 8.187 ( -0.940 -2.017 -2.719) 3.513 8.394 ( 6.036 1.005 2.433) 6.585 8.591 ( -9.007 0.619 -4.058) 9.898 8.729 ( 4.709 1.992 -0.223) 5.118 8.822 ( -2.531 3.466 -3.479) 5.524 9.563 ( 6.917 -2.154 3.351) 7.982 9.667 ( -2.208 -1.004 2.270) 3.322 9.721 ( 6.077 3.354 -2.324) 7.319 9.827 ( -1.539 3.033 0.056) 3.401 9.925 ( 0.929 -4.905 0.101) 4.993 9.989 ( -3.484 1.555 0.382) 3.835 10.194 ( 11.461 4.378 3.520) 12.763 10.343 ( 2.792 6.254 4.414) 8.148 10.477 ( 3.806 2.980 -7.592) 9.000 10.587 ( -0.921 7.151 -5.386) 9.000 10.629 ( -6.032 -1.082 -0.568) 6.155 10.737 ( -10.175 1.137 -3.006) 10.671 11.043 ( -1.640 2.781 8.071) 8.693 11.159 ( -11.493 1.968 1.970) 11.825 11.586 ( 1.412 6.205 0.263) 6.369 11.594 ( 0.585 4.008 0.132) 4.053 12.012 ( 6.036 4.204 2.402) 7.738 12.153 ( -4.139 3.010 -1.478) 5.327 12.249 ( 4.801 2.891 -5.496) 7.849 12.359 ( -6.927 -0.503 -6.839) 9.748 12.670 ( 1.929 3.840 9.124) 10.085 12.716 ( -2.656 1.427 7.546) 8.126 12.941 ( 3.771 -16.617 3.379) 17.371 12.950 ( 1.615 -13.279 2.069) 13.535 13.174 ( -2.284 -12.250 -3.342) 12.902 13.218 ( -4.877 -10.581 -3.072) 12.050 13.405 ( 0.741 -4.251 -4.337) 6.118 13.429 ( -1.516 -2.700 -4.252) 5.260 15.937 ( 3.495 -3.289 -2.976) 5.646 15.983 ( -1.019 -2.798 -4.919) 5.750 16.232 ( 4.304 -1.991 5.327) 7.132 16.309 ( -2.810 -2.285 3.522) 5.052 16.687 ( -0.018 -14.478 1.513) 14.557 16.710 ( -1.931 -15.481 1.270) 15.653 16.920 ( 1.304 -16.155 -1.059) 16.242 16.934 ( -0.313 -15.817 -1.353) 15.877 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 11.867 0.758) 11.892 2.275 ( 0.000 9.787 -3.984) 10.566 2.477 ( 0.000 5.511 1.961) 5.849 2.510 ( 0.000 0.709 0.207) 0.738 2.557 ( 0.000 6.521 4.579) 7.969 2.717 ( 0.000 1.248 -5.315) 5.460 2.803 ( 0.000 11.608 -2.531) 11.881 2.861 ( 0.000 3.515 -6.424) 7.323 3.069 ( 0.000 9.156 -3.838) 9.928 3.167 ( 0.000 2.743 5.154) 5.838 3.253 ( 0.000 2.153 6.102) 6.471 3.273 ( 0.000 5.785 -4.362) 7.246 3.657 ( 0.000 -3.094 10.729) 11.166 3.721 ( 0.000 0.788 1.135) 1.382 3.829 ( 0.000 -0.613 -1.686) 1.794 3.830 ( 0.000 1.039 2.580) 2.781 3.979 ( 0.000 -0.719 0.789) 1.067 4.034 ( 0.000 -5.846 -2.930) 6.540 4.123 ( 0.000 -2.014 1.434) 2.472 4.159 ( 0.000 -2.497 -1.616) 2.974 4.446 ( 0.000 8.631 -0.459) 8.643 4.549 ( 0.000 2.604 -1.351) 2.933 4.621 ( 0.000 14.037 4.182) 14.647 4.853 ( 0.000 1.702 -4.212) 4.543 4.865 ( 0.000 9.661 -3.770) 10.371 4.901 ( 0.000 -2.235 -2.158) 3.107 4.951 ( 0.000 10.338 2.986) 10.760 5.051 ( 0.000 21.271 0.554) 21.278 5.228 ( 0.000 11.846 3.041) 12.230 5.274 ( 0.000 18.415 -0.501) 18.422 5.356 ( 0.000 17.044 2.434) 17.217 5.485 ( 0.000 18.583 -5.037) 19.253 5.565 ( 0.000 8.132 -0.716) 8.163 5.692 ( 0.000 7.189 -1.673) 7.381 5.936 ( 0.000 15.446 -1.582) 15.527 5.959 ( 0.000 11.669 -4.780) 12.610 6.002 ( 0.000 15.156 3.587) 15.575 6.159 ( 0.000 7.965 0.266) 7.969 6.207 ( 0.000 4.946 5.405) 7.326 6.358 ( 0.000 1.455 -0.164) 1.464 7.835 ( 0.000 4.330 1.568) 4.605 7.917 ( 0.000 3.411 5.606) 6.562 7.977 ( 0.000 3.896 -4.901) 6.261 8.146 ( 0.000 1.917 -0.232) 1.931 8.418 ( 0.000 1.510 0.080) 1.513 8.484 ( 0.000 2.687 -1.026) 2.877 8.813 ( 0.000 -2.483 1.097) 2.714 8.852 ( 0.000 -3.963 -0.569) 4.003 9.427 ( 0.000 1.230 4.919) 5.070 9.565 ( 0.000 1.598 6.400) 6.597 9.685 ( 0.000 -6.190 0.373) 6.201 9.724 ( 0.000 1.616 -5.567) 5.797 9.812 ( 0.000 -4.436 -5.470) 7.042 9.876 ( 0.000 -7.420 -3.076) 8.032 10.096 ( 0.000 3.861 1.117) 4.020 10.209 ( 0.000 9.847 -4.084) 10.660 10.588 ( 0.000 1.357 -2.362) 2.724 10.830 ( 0.000 11.573 -6.655) 13.350 10.917 ( 0.000 -1.002 5.128) 5.225 11.154 ( 0.000 -0.428 -4.598) 4.618 11.319 ( 0.000 6.389 15.687) 16.938 11.433 ( 0.000 -1.184 4.791) 4.936 11.559 ( 0.000 -5.922 4.595) 7.496 11.787 ( 0.000 6.738 -1.501) 6.903 11.850 ( 0.000 -9.265 -3.233) 9.813 11.913 ( 0.000 -19.692 -4.532) 20.207 12.221 ( 0.000 8.979 -0.951) 9.030 12.245 ( 0.000 -1.766 -3.313) 3.754 12.524 ( 0.000 -16.686 7.761) 18.403 12.528 ( 0.000 -4.415 5.887) 7.358 12.863 ( 0.000 10.677 1.520) 10.784 12.911 ( 0.000 -17.649 -4.042) 18.106 13.157 ( 0.000 -1.472 -1.183) 1.889 13.173 ( 0.000 -4.700 -6.709) 8.191 13.342 ( 0.000 -0.740 1.981) 2.114 13.515 ( 0.000 1.605 -5.283) 5.521 15.767 ( 0.000 -1.510 -0.350) 1.550 15.965 ( 0.000 -0.463 -9.578) 9.589 16.097 ( 0.000 -1.980 6.902) 7.180 16.316 ( 0.000 -1.514 0.556) 1.613 16.456 ( 0.000 -14.790 4.380) 15.425 16.487 ( 0.000 -11.740 0.851) 11.771 16.551 ( 0.000 -10.284 0.822) 10.317 16.700 ( 0.000 -8.626 -2.272) 8.920 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 3.612 11.356 0.115) 11.917 2.285 ( 1.186 9.539 -3.794) 10.334 2.476 ( -0.406 6.460 1.614) 6.671 2.522 ( -1.134 1.039 -0.873) 1.769 2.555 ( 0.469 4.534 4.832) 6.643 2.710 ( 0.901 2.077 -2.958) 3.725 2.803 ( 0.200 8.033 -3.385) 8.719 2.896 ( 3.162 5.357 -6.558) 9.039 3.062 ( -0.534 7.918 -0.088) 7.936 3.154 ( 1.245 5.475 2.574) 6.177 3.238 ( -3.266 4.597 -2.388) 6.124 3.319 ( 3.065 3.319 3.202) 5.537 3.552 ( -6.034 0.274 7.672) 9.764 3.702 ( -5.810 0.215 -6.236) 8.526 3.738 ( -1.800 -2.118 5.486) 6.150 3.794 ( -6.994 -1.883 2.984) 7.833 3.988 ( 0.694 -1.308 2.377) 2.801 4.082 ( 1.812 -2.563 3.678) 4.835 4.155 ( 4.363 -0.465 -2.935) 5.279 4.237 ( 7.308 -2.732 -3.714) 8.641 4.452 ( 0.403 8.120 -0.560) 8.149 4.508 ( -3.529 5.058 0.272) 6.173 4.633 ( 1.187 10.692 2.790) 11.113 4.783 ( -5.856 12.752 -2.258) 14.213 4.841 ( -1.896 1.962 -0.552) 2.784 4.927 ( -0.581 6.271 -1.187) 6.409 4.971 ( 2.374 2.218 -0.830) 3.353 5.058 ( 1.354 16.240 0.125) 16.297 5.218 ( -0.665 14.699 1.536) 14.794 5.281 ( 0.956 14.281 0.978) 14.346 5.336 ( -0.828 17.840 0.927) 17.884 5.492 ( 0.308 16.744 -6.176) 17.850 5.644 ( 5.781 13.548 -0.559) 14.740 5.738 ( 4.268 5.923 -0.962) 7.363 5.915 ( -1.690 18.026 -3.936) 18.528 5.971 ( 0.469 10.923 -2.853) 11.299 6.005 ( 0.504 13.172 5.180) 14.163 6.166 ( 0.961 7.977 0.064) 8.035 6.189 ( -1.860 4.654 5.076) 7.133 6.330 ( -2.636 2.060 0.078) 3.346 7.866 ( 2.661 3.233 1.955) 4.621 7.913 ( -0.040 2.364 4.117) 4.748 8.033 ( 4.453 3.859 -3.447) 6.827 8.158 ( 1.351 2.567 -1.447) 3.242 8.415 ( -0.131 2.801 2.511) 3.763 8.552 ( 6.362 1.302 -1.618) 6.692 8.813 ( -4.111 -1.445 -0.568) 4.394 8.841 ( 1.871 -1.375 -1.008) 2.532 9.435 ( 1.632 0.870 5.695) 5.988 9.623 ( 3.701 -0.726 5.816) 6.932 9.698 ( 3.138 -5.897 -0.055) 6.680 9.716 ( -0.541 2.546 -4.913) 5.560 9.806 ( -0.214 -5.092 -4.571) 6.846 9.936 ( 4.268 -9.141 -2.094) 10.304 10.146 ( 4.467 5.514 1.297) 7.214 10.274 ( 6.964 8.248 -5.000) 11.896 10.533 ( -5.004 -1.400 -0.741) 5.249 10.742 ( -10.432 -0.999 0.347) 10.485 10.852 ( -3.126 7.780 -3.003) 8.907 11.000 ( -11.662 0.916 -3.750) 12.284 11.259 ( -5.787 6.657 13.354) 16.004 11.407 ( -4.125 1.833 3.197) 5.531 11.612 ( 1.128 -0.906 1.275) 1.928 11.716 ( -4.114 4.608 -1.424) 6.339 11.868 ( 4.532 -15.432 -0.058) 16.084 12.001 ( 6.719 -10.552 0.191) 12.511 12.181 ( -0.103 -4.725 -3.201) 5.708 12.326 ( 2.615 5.428 -4.135) 7.308 12.537 ( 3.019 -15.729 8.012) 17.909 12.623 ( 6.897 -1.994 5.111) 8.812 12.852 ( -1.848 8.626 2.263) 9.108 12.875 ( -2.566 -12.945 -4.078) 13.813 13.059 ( -7.581 -0.693 0.470) 7.627 13.169 ( -2.803 -3.264 -4.663) 6.345 13.311 ( -1.114 -4.301 -0.543) 4.476 13.485 ( -3.098 0.682 -5.864) 6.667 15.808 ( 3.588 -1.612 -1.506) 4.212 15.955 ( -0.859 -1.459 -7.466) 7.656 16.123 ( 2.372 -2.023 5.227) 6.087 16.288 ( -2.090 -3.823 0.705) 4.413 16.444 ( -0.311 -14.022 3.316) 14.412 16.501 ( -0.968 -6.898 5.459) 8.850 16.584 ( 3.682 -12.582 -2.442) 13.335 16.697 ( -0.226 -8.471 -2.178) 8.749 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 3.713 9.778 -0.291) 10.463 2.327 ( 2.257 8.748 -3.044) 9.534 2.428 ( -3.248 5.832 0.738) 6.717 2.449 ( -4.100 6.758 -1.843) 8.117 2.620 ( 5.207 1.360 3.220) 6.272 2.714 ( -2.877 1.708 0.924) 3.471 2.848 ( 5.381 4.576 -3.758) 8.001 2.949 ( -1.402 3.130 -6.430) 7.287 3.063 ( 2.405 9.752 1.197) 10.115 3.142 ( -4.021 10.854 -2.345) 11.810 3.241 ( 5.334 1.252 2.736) 6.124 3.331 ( -1.867 2.236 2.196) 3.648 3.484 ( -0.740 3.664 1.322) 3.965 3.558 ( -7.480 1.363 -1.293) 7.712 3.670 ( -1.092 -1.288 1.843) 2.499 3.706 ( -3.277 -4.305 6.908) 8.775 4.009 ( 2.129 -0.667 2.430) 3.298 4.062 ( -2.526 -3.335 0.891) 4.278 4.289 ( 6.951 4.467 -2.396) 8.603 4.377 ( 2.785 0.421 -3.478) 4.475 4.434 ( -1.252 3.925 2.162) 4.653 4.465 ( 0.303 3.721 -0.935) 3.849 4.643 ( -0.775 7.147 -1.527) 7.349 4.666 ( -4.374 13.349 -1.999) 14.189 4.816 ( 0.382 6.810 4.548) 8.198 4.863 ( -3.690 9.884 4.241) 11.371 5.042 ( 3.252 1.095 -3.302) 4.762 5.079 ( -0.193 6.549 -1.783) 6.790 5.224 ( 1.232 18.653 1.606) 18.762 5.260 ( -2.118 17.428 2.199) 17.694 5.385 ( 4.472 14.503 -3.889) 15.667 5.467 ( -3.020 13.986 -5.987) 15.510 5.753 ( 4.819 17.014 -0.423) 17.688 5.814 ( 0.495 10.511 0.052) 10.522 5.892 ( 1.214 16.768 -4.251) 17.341 5.948 ( -2.616 13.501 -3.395) 14.165 6.047 ( 3.672 6.879 6.524) 10.167 6.131 ( -3.939 4.167 4.894) 7.539 6.203 ( 2.636 6.874 0.066) 7.363 6.265 ( -3.416 4.483 0.416) 5.652 7.910 ( 1.166 1.600 2.562) 3.238 7.916 ( 0.204 1.583 3.109) 3.495 8.120 ( 4.203 2.932 -1.454) 5.327 8.182 ( -0.789 1.367 -2.678) 3.108 8.459 ( 6.146 5.892 2.938) 9.007 8.624 ( -6.609 3.071 -2.809) 7.810 8.748 ( 4.897 0.584 0.693) 4.981 8.850 ( -2.497 -0.184 -2.657) 3.650 9.514 ( 5.688 -1.855 4.092) 7.249 9.616 ( -3.497 -2.710 2.064) 4.882 9.741 ( 4.047 -1.032 -3.506) 5.452 9.809 ( -0.591 -4.014 -4.391) 5.978 9.833 ( 6.719 -4.866 3.816) 9.132 9.949 ( -3.637 -5.389 1.546) 6.683 10.278 ( 9.184 3.844 0.808) 9.988 10.426 ( -5.077 -5.048 -0.804) 7.204 10.452 ( 5.756 1.489 -0.979) 6.026 10.578 ( -2.398 -3.714 -1.685) 4.731 10.679 ( -7.877 5.636 -2.113) 9.913 10.826 ( -8.392 5.977 -8.455) 13.327 11.164 ( -1.660 8.489 8.667) 12.245 11.237 ( -8.773 6.403 5.111) 12.004 11.638 ( 1.724 -0.439 -1.586) 2.384 11.668 ( -1.486 1.335 -2.162) 2.944 11.998 ( 7.438 -8.983 3.660) 12.224 12.121 ( -1.274 -6.825 4.289) 8.161 12.194 ( 5.324 -10.907 -3.925) 12.755 12.314 ( -3.657 -3.302 -2.695) 5.616 12.629 ( 5.217 -6.492 4.267) 9.358 12.746 ( -6.340 1.591 1.460) 6.697 12.764 ( 6.322 -0.001 3.412) 7.184 12.870 ( -1.807 4.476 2.671) 5.517 12.936 ( -0.142 -7.802 -0.660) 7.831 13.054 ( -7.624 -4.275 -2.366) 9.055 13.333 ( 2.815 -4.434 -4.578) 6.967 13.406 ( -4.200 -1.689 -5.954) 7.480 15.882 ( 3.279 -2.057 -3.732) 5.377 15.931 ( -1.665 -2.285 -5.507) 6.190 16.183 ( 3.377 -3.529 3.953) 6.284 16.244 ( -2.506 -5.044 2.214) 6.052 16.442 ( 0.383 -10.619 3.582) 11.214 16.466 ( -1.846 -7.708 4.375) 9.053 16.656 ( 2.795 -10.603 -2.091) 11.162 16.689 ( -0.752 -9.052 -1.966) 9.294 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.000 8.973 -0.578) 8.991 2.404 ( 0.000 3.918 -0.773) 3.994 2.526 ( 0.000 1.336 1.885) 2.310 2.606 ( 0.000 7.636 -0.897) 7.689 2.657 ( 0.000 3.730 -1.128) 3.897 2.730 ( 0.000 0.283 -5.695) 5.703 2.882 ( 0.000 -1.800 -0.356) 1.835 2.944 ( 0.000 1.522 -1.978) 2.496 3.206 ( 0.000 4.550 10.122) 11.097 3.236 ( 0.000 7.531 -1.387) 7.658 3.363 ( 0.000 9.007 3.503) 9.664 3.418 ( 0.000 6.409 -5.116) 8.201 3.580 ( 0.000 -4.513 9.251) 10.293 3.728 ( 0.000 0.302 -2.639) 2.657 3.787 ( 0.000 -4.172 -0.319) 4.184 3.793 ( 0.000 -2.504 -4.246) 4.930 3.915 ( 0.000 -5.183 -0.835) 5.250 3.919 ( 0.000 -5.659 -1.279) 5.802 4.058 ( 0.000 -3.791 2.751) 4.684 4.063 ( 0.000 -5.408 1.763) 5.688 4.534 ( 0.000 2.135 -2.357) 3.180 4.543 ( 0.000 -0.826 -1.012) 1.306 4.778 ( 0.000 -6.950 0.616) 6.977 4.866 ( 0.000 4.677 -1.285) 4.850 4.907 ( 0.000 1.384 -3.259) 3.541 4.945 ( 0.000 6.277 -0.942) 6.347 5.182 ( 0.000 10.263 4.282) 11.120 5.284 ( 0.000 7.596 3.028) 8.177 5.462 ( 0.000 4.280 2.535) 4.974 5.516 ( 0.000 4.664 3.504) 5.833 5.628 ( 0.000 16.166 -1.714) 16.257 5.736 ( 0.000 11.461 -8.708) 14.394 5.852 ( 0.000 16.480 -0.551) 16.489 5.920 ( 0.000 12.637 -3.031) 12.995 6.155 ( 0.000 1.134 2.901) 3.115 6.179 ( 0.000 5.844 5.520) 8.039 6.232 ( 0.000 10.541 -0.446) 10.550 6.263 ( 0.000 11.012 -4.481) 11.889 6.432 ( 0.000 10.924 0.384) 10.931 6.433 ( 0.000 7.361 1.144) 7.449 7.938 ( 0.000 5.927 1.376) 6.085 8.021 ( 0.000 6.692 3.958) 7.775 8.059 ( 0.000 3.703 -4.094) 5.521 8.211 ( 0.000 3.863 -1.815) 4.268 8.443 ( 0.000 1.497 2.223) 2.680 8.537 ( 0.000 2.525 -0.831) 2.658 8.751 ( 0.000 -3.692 0.148) 3.695 8.766 ( 0.000 -4.443 -0.223) 4.449 9.461 ( 0.000 0.113 0.670) 0.679 9.567 ( 0.000 -2.765 1.343) 3.074 9.611 ( 0.000 -7.759 -4.453) 8.946 9.655 ( 0.000 7.583 8.723) 11.559 9.696 ( 0.000 -5.985 -2.272) 6.402 9.988 ( 0.000 12.710 -5.212) 13.737 10.196 ( 0.000 6.856 2.373) 7.255 10.363 ( 0.000 2.303 -6.480) 6.877 10.539 ( 0.000 -2.143 5.997) 6.369 10.819 ( 0.000 -7.959 6.051) 9.998 11.011 ( 0.000 4.408 -12.832) 13.568 11.064 ( 0.000 -8.950 -5.088) 10.295 11.302 ( 0.000 -11.523 6.112) 13.044 11.426 ( 0.000 -3.698 3.195) 4.887 11.465 ( 0.000 5.885 11.197) 12.649 11.588 ( 0.000 -8.309 -2.120) 8.575 11.691 ( 0.000 -7.987 -3.743) 8.821 11.902 ( 0.000 4.213 -2.525) 4.911 12.047 ( 0.000 -16.143 11.943) 20.081 12.359 ( 0.000 -1.681 -2.076) 2.672 12.403 ( 0.000 2.010 -1.968) 2.813 12.422 ( 0.000 -3.262 -2.842) 4.326 12.659 ( 0.000 -3.980 4.316) 5.871 12.995 ( 0.000 -3.047 -8.363) 8.901 13.107 ( 0.000 3.579 1.030) 3.724 13.172 ( 0.000 2.239 -0.698) 2.345 13.359 ( 0.000 1.602 2.106) 2.646 13.510 ( 0.000 -2.082 -4.118) 4.614 15.766 ( 0.000 1.421 -1.057) 1.771 15.951 ( 0.000 -1.228 -8.798) 8.884 16.063 ( 0.000 -1.313 5.965) 6.108 16.198 ( 0.000 -10.477 1.230) 10.549 16.265 ( 0.000 -3.699 -1.905) 4.160 16.294 ( 0.000 -7.499 -1.886) 7.732 16.459 ( 0.000 -0.305 6.667) 6.674 16.591 ( 0.000 -3.493 0.068) 3.493 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 2.077 6.639 -0.933) 7.018 2.424 ( 2.366 6.532 -1.179) 7.047 2.531 ( -0.227 0.534 1.038) 1.190 2.600 ( -0.352 6.765 -0.568) 6.798 2.644 ( -1.728 3.716 -0.365) 4.114 2.733 ( 1.007 0.638 -3.074) 3.297 2.884 ( -1.067 -0.727 -1.537) 2.008 2.932 ( 0.304 -0.855 -4.276) 4.371 3.188 ( -0.059 4.455 9.118) 10.148 3.252 ( 0.422 7.435 -0.266) 7.452 3.386 ( 0.045 8.104 2.446) 8.465 3.439 ( 2.882 7.066 -3.462) 8.380 3.556 ( -1.820 -0.713 6.242) 6.541 3.655 ( -4.895 -3.760 4.004) 7.357 3.707 ( -2.644 0.426 -3.381) 4.314 3.761 ( -6.559 -0.480 -0.186) 6.579 3.919 ( 1.301 -4.723 -0.086) 4.899 3.988 ( 0.651 -5.937 1.024) 6.060 4.071 ( 5.514 -7.025 -2.242) 9.208 4.160 ( 6.795 -5.065 -1.254) 8.568 4.505 ( -1.807 0.910 -0.934) 2.228 4.555 ( -0.259 1.237 -0.527) 1.369 4.759 ( -1.382 -3.144 -2.671) 4.351 4.871 ( -1.128 -4.368 -4.846) 6.621 4.926 ( 2.885 7.646 1.831) 8.375 4.956 ( 1.390 6.342 -0.632) 6.523 5.158 ( -2.489 9.771 3.965) 10.834 5.227 ( -5.100 7.500 3.085) 9.580 5.470 ( 0.253 5.563 3.230) 6.438 5.519 ( 2.677 5.045 1.893) 6.016 5.612 ( -1.765 14.208 -1.398) 14.385 5.742 ( -0.604 11.395 -7.058) 13.418 5.903 ( 4.438 13.797 -1.822) 14.607 5.950 ( 2.536 11.237 -1.621) 11.633 6.151 ( -0.388 2.789 2.418) 3.712 6.180 ( 0.005 4.939 4.573) 6.731 6.235 ( 0.233 11.950 -1.052) 11.999 6.282 ( 1.694 11.692 -2.835) 12.149 6.409 ( -1.611 10.008 1.060) 10.192 6.432 ( -0.589 8.963 0.405) 8.992 7.950 ( 0.861 4.971 1.375) 5.229 7.986 ( -1.661 5.004 2.172) 5.702 8.110 ( 3.245 2.989 -1.867) 4.791 8.217 ( 0.211 2.239 -2.604) 3.441 8.492 ( 4.617 5.301 2.998) 7.642 8.588 ( 5.124 2.704 -0.400) 5.808 8.785 ( 1.560 -1.394 -0.546) 2.163 8.801 ( 3.693 -2.277 -0.745) 4.402 9.487 ( 1.453 1.822 3.516) 4.219 9.580 ( 0.896 -3.662 0.630) 3.822 9.601 ( 0.237 -2.238 2.121) 3.092 9.669 ( 1.890 -2.528 -0.518) 3.199 9.748 ( 4.529 -7.079 -0.929) 8.455 9.878 ( -7.719 7.303 -3.381) 11.152 10.285 ( 5.342 8.756 0.387) 10.264 10.328 ( -4.925 -7.399 -3.103) 9.415 10.510 ( -1.297 3.602 2.778) 4.731 10.633 ( -11.270 -6.816 2.517) 13.409 10.975 ( -6.855 2.012 -4.574) 8.483 11.049 ( -0.719 4.611 -9.890) 10.935 11.341 ( 0.934 -4.705 6.433) 8.024 11.448 ( 1.132 4.080 7.625) 8.722 11.503 ( -1.561 -14.120 -1.160) 14.254 11.572 ( 5.474 -3.025 2.847) 6.872 11.703 ( -3.296 -7.115 -1.989) 8.090 11.838 ( 0.882 -2.220 -2.079) 3.167 11.998 ( -3.795 -13.978 9.680) 17.421 12.294 ( -6.791 -10.785 -1.903) 12.886 12.459 ( 7.656 3.964 0.671) 8.647 12.576 ( 9.971 0.083 -2.894) 10.383 12.714 ( 5.293 -0.480 3.301) 6.256 12.993 ( -2.045 2.053 -4.888) 5.682 13.093 ( -1.392 1.523 -1.239) 2.407 13.125 ( -3.602 1.164 -0.825) 3.874 13.263 ( -7.562 -0.288 2.761) 8.055 13.465 ( -4.504 -2.674 -5.102) 7.312 15.801 ( 2.942 0.803 -2.150) 3.731 15.928 ( -1.561 -1.358 -6.270) 6.602 16.077 ( 0.435 -2.819 3.165) 4.261 16.168 ( -3.223 -8.554 -0.673) 9.166 16.248 ( 2.553 -4.190 1.723) 5.200 16.392 ( 5.358 -7.213 -2.606) 9.356 16.448 ( -0.842 0.356 6.988) 7.047 16.588 ( -0.495 -3.639 -0.017) 3.672 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 2.085 5.994 -1.447) 6.509 2.481 ( 1.545 7.196 -2.399) 7.741 2.513 ( 0.063 3.257 0.580) 3.309 2.571 ( -3.443 5.308 -2.351) 6.750 2.640 ( 3.169 1.304 2.683) 4.352 2.722 ( -3.481 -0.153 1.084) 3.649 2.891 ( 2.938 -0.740 -4.652) 5.552 2.941 ( -0.790 -3.386 -5.689) 6.668 3.207 ( 1.207 3.397 5.765) 6.800 3.233 ( -1.712 5.126 3.019) 6.191 3.404 ( 2.921 9.510 1.740) 10.100 3.471 ( -1.038 7.936 -2.931) 8.523 3.544 ( 0.788 1.886 2.671) 3.364 3.594 ( -4.347 -1.326 6.244) 7.723 3.616 ( -0.597 2.693 0.918) 2.907 3.668 ( -3.663 2.747 1.185) 4.729 3.940 ( 1.269 -5.560 0.351) 5.714 3.966 ( -1.350 -5.695 2.928) 6.544 4.218 ( 6.513 -9.067 -7.182) 13.275 4.269 ( 2.389 -8.639 -5.168) 10.346 4.477 ( -0.142 2.732 1.126) 2.959 4.518 ( -3.104 2.056 2.390) 4.425 4.753 ( 1.509 -0.362 -6.471) 6.654 4.816 ( -3.901 -1.045 -6.788) 7.899 4.985 ( 3.415 8.847 2.985) 9.942 5.025 ( 3.969 4.150 1.807) 6.020 5.081 ( -4.226 8.564 4.658) 10.625 5.125 ( -4.485 4.147 3.527) 7.053 5.502 ( 2.824 8.121 1.442) 8.718 5.563 ( -2.869 12.216 -0.257) 12.551 5.603 ( 4.757 5.931 -0.382) 7.613 5.694 ( -3.917 8.978 -3.550) 10.419 5.987 ( 3.094 10.533 -2.239) 11.204 6.000 ( 1.755 9.516 -2.016) 9.884 6.142 ( -0.139 4.842 2.225) 5.331 6.161 ( -1.702 4.917 1.849) 5.522 6.261 ( 2.343 14.203 0.730) 14.414 6.301 ( -0.716 13.439 -0.743) 13.478 6.388 ( 0.258 9.695 0.483) 9.711 6.411 ( -1.379 9.289 -0.076) 9.391 7.961 ( 0.261 3.463 1.733) 3.881 7.967 ( -0.421 3.747 1.955) 4.247 8.169 ( 2.578 1.060 -1.490) 3.161 8.208 ( -1.207 0.126 -2.236) 2.544 8.616 ( 7.113 9.638 1.865) 12.123 8.704 ( 2.640 5.004 -1.673) 5.900 8.786 ( 0.728 3.872 1.397) 4.180 8.848 ( -0.898 0.928 -1.032) 1.653 9.518 ( 2.988 1.930 4.272) 5.559 9.578 ( -1.221 -1.619 2.110) 2.926 9.677 ( 4.949 -7.068 -1.646) 8.784 9.708 ( 2.332 -3.270 0.349) 4.032 9.748 ( -3.355 -2.482 -0.678) 4.228 9.801 ( -2.466 -8.943 2.595) 9.633 10.216 ( -2.023 -13.783 -2.908) 14.231 10.280 ( -6.838 -7.221 -1.998) 10.144 10.493 ( 5.187 5.626 1.337) 7.768 10.586 ( -0.350 5.759 -2.389) 6.245 10.848 ( -1.602 10.316 -2.005) 10.630 10.961 ( -8.140 7.974 -8.166) 14.018 11.324 ( 0.017 5.986 6.537) 8.863 11.377 ( -5.245 4.846 5.173) 8.818 11.537 ( 4.218 -8.725 -2.485) 10.004 11.609 ( -3.299 -6.586 -5.037) 8.924 11.756 ( 8.542 -11.272 5.020) 15.007 11.901 ( -5.359 -14.029 4.966) 15.818 11.954 ( 7.618 -10.635 2.590) 13.336 12.131 ( -9.093 -13.509 0.101) 16.284 12.636 ( 9.640 4.572 2.125) 10.878 12.764 ( 5.845 2.656 -3.259) 7.200 12.848 ( 5.540 4.471 1.688) 7.316 12.882 ( -3.559 1.322 2.079) 4.328 12.991 ( -7.156 6.238 0.016) 9.493 13.026 ( -8.280 0.140 0.125) 8.282 13.226 ( 4.610 -6.297 -3.753) 8.660 13.347 ( -6.591 -4.262 -5.847) 9.787 15.860 ( 2.612 -0.111 -3.895) 4.691 15.900 ( -1.423 -0.833 -4.881) 5.152 16.081 ( 0.526 -6.247 1.118) 6.368 16.109 ( -2.305 -7.808 -0.346) 8.149 16.326 ( 4.333 -1.395 4.224) 6.210 16.400 ( -2.850 -0.218 4.863) 5.640 16.502 ( 4.166 -5.568 -0.651) 6.984 16.564 ( -2.024 -4.482 -0.448) 4.939 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.000 1.883 0.538) 1.958 2.477 ( 0.000 0.366 -0.473) 0.598 2.614 ( 0.000 7.238 1.098) 7.321 2.688 ( 0.000 0.560 -4.382) 4.417 2.734 ( 0.000 0.399 -4.183) 4.202 2.767 ( 0.000 6.409 -1.261) 6.532 2.800 ( 0.000 -5.086 1.055) 5.194 2.894 ( 0.000 -5.177 -0.925) 5.259 3.327 ( 0.000 6.153 8.276) 10.313 3.365 ( 0.000 4.370 3.794) 5.788 3.488 ( 0.000 0.441 1.836) 1.888 3.490 ( 0.000 -2.494 6.400) 6.869 3.557 ( 0.000 8.456 0.681) 8.483 3.687 ( 0.000 -4.731 -4.803) 6.742 3.751 ( 0.000 -1.032 -5.647) 5.740 3.756 ( 0.000 1.646 -2.001) 2.591 3.800 ( 0.000 -5.567 -3.592) 6.625 3.819 ( 0.000 -4.333 -2.428) 4.967 3.988 ( 0.000 -1.886 3.021) 3.561 3.994 ( 0.000 -2.269 3.257) 3.969 4.549 ( 0.000 1.657 -0.550) 1.746 4.579 ( 0.000 1.123 -2.682) 2.908 4.675 ( 0.000 -1.241 0.486) 1.333 4.761 ( 0.000 -7.032 -4.008) 8.094 5.029 ( 0.000 3.903 0.407) 3.924 5.040 ( 0.000 2.595 -0.082) 2.596 5.332 ( 0.000 4.988 4.279) 6.572 5.372 ( 0.000 1.087 3.497) 3.663 5.513 ( 0.000 2.097 1.819) 2.776 5.541 ( 0.000 -0.512 1.440) 1.528 5.870 ( 0.000 7.699 -5.426) 9.419 5.908 ( 0.000 4.175 -6.776) 7.959 6.084 ( 0.000 4.080 -0.373) 4.097 6.093 ( 0.000 6.143 2.387) 6.590 6.153 ( 0.000 0.967 1.452) 1.745 6.202 ( 0.000 -1.255 2.341) 2.656 6.402 ( 0.000 5.127 0.079) 5.128 6.415 ( 0.000 3.797 0.060) 3.798 6.571 ( 0.000 4.588 -0.788) 4.655 6.580 ( 0.000 3.748 -0.804) 3.834 8.051 ( 0.000 5.004 0.153) 5.006 8.101 ( 0.000 0.184 -1.852) 1.862 8.149 ( 0.000 5.824 1.499) 6.014 8.234 ( 0.000 -2.290 -1.670) 2.835 8.505 ( 0.000 4.697 0.857) 4.774 8.567 ( 0.000 -0.239 -2.156) 2.169 8.679 ( 0.000 -2.677 1.469) 3.053 8.690 ( 0.000 -3.019 0.718) 3.103 9.441 ( 0.000 -0.198 -0.948) 0.968 9.484 ( 0.000 -4.654 -2.507) 5.286 9.562 ( 0.000 1.444 0.520) 1.535 9.608 ( 0.000 -3.273 -0.874) 3.388 9.884 ( 0.000 14.568 9.874) 17.599 10.178 ( 0.000 -13.179 5.322) 14.213 10.309 ( 0.000 17.223 -2.991) 17.481 10.367 ( 0.000 10.373 2.716) 10.723 10.568 ( 0.000 -6.456 0.893) 6.517 10.718 ( 0.000 -21.904 -6.044) 22.722 10.726 ( 0.000 6.384 0.487) 6.403 10.929 ( 0.000 -10.860 -5.642) 12.238 11.286 ( 0.000 7.074 -3.112) 7.728 11.378 ( 0.000 -0.579 -2.698) 2.760 11.483 ( 0.000 -4.450 0.487) 4.476 11.497 ( 0.000 -7.131 1.486) 7.284 11.638 ( 0.000 6.721 7.380) 9.982 11.792 ( 0.000 -9.402 11.911) 15.175 11.988 ( 0.000 5.607 -2.611) 6.185 12.149 ( 0.000 -10.934 -2.999) 11.337 12.445 ( 0.000 1.515 -1.056) 1.847 12.453 ( 0.000 0.746 -0.888) 1.159 12.717 ( 0.000 6.643 0.827) 6.694 12.861 ( 0.000 -7.740 -4.430) 8.918 13.205 ( 0.000 3.507 0.294) 3.520 13.218 ( 0.000 1.694 -0.069) 1.696 13.390 ( 0.000 1.872 0.325) 1.900 13.448 ( 0.000 -3.738 -1.968) 4.224 15.818 ( 0.000 3.738 -2.516) 4.506 15.901 ( 0.000 -4.087 -5.014) 6.469 16.047 ( 0.000 -0.285 2.710) 2.725 16.065 ( 0.000 -3.024 -0.418) 3.052 16.202 ( 0.000 -1.952 -2.125) 2.886 16.206 ( 0.000 -1.920 -1.152) 2.239 16.487 ( 0.000 2.374 5.208) 5.724 16.536 ( 0.000 -2.555 2.588) 3.636 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 1.995 2.034 0.874) 2.981 2.501 ( 2.143 -0.297 0.191) 2.172 2.605 ( -0.497 6.537 -0.734) 6.597 2.677 ( -1.416 -0.141 -4.080) 4.321 2.740 ( -1.737 5.954 -1.329) 6.343 2.748 ( 0.640 1.855 -2.209) 2.955 2.817 ( 1.068 -4.602 -0.949) 4.819 2.865 ( -2.296 -5.346 -2.091) 6.182 3.302 ( -1.429 6.543 7.963) 10.405 3.369 ( -0.381 2.978 5.632) 6.382 3.465 ( -1.774 -0.894 3.751) 4.244 3.474 ( -2.489 -3.757 6.651) 8.034 3.583 ( 2.575 6.313 -0.962) 6.886 3.644 ( -0.319 0.340 -3.636) 3.666 3.764 ( 1.626 3.968 -1.069) 4.419 3.778 ( -0.334 2.843 -2.824) 4.021 3.833 ( 1.915 -3.695 -0.905) 4.259 3.871 ( 3.573 -5.763 -5.405) 8.671 3.957 ( -1.057 -2.130 1.213) 2.670 4.032 ( 2.497 -7.217 -0.449) 7.650 4.547 ( 0.030 3.209 -0.713) 3.287 4.595 ( 0.753 2.109 -3.041) 3.776 4.660 ( -1.063 -3.123 -0.235) 3.307 4.744 ( -1.476 -7.270 -3.796) 8.333 5.050 ( 2.089 3.620 1.226) 4.356 5.056 ( 1.655 2.863 0.731) 3.387 5.305 ( -3.248 4.829 3.798) 6.949 5.332 ( -4.491 2.277 3.162) 5.946 5.532 ( 2.251 1.512 2.140) 3.454 5.545 ( 2.399 -0.055 1.724) 2.955 5.826 ( -3.764 6.950 -4.360) 9.027 5.882 ( -3.624 1.733 -5.640) 6.924 6.097 ( 2.467 5.428 0.478) 5.981 6.113 ( 1.768 4.806 2.350) 5.634 6.186 ( 1.748 1.613 -0.387) 2.410 6.210 ( 0.540 -0.285 1.209) 1.354 6.421 ( 1.922 5.766 0.346) 6.088 6.442 ( 2.336 3.754 -0.309) 4.433 6.561 ( -1.029 4.667 -0.638) 4.822 6.571 ( -0.895 3.726 -0.739) 3.902 8.051 ( -0.139 4.860 0.151) 4.865 8.087 ( -1.771 4.026 -0.668) 4.448 8.132 ( -0.229 0.113 0.636) 0.685 8.201 ( -2.387 -3.749 -1.400) 4.660 8.617 ( 9.341 6.575 1.012) 11.468 8.657 ( 7.651 3.518 -0.746) 8.454 8.749 ( 6.403 -2.775 0.245) 6.983 8.754 ( 5.806 -2.440 0.147) 6.300 9.452 ( 1.095 -1.098 -0.818) 1.753 9.496 ( 0.472 -5.023 -2.251) 5.525 9.585 ( 2.421 0.382 1.078) 2.677 9.623 ( 1.524 -3.417 0.473) 3.772 9.803 ( -6.730 12.032 7.964) 15.921 10.054 ( -10.308 -1.245 0.156) 10.384 10.103 ( -12.232 -0.771 3.961) 12.880 10.342 ( -14.757 -12.044 -0.017) 19.048 10.553 ( 8.572 13.728 -0.214) 16.186 10.729 ( 3.442 10.050 -4.998) 11.740 10.888 ( 6.912 -13.668 -3.068) 15.621 10.967 ( 2.710 -10.162 -5.232) 11.747 11.294 ( 0.806 6.434 -1.749) 6.717 11.363 ( -1.433 -1.110 -1.784) 2.543 11.488 ( 1.030 -4.882 0.974) 5.084 11.498 ( -0.298 -6.060 3.070) 6.800 11.644 ( 0.649 4.638 3.968) 6.138 11.769 ( -2.457 -7.338 11.862) 14.163 11.872 ( -7.673 4.789 -1.404) 9.153 12.046 ( -8.281 -11.990 -0.701) 14.589 12.538 ( 8.488 3.589 -0.146) 9.217 12.585 ( 9.321 -0.974 -1.813) 9.546 12.783 ( 6.238 6.174 0.079) 8.777 12.915 ( 4.869 -6.730 -4.910) 9.649 13.143 ( -5.761 2.988 1.743) 6.720 13.175 ( -4.595 0.554 0.749) 4.688 13.295 ( -8.198 3.844 -0.231) 9.057 13.388 ( -5.667 -4.854 -3.239) 8.134 15.837 ( 1.734 2.770 -2.984) 4.425 15.894 ( -0.193 -2.463 -4.443) 5.084 16.025 ( -2.258 -1.746 0.868) 2.983 16.038 ( -2.532 -3.603 -0.847) 4.485 16.233 ( 4.553 1.515 0.397) 4.815 16.287 ( 5.554 -3.922 -1.078) 6.884 16.480 ( -0.901 2.372 4.964) 5.575 16.530 ( -0.832 -2.650 2.390) 3.664 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 3.463 2.264 0.616) 4.183 2.548 ( 2.210 0.718 0.929) 2.503 2.597 ( -0.704 3.444 -1.045) 3.667 2.624 ( -3.608 0.293 -0.700) 3.687 2.712 ( 0.130 5.838 -2.558) 6.375 2.742 ( -1.856 3.188 -1.597) 4.020 2.829 ( 0.572 -4.926 -4.877) 6.955 2.840 ( -0.308 -6.242 -3.988) 7.413 3.294 ( 0.945 5.714 7.304) 9.322 3.336 ( -2.623 4.876 6.901) 8.847 3.423 ( -0.916 -6.073 6.086) 8.647 3.436 ( -1.691 -4.369 5.613) 7.311 3.631 ( 3.861 7.486 0.795) 8.460 3.719 ( 0.632 3.876 0.112) 3.929 3.730 ( 1.093 6.073 -1.025) 6.255 3.815 ( 0.843 10.494 -1.881) 10.695 3.847 ( -2.939 -2.588 -0.841) 4.005 3.850 ( -0.127 -2.184 -0.007) 2.187 4.017 ( 4.196 -10.837 -6.290) 13.215 4.063 ( -0.099 -11.784 -4.611) 12.654 4.554 ( 0.735 4.853 -1.109) 5.033 4.581 ( -1.752 4.921 -1.225) 5.365 4.664 ( 1.608 -6.191 -4.129) 7.614 4.707 ( -2.198 -7.277 -4.383) 8.775 5.111 ( 3.928 3.429 2.726) 5.884 5.113 ( 4.186 3.065 2.946) 5.966 5.209 ( -5.491 3.760 3.996) 7.763 5.218 ( -5.984 2.967 3.693) 7.632 5.610 ( 5.367 3.546 0.414) 6.446 5.643 ( 5.990 0.264 0.036) 5.996 5.731 ( -5.280 4.679 -1.553) 7.223 5.778 ( -6.143 0.082 -2.148) 6.508 6.151 ( 1.873 5.136 0.071) 5.468 6.154 ( 1.759 5.333 -0.163) 5.618 6.202 ( 0.195 1.426 0.517) 1.529 6.212 ( -0.506 0.563 -0.371) 0.843 6.471 ( 2.709 6.361 0.100) 6.915 6.492 ( 2.073 4.637 -0.904) 5.159 6.531 ( -1.649 4.403 -0.014) 4.702 6.545 ( -1.670 3.336 -0.654) 3.787 8.047 ( -0.046 5.068 0.499) 5.093 8.055 ( -0.979 5.207 0.597) 5.331 8.140 ( 0.749 -3.697 -0.457) 3.800 8.161 ( -1.464 -4.661 -0.850) 4.959 8.799 ( 7.168 7.901 0.456) 10.677 8.818 ( 6.525 5.731 -0.229) 8.688 8.863 ( 3.364 1.999 -0.156) 3.916 8.876 ( 3.518 0.219 -0.564) 3.570 9.495 ( 3.831 -2.523 1.596) 4.857 9.515 ( 2.972 -4.590 1.740) 5.739 9.610 ( -3.380 -3.107 4.489) 6.420 9.639 ( -3.800 -6.067 4.839) 8.641 9.697 ( 1.488 8.777 0.132) 8.903 9.828 ( -10.368 9.031 -1.576) 13.840 9.932 ( -1.423 -14.199 -0.760) 14.290 10.057 ( -11.881 -13.183 -1.995) 17.858 10.704 ( 5.974 14.521 -1.920) 15.819 10.773 ( -0.384 12.434 -4.418) 13.201 10.971 ( 2.492 -3.905 -4.213) 6.262 11.004 ( 0.093 -9.594 -6.059) 11.348 11.315 ( 1.077 4.916 1.162) 5.165 11.335 ( -1.036 0.568 1.025) 1.564 11.494 ( 0.556 -5.823 2.902) 6.530 11.512 ( 0.073 -9.418 0.596) 9.437 11.661 ( 1.115 4.782 1.314) 5.083 11.698 ( -2.950 -0.126 5.977) 6.666 11.795 ( 0.386 -6.311 3.278) 7.122 11.880 ( -7.318 -11.210 2.532) 13.624 12.730 ( 10.344 4.265 1.469) 11.284 12.786 ( 10.364 -1.174 -0.193) 10.432 12.925 ( 1.584 4.144 -1.368) 4.642 12.942 ( -4.049 2.672 -0.313) 4.861 13.025 ( -6.631 0.388 2.160) 6.984 13.090 ( 3.633 -3.892 -1.775) 5.612 13.127 ( -6.619 4.164 -2.221) 8.129 13.246 ( -7.972 -5.964 -4.518) 10.933 15.880 ( 2.254 1.983 -3.278) 4.445 15.900 ( 0.424 0.578 -3.522) 3.594 15.977 ( -1.957 -3.900 -0.985) 4.473 15.981 ( -2.432 -4.463 -1.692) 5.357 16.344 ( 5.612 2.438 2.626) 6.658 16.399 ( 4.523 -2.362 0.454) 5.123 16.443 ( -2.391 1.115 3.970) 4.767 16.493 ( -3.028 -3.145 1.677) 4.677 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 0.000 -23.502) 23.502 1.127 ( 0.000 0.000 23.502) 23.502 1.192 ( 0.000 0.000 -24.206) 24.206 1.192 ( 0.000 0.000 24.206) 24.206 2.092 ( 0.000 0.000 -28.218) 28.218 2.092 ( 0.000 0.000 28.218) 28.218 2.156 ( 0.000 0.000 -4.918) 4.918 2.156 ( 0.000 0.000 4.918) 4.918 2.445 ( 0.000 0.000 -2.845) 2.845 2.445 ( 0.000 0.000 2.845) 2.845 2.449 ( 0.000 0.000 -8.078) 8.078 2.449 ( 0.000 0.000 8.078) 8.078 2.602 ( 0.000 0.000 -2.614) 2.614 2.602 ( 0.000 0.000 2.614) 2.614 2.641 ( 0.000 0.000 -3.694) 3.694 2.641 ( 0.000 0.000 3.694) 3.694 2.680 ( 0.000 0.000 -4.380) 4.380 2.680 ( 0.000 0.000 4.380) 4.380 2.773 ( 0.000 0.000 -4.050) 4.050 2.773 ( 0.000 0.000 4.050) 4.050 3.171 ( 0.000 0.000 -4.155) 4.155 3.171 ( 0.000 0.000 4.155) 4.155 3.739 ( 0.000 0.000 -9.125) 9.125 3.739 ( 0.000 0.000 9.125) 9.125 4.072 ( 0.000 0.000 -18.250) 18.250 4.072 ( 0.000 0.000 18.250) 18.250 4.511 ( 0.000 0.000 -10.308) 10.308 4.511 ( 0.000 0.000 10.308) 10.308 4.816 ( 0.000 0.000 -14.681) 14.681 4.816 ( 0.000 0.000 14.681) 14.681 5.245 ( 0.000 0.000 -7.413) 7.413 5.245 ( 0.000 0.000 7.413) 7.413 5.561 ( 0.000 0.000 -2.048) 2.048 5.561 ( 0.000 0.000 2.048) 2.048 5.714 ( 0.000 0.000 -3.568) 3.568 5.714 ( 0.000 0.000 3.568) 3.568 5.855 ( 0.000 0.000 -8.221) 8.221 5.855 ( 0.000 0.000 8.221) 8.221 6.847 ( 0.000 0.000 -6.540) 6.540 6.847 ( 0.000 0.000 6.540) 6.540 7.651 ( 0.000 0.000 -6.886) 6.886 7.651 ( 0.000 0.000 6.886) 6.886 7.995 ( 0.000 0.000 -5.727) 5.727 7.995 ( 0.000 0.000 5.727) 5.727 8.174 ( 0.000 0.000 -7.845) 7.845 8.174 ( 0.000 0.000 7.845) 7.845 8.390 ( 0.000 0.000 -0.001) 0.001 8.390 ( 0.000 0.000 0.001) 0.001 8.636 ( 0.000 0.000 -4.417) 4.417 8.636 ( 0.000 0.000 4.417) 4.417 9.137 ( 0.000 0.000 -3.114) 3.114 9.137 ( 0.000 0.000 3.114) 3.114 9.500 ( 0.000 0.000 -10.394) 10.394 9.500 ( 0.000 0.000 10.394) 10.394 10.218 ( 0.000 0.000 -1.645) 1.645 10.218 ( 0.000 0.000 1.645) 1.645 10.399 ( 0.000 0.000 -14.081) 14.081 10.399 ( 0.000 0.000 14.081) 14.081 10.863 ( 0.000 0.000 -10.949) 10.949 10.863 ( 0.000 0.000 10.949) 10.949 10.941 ( 0.000 0.000 -1.145) 1.145 10.941 ( 0.000 0.000 1.145) 1.145 11.239 ( 0.000 0.000 -0.633) 0.633 11.239 ( 0.000 0.000 0.633) 0.633 12.495 ( 0.000 0.000 -9.151) 9.151 12.495 ( 0.000 0.000 9.151) 9.151 12.818 ( 0.000 0.000 -6.254) 6.254 12.818 ( 0.000 0.000 6.254) 6.254 12.859 ( 0.000 0.000 -0.667) 0.667 12.859 ( 0.000 0.000 0.667) 0.667 12.879 ( 0.000 0.000 -0.474) 0.474 12.879 ( 0.000 0.000 0.474) 0.474 13.774 ( 0.000 0.000 -3.422) 3.422 13.774 ( 0.000 0.000 3.422) 3.422 13.995 ( 0.000 0.000 -4.098) 4.098 13.995 ( 0.000 0.000 4.098) 4.098 15.650 ( 0.000 0.000 -2.395) 2.395 15.650 ( 0.000 0.000 2.395) 2.395 16.254 ( 0.000 0.000 -0.065) 0.065 16.254 ( 0.000 0.000 0.065) 0.065 17.689 ( 0.000 0.000 -6.892) 6.892 17.689 ( 0.000 0.000 6.892) 6.892 18.284 ( 0.000 0.000 -3.661) 3.661 18.284 ( 0.000 0.000 3.661) 3.661 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 14.260 0.000 -19.838) 24.431 1.284 ( 14.260 0.000 19.838) 24.431 1.292 ( 9.355 0.000 -21.306) 23.270 1.292 ( 9.355 0.000 21.306) 23.270 2.058 ( -9.254 0.000 -6.151) 11.112 2.058 ( -9.254 0.000 6.151) 11.112 2.166 ( 6.564 0.000 -21.697) 22.668 2.166 ( 6.564 0.000 21.697) 22.668 2.364 ( -9.689 0.000 -11.907) 15.351 2.364 ( -9.689 0.000 11.907) 15.351 2.441 ( -0.150 0.000 -2.119) 2.124 2.441 ( -0.150 0.000 2.119) 2.124 2.556 ( -2.057 0.000 -0.301) 2.079 2.556 ( -2.057 0.000 0.301) 2.079 2.766 ( 3.881 0.000 -3.709) 5.368 2.766 ( 3.881 0.000 3.709) 5.368 2.776 ( 6.164 0.000 -4.392) 7.569 2.776 ( 6.164 0.000 4.392) 7.569 2.808 ( 13.341 0.000 -11.695) 17.742 2.808 ( 13.341 0.000 11.695) 17.742 3.156 ( -1.499 0.000 -3.811) 4.095 3.156 ( -1.499 0.000 3.811) 4.095 3.716 ( -3.132 0.000 -11.372) 11.795 3.716 ( -3.132 0.000 11.372) 11.795 4.025 ( -6.892 0.000 -15.671) 17.120 4.025 ( -6.892 0.000 15.671) 17.120 4.319 ( -11.839 0.000 -14.080) 18.396 4.319 ( -11.839 0.000 14.080) 18.396 4.906 ( 3.270 0.000 -4.532) 5.589 4.906 ( 3.270 0.000 4.532) 5.589 5.159 ( -6.399 0.000 -6.916) 9.423 5.159 ( -6.399 0.000 6.916) 9.423 5.566 ( 0.692 0.000 -3.447) 3.515 5.566 ( 0.692 0.000 3.447) 3.515 5.801 ( 7.828 0.000 -1.459) 7.963 5.801 ( 7.828 0.000 1.459) 7.963 5.924 ( 5.967 0.000 -8.871) 10.691 5.924 ( 5.967 0.000 8.871) 10.691 6.791 ( -5.243 0.000 -7.488) 9.141 6.791 ( -5.243 0.000 7.488) 9.141 7.644 ( -0.661 0.000 -5.620) 5.659 7.644 ( -0.661 0.000 5.620) 5.659 7.974 ( -1.653 0.000 -4.575) 4.864 7.974 ( -1.653 0.000 4.575) 4.864 8.215 ( 1.394 0.000 -1.834) 2.304 8.215 ( 1.394 0.000 1.834) 2.304 8.415 ( 3.503 0.000 -5.157) 6.234 8.415 ( 3.503 0.000 5.157) 6.234 8.701 ( 5.830 0.000 -4.212) 7.192 8.701 ( 5.830 0.000 4.212) 7.192 9.102 ( -3.383 0.000 -3.251) 4.692 9.102 ( -3.383 0.000 3.251) 4.692 9.619 ( 11.247 0.000 -7.665) 13.611 9.619 ( 11.247 0.000 7.665) 13.611 10.215 ( -0.295 0.000 -1.330) 1.363 10.215 ( -0.295 0.000 1.330) 1.363 10.297 ( -7.227 0.000 -7.852) 10.672 10.297 ( -7.227 0.000 7.852) 10.672 10.942 ( 0.161 0.000 -0.924) 0.938 10.942 ( 0.161 0.000 0.924) 0.938 11.003 ( 8.115 0.000 -8.765) 11.945 11.003 ( 8.115 0.000 8.765) 11.945 11.236 ( 1.824 0.000 -2.160) 2.827 11.236 ( 1.824 0.000 2.160) 2.827 12.427 ( -11.363 0.000 -9.030) 14.514 12.427 ( -11.363 0.000 9.030) 14.514 12.660 ( -8.030 0.000 -2.385) 8.377 12.660 ( -8.030 0.000 2.385) 8.377 12.860 ( 0.115 0.000 -0.614) 0.625 12.860 ( 0.115 0.000 0.614) 0.625 12.877 ( -0.133 0.000 -0.458) 0.477 12.877 ( -0.133 0.000 0.458) 0.477 13.731 ( -3.323 0.000 -2.698) 4.280 13.731 ( -3.323 0.000 2.698) 4.280 14.000 ( 0.533 0.000 -3.592) 3.632 14.000 ( 0.533 0.000 3.592) 3.632 15.763 ( 9.131 0.000 -3.080) 9.636 15.763 ( 9.131 0.000 3.080) 9.636 16.302 ( 3.727 0.000 -2.544) 4.512 16.302 ( 3.727 0.000 2.544) 4.512 17.684 ( -0.545 0.000 -6.660) 6.682 17.684 ( -0.545 0.000 6.660) 6.682 18.160 ( -9.984 0.000 -1.454) 10.089 18.160 ( -9.984 0.000 1.454) 10.089 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 13.709 0.000 -15.334) 20.568 1.532 ( 13.709 0.000 15.334) 20.568 1.628 ( 18.626 0.000 -13.968) 23.282 1.628 ( 18.626 0.000 13.968) 23.282 1.821 ( -13.543 0.000 -9.892) 16.771 1.821 ( -13.543 0.000 9.892) 16.771 2.015 ( -17.887 0.000 -11.906) 21.488 2.015 ( -17.887 0.000 11.906) 21.488 2.389 ( 7.460 0.000 -17.099) 18.655 2.389 ( 7.460 0.000 17.099) 18.655 2.443 ( 0.156 0.000 -1.917) 1.923 2.443 ( 0.156 0.000 1.917) 1.923 2.530 ( -0.642 0.000 -1.200) 1.361 2.530 ( -0.642 0.000 1.200) 1.361 2.877 ( 3.207 0.000 -2.143) 3.857 2.877 ( 3.207 0.000 2.143) 3.857 2.891 ( 6.089 0.000 -6.161) 8.662 2.891 ( 6.089 0.000 6.161) 8.662 3.076 ( 9.604 0.000 -9.081) 13.218 3.076 ( 9.604 0.000 9.081) 13.218 3.121 ( -1.429 0.000 -2.024) 2.478 3.121 ( -1.429 0.000 2.024) 2.478 3.588 ( -8.104 0.000 -6.429) 10.344 3.588 ( -8.104 0.000 6.429) 10.344 3.855 ( -5.330 0.000 -9.576) 10.959 3.855 ( -5.330 0.000 9.576) 10.959 4.139 ( -6.040 0.000 -7.216) 9.410 4.139 ( -6.040 0.000 7.216) 9.410 4.903 ( -1.679 0.000 -2.164) 2.739 4.903 ( -1.679 0.000 2.164) 2.739 5.073 ( -1.609 0.000 -2.833) 3.258 5.073 ( -1.609 0.000 2.833) 3.258 5.595 ( 1.366 0.000 -1.645) 2.138 5.595 ( 1.366 0.000 1.645) 2.138 5.903 ( 1.859 0.000 -1.663) 2.494 5.903 ( 1.859 0.000 1.663) 2.494 6.092 ( 8.007 0.000 -5.334) 9.621 6.092 ( 8.007 0.000 5.334) 9.621 6.669 ( -5.276 0.000 -5.213) 7.417 6.669 ( -5.276 0.000 5.213) 7.417 7.631 ( -0.431 0.000 -2.161) 2.204 7.631 ( -0.431 0.000 2.161) 2.204 7.947 ( -0.807 0.000 -1.722) 1.902 7.947 ( -0.807 0.000 1.722) 1.902 8.197 ( -1.524 0.000 -2.023) 2.533 8.197 ( -1.524 0.000 2.023) 2.533 8.505 ( 3.370 0.000 -2.842) 4.408 8.505 ( 3.370 0.000 2.842) 4.408 8.836 ( 6.636 0.000 -3.457) 7.483 8.836 ( 6.636 0.000 3.457) 7.483 9.009 ( -5.316 0.000 -3.123) 6.166 9.009 ( -5.316 0.000 3.123) 6.166 9.884 ( 12.428 0.000 -1.474) 12.515 9.884 ( 12.428 0.000 1.474) 12.515 10.157 ( -6.732 0.000 -2.757) 7.275 10.157 ( -6.732 0.000 2.757) 7.275 10.209 ( -0.179 0.000 -0.508) 0.538 10.209 ( -0.179 0.000 0.508) 0.538 10.945 ( 0.098 0.000 -0.352) 0.365 10.945 ( 0.098 0.000 0.352) 0.365 11.011 ( -3.497 0.000 -5.719) 6.703 11.011 ( -3.497 0.000 5.719) 6.703 11.409 ( 10.883 0.000 -2.157) 11.094 11.409 ( 10.883 0.000 2.157) 11.094 12.077 ( -15.734 0.000 -1.711) 15.827 12.077 ( -15.734 0.000 1.711) 15.827 12.622 ( 0.513 0.000 -0.992) 1.117 12.622 ( 0.513 0.000 0.992) 1.117 12.863 ( 0.107 0.000 -0.335) 0.352 12.863 ( 0.107 0.000 0.335) 0.352 12.874 ( -0.119 0.000 -0.275) 0.300 12.874 ( -0.119 0.000 0.275) 0.300 13.676 ( -1.648 0.000 -0.921) 1.887 13.676 ( -1.648 0.000 0.921) 1.887 14.011 ( 0.336 0.000 -1.321) 1.363 14.011 ( 0.336 0.000 1.321) 1.363 15.926 ( 5.311 0.000 -1.896) 5.639 15.926 ( 5.311 0.000 1.896) 5.639 16.358 ( 1.333 0.000 -1.764) 2.211 16.358 ( 1.333 0.000 1.764) 2.211 17.668 ( -0.834 0.000 -3.485) 3.583 17.668 ( -0.834 0.000 3.485) 3.583 17.994 ( -4.749 0.000 -1.885) 5.110 17.994 ( -4.749 0.000 1.885) 5.110 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 9.004 -18.914) 20.948 1.221 ( 0.000 9.004 18.914) 20.948 1.364 ( 0.000 14.807 -20.787) 25.521 1.364 ( 0.000 14.807 20.787) 25.521 2.261 ( 0.000 17.208 -11.316) 20.595 2.261 ( 0.000 17.208 11.316) 20.595 2.292 ( 0.000 7.455 -9.247) 11.878 2.292 ( 0.000 7.455 9.247) 11.878 2.491 ( 0.000 11.335 -2.689) 11.650 2.491 ( 0.000 11.335 2.689) 11.650 2.581 ( 0.000 9.688 -3.466) 10.290 2.581 ( 0.000 9.688 3.466) 10.290 2.625 ( 0.000 2.503 -6.199) 6.685 2.625 ( 0.000 2.503 6.199) 6.685 2.773 ( 0.000 10.711 -5.404) 11.997 2.773 ( 0.000 10.711 5.404) 11.997 2.818 ( 0.000 12.247 -4.284) 12.974 2.818 ( 0.000 12.247 4.284) 12.974 2.889 ( 0.000 17.107 -4.391) 17.661 2.889 ( 0.000 17.107 4.391) 17.661 3.348 ( 0.000 16.758 -4.326) 17.307 3.348 ( 0.000 16.758 4.326) 17.307 3.742 ( 0.000 0.894 -9.415) 9.457 3.742 ( 0.000 0.894 9.415) 9.457 4.063 ( 0.000 -0.835 -17.792) 17.811 4.063 ( 0.000 -0.835 17.792) 17.811 4.491 ( 0.000 -1.659 -11.634) 11.752 4.491 ( 0.000 -1.659 11.634) 11.752 4.807 ( 0.000 -0.799 -13.864) 13.887 4.807 ( 0.000 -0.799 13.864) 13.887 5.199 ( 0.000 -4.195 -4.521) 6.167 5.199 ( 0.000 -4.195 4.521) 6.167 5.547 ( 0.000 -1.379 -2.671) 3.006 5.547 ( 0.000 -1.379 2.671) 3.006 5.704 ( 0.000 -0.436 -3.025) 3.056 5.704 ( 0.000 -0.436 3.025) 3.056 5.830 ( 0.000 -2.118 -7.442) 7.737 5.830 ( 0.000 -2.118 7.442) 7.737 6.711 ( 0.000 -10.871 -5.637) 12.245 6.711 ( 0.000 -10.871 5.637) 12.245 7.813 ( 0.000 12.426 -1.495) 12.516 7.813 ( 0.000 12.426 1.495) 12.516 8.083 ( 0.000 -2.008 -4.890) 5.286 8.083 ( 0.000 -2.008 4.890) 5.286 8.215 ( 0.000 12.829 -6.939) 14.585 8.215 ( 0.000 12.829 6.939) 14.585 8.359 ( 0.000 -2.156 -0.048) 2.157 8.359 ( 0.000 -2.156 0.048) 2.157 8.829 ( 0.000 17.459 -3.898) 17.888 8.829 ( 0.000 17.459 3.898) 17.888 9.263 ( 0.000 12.131 -2.669) 12.421 9.263 ( 0.000 12.131 2.669) 12.421 9.524 ( 0.000 2.695 -11.438) 11.752 9.524 ( 0.000 2.695 11.438) 11.752 10.139 ( 0.000 -6.045 -6.054) 8.555 10.139 ( 0.000 -6.045 6.054) 8.555 10.473 ( 0.000 4.082 -9.250) 10.111 10.473 ( 0.000 4.082 9.250) 10.111 10.777 ( 0.000 -3.431 -4.169) 5.400 10.777 ( 0.000 -3.431 4.169) 5.400 10.948 ( 0.000 -0.816 -1.998) 2.158 10.948 ( 0.000 -0.816 1.998) 2.158 11.359 ( 0.000 8.918 -3.524) 9.589 11.359 ( 0.000 8.918 3.524) 9.589 12.497 ( 0.000 -4.737 -5.189) 7.026 12.497 ( 0.000 -4.737 5.189) 7.026 12.544 ( 0.000 -14.316 -5.662) 15.395 12.544 ( 0.000 -14.316 5.662) 15.395 12.817 ( 0.000 -4.042 -0.552) 4.079 12.817 ( 0.000 -4.042 0.552) 4.079 12.996 ( 0.000 6.877 -4.860) 8.421 12.996 ( 0.000 6.877 4.860) 8.421 13.767 ( 0.000 -1.546 -2.060) 2.575 13.767 ( 0.000 -1.546 2.060) 2.575 13.919 ( 0.000 -7.588 -3.475) 8.346 13.919 ( 0.000 -7.588 3.475) 8.346 15.771 ( 0.000 9.106 -0.590) 9.125 15.771 ( 0.000 9.106 0.590) 9.125 16.251 ( 0.000 -0.046 -1.390) 1.391 16.251 ( 0.000 -0.046 1.390) 1.391 17.605 ( 0.000 -8.468 -6.218) 10.506 17.605 ( 0.000 -8.468 6.218) 10.506 18.120 ( 0.000 -15.431 -0.489) 15.439 18.120 ( 0.000 -15.431 0.489) 15.439 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 10.966 7.204 -19.151) 23.214 1.334 ( 10.966 7.204 19.151) 23.214 1.473 ( 10.077 13.501 -20.548) 26.571 1.473 ( 10.077 13.501 20.548) 26.571 2.188 ( -8.717 9.472 -3.835) 13.432 2.188 ( -8.717 9.472 3.835) 13.432 2.297 ( -0.907 11.567 -10.404) 15.584 2.297 ( -0.907 11.567 10.404) 15.584 2.403 ( -4.683 10.082 -18.707) 21.761 2.403 ( -4.683 10.082 18.707) 21.761 2.597 ( 1.143 12.731 -4.369) 13.508 2.597 ( 1.143 12.731 4.369) 13.508 2.705 ( -1.569 10.974 -1.037) 11.134 2.705 ( -1.569 10.974 1.037) 11.134 2.810 ( 11.524 5.073 -4.608) 13.408 2.810 ( 11.524 5.073 4.608) 13.408 2.864 ( 6.339 12.298 -13.003) 18.987 2.864 ( 6.339 12.298 13.003) 18.987 2.961 ( 5.183 15.927 -4.748) 17.409 2.961 ( 5.183 15.927 4.748) 17.409 3.334 ( -1.340 16.773 -3.859) 17.264 3.334 ( -1.340 16.773 3.859) 17.264 3.716 ( -3.078 0.448 -11.042) 11.472 3.716 ( -3.078 0.448 11.042) 11.472 4.020 ( -6.159 -0.007 -15.051) 16.262 4.020 ( -6.159 -0.007 15.051) 16.262 4.307 ( -11.755 -0.922 -13.647) 18.036 4.307 ( -11.755 -0.922 13.647) 18.036 4.893 ( 3.280 -1.261 -4.814) 5.960 4.893 ( 3.280 -1.261 4.814) 5.960 5.124 ( -5.953 -3.016 -5.803) 8.844 5.124 ( -5.953 -3.016 5.803) 8.844 5.524 ( 0.283 -3.879 -2.942) 4.877 5.524 ( 0.283 -3.879 2.942) 4.877 5.794 ( 5.520 -0.681 -2.550) 6.119 5.794 ( 5.520 -0.681 2.550) 6.119 5.897 ( 6.875 -1.992 -8.253) 10.924 5.897 ( 6.875 -1.992 8.253) 10.924 6.672 ( -3.877 -9.768 -7.645) 12.996 6.672 ( -3.877 -9.768 7.645) 12.996 7.816 ( 0.585 13.352 -1.286) 13.426 7.816 ( 0.585 13.352 1.286) 13.426 8.083 ( -2.579 5.632 -0.132) 6.196 8.083 ( -2.579 5.632 0.132) 6.196 8.207 ( 1.818 1.809 -2.253) 3.414 8.207 ( 1.818 1.809 2.253) 3.414 8.418 ( 4.148 1.819 -6.180) 7.663 8.418 ( 4.148 1.819 6.180) 7.663 8.868 ( 3.842 15.905 -3.855) 16.811 8.868 ( 3.842 15.905 3.855) 16.811 9.224 ( -3.612 11.561 -2.730) 12.416 9.224 ( -3.612 11.561 2.730) 12.416 9.629 ( 10.041 1.482 -7.765) 12.780 9.629 ( 10.041 1.482 7.765) 12.780 10.142 ( -0.105 -4.501 -5.110) 6.810 10.142 ( -0.105 -4.501 5.110) 6.810 10.369 ( -6.404 3.755 -3.807) 8.342 10.369 ( -6.404 3.755 3.807) 8.342 10.841 ( 1.789 -4.950 -0.891) 5.338 10.841 ( 1.789 -4.950 0.891) 5.338 11.038 ( 7.987 0.338 -5.035) 9.448 11.038 ( 7.987 0.338 5.035) 9.448 11.322 ( -1.977 6.723 -1.570) 7.181 11.322 ( -1.977 6.723 1.570) 7.181 12.414 ( -12.991 -4.316 -6.220) 15.036 12.414 ( -12.991 -4.316 6.220) 15.036 12.470 ( -3.930 -12.591 -4.882) 14.064 12.470 ( -3.930 -12.591 4.882) 14.064 12.806 ( 0.343 -4.451 -2.171) 4.964 12.806 ( 0.343 -4.451 2.171) 4.964 12.957 ( -1.384 6.863 -2.346) 7.383 12.957 ( -1.384 6.863 2.346) 7.383 13.716 ( -3.300 -2.586 -2.488) 4.875 13.716 ( -3.300 -2.586 2.488) 4.875 13.961 ( 2.345 -4.599 -3.007) 5.974 13.961 ( 2.345 -4.599 3.007) 5.974 15.842 ( 6.147 6.172 -2.642) 9.103 15.842 ( 6.147 6.172 2.642) 9.103 16.300 ( 3.796 -0.055 -2.979) 4.826 16.300 ( 3.796 -0.055 2.979) 4.826 17.598 ( -0.755 -8.652 -5.989) 10.549 17.598 ( -0.755 -8.652 5.989) 10.549 18.024 ( -7.786 -13.036 -1.824) 15.293 18.024 ( -7.786 -13.036 1.824) 15.293 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 15.262 6.399 -10.988) 19.865 1.614 ( 15.262 6.399 10.988) 19.865 1.725 ( 13.369 9.159 -14.461) 21.719 1.725 ( 13.369 9.159 14.461) 21.719 1.958 ( -12.358 10.661 -4.538) 16.940 1.958 ( -12.358 10.661 4.538) 16.940 2.074 ( -15.437 7.249 -7.863) 18.780 2.074 ( -15.437 7.249 7.863) 18.780 2.457 ( 3.522 12.141 -6.804) 14.357 2.457 ( 3.522 12.141 6.804) 14.357 2.634 ( 2.454 13.248 -3.336) 13.881 2.634 ( 2.454 13.248 3.336) 13.881 2.677 ( -0.896 14.737 -1.578) 14.848 2.677 ( -0.896 14.737 1.578) 14.848 2.977 ( 4.886 10.803 -2.132) 12.047 2.977 ( 4.886 10.803 2.132) 12.047 3.058 ( 5.690 13.918 -3.637) 15.470 3.058 ( 5.690 13.918 3.637) 15.470 3.087 ( 7.467 5.119 -10.241) 13.669 3.087 ( 7.467 5.119 10.241) 13.669 3.313 ( 0.363 16.967 -2.391) 17.139 3.313 ( 0.363 16.967 2.391) 17.139 3.599 ( -7.728 1.769 -6.495) 10.249 3.599 ( -7.728 1.769 6.495) 10.249 3.856 ( -5.660 0.993 -8.767) 10.482 3.856 ( -5.660 0.993 8.767) 10.482 4.128 ( -5.931 -0.980 -7.274) 9.436 4.128 ( -5.931 -0.980 7.274) 9.436 4.893 ( -1.543 -1.019 -1.833) 2.604 4.893 ( -1.543 -1.019 1.833) 2.604 5.041 ( -1.660 -2.828 -2.448) 4.092 5.041 ( -1.660 -2.828 2.448) 4.092 5.557 ( 1.630 -3.824 -2.088) 4.652 5.557 ( 1.630 -3.824 2.088) 4.652 5.856 ( 1.147 -4.223 -1.484) 4.621 5.856 ( 1.147 -4.223 1.484) 4.621 6.072 ( 7.499 -1.453 -4.536) 8.883 6.072 ( 7.499 -1.453 4.536) 8.883 6.575 ( -4.457 -7.932 -5.401) 10.581 6.575 ( -4.457 -7.932 5.401) 10.581 7.842 ( 1.683 17.281 -0.290) 17.365 7.842 ( 1.683 17.281 0.290) 17.365 8.003 ( -3.675 3.380 -0.199) 4.997 8.003 ( -3.675 3.380 0.199) 4.997 8.243 ( 0.778 5.087 -1.794) 5.450 8.243 ( 0.778 5.087 1.794) 5.450 8.492 ( 2.498 -0.782 -3.273) 4.191 8.492 ( 2.498 -0.782 3.273) 4.191 8.970 ( 5.425 13.181 -3.050) 14.576 8.970 ( 5.425 13.181 3.050) 14.576 9.130 ( -5.067 11.748 -2.440) 13.024 9.130 ( -5.067 11.748 2.440) 13.024 9.873 ( 11.934 -0.758 -1.417) 12.041 9.873 ( 11.934 -0.758 1.417) 12.041 10.089 ( -5.855 -3.073 -1.673) 6.821 10.089 ( -5.855 -3.073 1.673) 6.821 10.308 ( 0.303 5.715 -0.706) 5.766 10.308 ( 0.303 5.715 0.706) 5.766 10.842 ( -0.844 -6.269 -1.495) 6.500 10.842 ( -0.844 -6.269 1.495) 6.500 11.069 ( -3.364 2.255 -3.841) 5.582 11.069 ( -3.364 2.255 3.841) 5.582 11.428 ( 10.023 1.537 -1.670) 10.277 11.428 ( 10.023 1.537 1.670) 10.277 12.069 ( -15.255 -0.865 -1.848) 15.391 12.069 ( -15.255 -0.865 1.848) 15.391 12.424 ( -1.131 -14.745 -1.334) 14.848 12.424 ( -1.131 -14.745 1.334) 14.848 12.832 ( 1.204 -3.168 -1.498) 3.705 12.832 ( 1.204 -3.168 1.498) 3.705 12.953 ( 0.332 6.066 -1.597) 6.281 12.953 ( 0.332 6.066 1.597) 6.281 13.666 ( -1.407 -1.985 -1.068) 2.657 13.666 ( -1.407 -1.985 1.068) 2.657 13.990 ( 0.625 -3.157 -1.198) 3.434 13.990 ( 0.625 -3.157 1.198) 3.434 15.960 ( 4.110 2.811 -1.571) 5.222 15.960 ( 4.110 2.811 1.571) 5.222 16.358 ( 1.460 0.024 -1.878) 2.379 16.358 ( 1.460 0.024 1.878) 2.379 17.576 ( -1.058 -9.133 -3.035) 9.682 17.576 ( -1.058 -9.133 3.035) 9.682 17.894 ( -3.725 -9.923 -1.630) 10.724 17.894 ( -3.725 -9.923 1.630) 10.724 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 13.220 -9.226) 16.121 1.445 ( 0.000 13.220 9.226) 16.121 1.695 ( 0.000 18.504 -11.958) 22.031 1.695 ( 0.000 18.504 11.958) 22.031 2.372 ( 0.000 4.473 -8.804) 9.875 2.372 ( 0.000 4.473 8.804) 9.875 2.586 ( 0.000 5.825 -3.985) 7.057 2.586 ( 0.000 5.825 3.985) 7.057 2.613 ( 0.000 1.344 -4.395) 4.596 2.613 ( 0.000 1.344 4.395) 4.596 2.854 ( 0.000 25.126 -1.324) 25.161 2.854 ( 0.000 25.126 1.324) 25.161 2.953 ( 0.000 26.700 -16.054) 31.155 2.953 ( 0.000 26.700 16.054) 31.155 3.091 ( 0.000 22.007 -1.422) 22.053 3.091 ( 0.000 22.007 1.422) 22.053 3.242 ( 0.000 25.386 -1.802) 25.449 3.242 ( 0.000 25.386 1.802) 25.449 3.278 ( 0.000 21.495 -2.475) 21.637 3.278 ( 0.000 21.495 2.475) 21.637 3.734 ( 0.000 17.676 -9.106) 19.884 3.734 ( 0.000 17.676 9.106) 19.884 3.842 ( 0.000 14.229 -4.798) 15.016 3.842 ( 0.000 14.229 4.798) 15.016 4.050 ( 0.000 0.011 -15.989) 15.989 4.050 ( 0.000 0.011 15.989) 15.989 4.464 ( 0.000 -0.405 -12.919) 12.925 4.464 ( 0.000 -0.405 12.919) 12.925 4.794 ( 0.000 -0.089 -11.148) 11.148 4.794 ( 0.000 -0.089 11.148) 11.148 5.098 ( 0.000 -5.892 -0.977) 5.972 5.098 ( 0.000 -5.892 0.977) 5.972 5.510 ( 0.000 -2.317 -3.632) 4.308 5.510 ( 0.000 -2.317 3.632) 4.308 5.711 ( 0.000 1.129 -1.542) 1.911 5.711 ( 0.000 1.129 1.542) 1.911 5.793 ( 0.000 -1.213 -6.281) 6.397 5.793 ( 0.000 -1.213 6.281) 6.397 6.501 ( 0.000 -9.822 -3.731) 10.506 6.501 ( 0.000 -9.822 3.731) 10.506 7.979 ( 0.000 -4.510 -3.706) 5.838 7.979 ( 0.000 -4.510 3.706) 5.838 8.009 ( 0.000 4.695 -5.636) 7.335 8.009 ( 0.000 4.695 5.636) 7.335 8.324 ( 0.000 -0.773 -2.253) 2.382 8.324 ( 0.000 -0.773 2.253) 2.382 8.540 ( 0.000 16.568 -3.738) 16.985 8.540 ( 0.000 16.568 3.738) 16.985 9.216 ( 0.000 19.562 -2.585) 19.732 9.216 ( 0.000 19.562 2.585) 19.732 9.540 ( 0.000 13.065 -0.694) 13.083 9.540 ( 0.000 13.065 0.694) 13.083 9.625 ( 0.000 8.326 -11.797) 14.439 9.625 ( 0.000 8.326 11.797) 14.439 10.039 ( 0.000 -2.467 -5.846) 6.345 10.039 ( 0.000 -2.467 5.846) 6.345 10.444 ( 0.000 -6.115 -3.151) 6.879 10.444 ( 0.000 -6.115 3.151) 6.879 10.834 ( 0.000 5.093 -3.321) 6.080 10.834 ( 0.000 5.093 3.321) 6.080 10.928 ( 0.000 2.463 -5.357) 5.895 10.928 ( 0.000 2.463 5.357) 5.895 11.508 ( 0.000 5.854 -4.163) 7.184 11.508 ( 0.000 5.854 4.163) 7.184 12.167 ( 0.000 -14.456 -0.043) 14.456 12.167 ( 0.000 -14.456 0.043) 14.456 12.517 ( 0.000 -1.081 -10.061) 10.119 12.517 ( 0.000 -1.081 10.061) 10.119 12.754 ( 0.000 -2.254 -3.384) 4.066 12.754 ( 0.000 -2.254 3.384) 4.066 13.117 ( 0.000 5.080 -5.170) 7.248 13.117 ( 0.000 5.080 5.170) 7.248 13.665 ( 0.000 -10.469 -4.079) 11.235 13.665 ( 0.000 -10.469 4.079) 11.235 13.736 ( 0.000 -9.298 -0.013) 9.298 13.736 ( 0.000 -9.298 0.013) 9.298 15.897 ( 0.000 2.910 -1.719) 3.380 15.897 ( 0.000 2.910 1.719) 3.380 16.260 ( 0.000 0.853 -4.225) 4.311 16.260 ( 0.000 0.853 4.225) 4.311 17.374 ( 0.000 -14.517 -4.461) 15.187 17.374 ( 0.000 -14.517 4.461) 15.187 17.747 ( 0.000 -21.513 -2.321) 21.637 17.747 ( 0.000 -21.513 2.321) 21.637 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 8.465 11.848 -12.188) 18.989 1.528 ( 8.465 11.848 12.188) 18.989 1.762 ( 6.374 15.885 -15.988) 23.422 1.762 ( 6.374 15.885 15.988) 23.422 2.312 ( -6.400 5.585 -8.032) 11.691 2.312 ( -6.400 5.585 8.032) 11.691 2.506 ( -8.086 6.841 -4.172) 11.384 2.506 ( -8.086 6.841 4.172) 11.384 2.693 ( 6.812 7.287 -5.496) 11.389 2.693 ( 6.812 7.287 5.496) 11.389 2.881 ( 2.268 21.097 -1.521) 21.273 2.881 ( 2.268 21.097 1.521) 21.273 2.959 ( 1.070 22.098 -8.925) 23.857 2.959 ( 1.070 22.098 8.925) 23.857 3.110 ( 3.128 21.518 -2.351) 21.871 3.110 ( 3.128 21.518 2.351) 21.871 3.279 ( 3.933 26.505 -10.280) 28.700 3.279 ( 3.933 26.505 10.280) 28.700 3.330 ( 3.580 19.150 -2.792) 19.681 3.330 ( 3.580 19.150 2.792) 19.681 3.722 ( -1.524 19.249 -8.029) 20.912 3.722 ( -1.524 19.249 8.029) 20.912 3.784 ( -3.962 9.639 -6.860) 12.476 3.784 ( -3.962 9.639 6.860) 12.476 4.059 ( -1.118 5.558 -11.985) 13.259 4.059 ( -1.118 5.558 11.985) 13.259 4.306 ( -11.208 2.095 -12.486) 16.909 4.306 ( -11.208 2.095 12.486) 16.909 4.860 ( 2.634 -1.995 -4.453) 5.546 4.860 ( 2.634 -1.995 4.453) 5.546 5.062 ( -3.887 -3.035 -3.927) 6.304 5.062 ( -3.887 -3.035 3.927) 6.304 5.432 ( -2.069 -5.155 -1.818) 5.844 5.432 ( -2.069 -5.155 1.818) 5.844 5.775 ( 0.556 -1.037 -5.098) 5.232 5.775 ( 0.556 -1.037 5.098) 5.232 5.875 ( 9.403 0.008 -5.537) 10.912 5.875 ( 9.403 0.008 5.537) 10.912 6.478 ( -2.426 -9.334 -6.669) 11.725 6.478 ( -2.426 -9.334 6.669) 11.725 7.993 ( -1.149 3.224 -3.587) 4.958 7.993 ( -1.149 3.224 3.587) 4.958 8.063 ( 6.765 -3.834 -2.043) 8.040 8.063 ( 6.765 -3.834 2.043) 8.040 8.319 ( 0.204 5.472 -1.491) 5.675 8.319 ( 0.204 5.472 1.491) 5.675 8.556 ( 0.281 11.599 -4.960) 12.618 8.556 ( 0.281 11.599 4.960) 12.618 9.240 ( 2.346 19.594 -2.048) 19.840 9.240 ( 2.346 19.594 2.048) 19.840 9.473 ( -3.300 10.965 -0.862) 11.483 9.473 ( -3.300 10.965 0.862) 11.483 9.723 ( 6.849 9.748 -7.343) 13.995 9.723 ( 6.849 9.748 7.343) 13.995 10.076 ( 2.833 -1.647 -5.072) 6.039 10.076 ( 2.833 -1.647 5.072) 6.039 10.376 ( -4.386 -3.273 -1.517) 5.679 10.376 ( -4.386 -3.273 1.517) 5.679 10.812 ( -2.278 0.881 -4.487) 5.109 10.812 ( -2.278 0.881 4.487) 5.109 11.040 ( 8.424 1.960 -4.656) 9.822 11.040 ( 8.424 1.960 4.656) 9.822 11.437 ( -5.382 4.549 -2.650) 7.529 11.437 ( -5.382 4.549 2.650) 7.529 12.139 ( -2.775 -12.787 -1.854) 13.216 12.139 ( -2.775 -12.787 1.854) 13.216 12.422 ( -10.587 -0.978 -10.041) 14.624 12.422 ( -10.587 -0.978 10.041) 14.624 12.750 ( 0.724 -1.244 -6.160) 6.326 12.750 ( 0.724 -1.244 6.160) 6.326 13.085 ( -1.629 5.707 -3.207) 6.746 13.085 ( -1.629 5.707 3.207) 6.746 13.595 ( -3.027 -9.926 -2.770) 10.740 13.595 ( -3.027 -9.926 2.770) 10.740 13.816 ( 3.672 -10.016 -1.550) 10.780 13.816 ( 3.672 -10.016 1.550) 10.780 15.931 ( 3.268 2.127 -1.776) 4.285 15.931 ( 3.268 2.127 1.776) 4.285 16.302 ( 3.364 0.240 -4.323) 5.483 16.302 ( 3.364 0.240 4.323) 5.483 17.364 ( -1.182 -14.721 -4.333) 15.391 17.364 ( -1.182 -14.721 4.333) 15.391 17.696 ( -4.103 -19.506 -2.330) 20.069 17.696 ( -4.103 -19.506 2.330) 20.069 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 13.436 8.611 -9.090) 18.366 1.763 ( 13.436 8.611 9.090) 18.366 1.912 ( 5.283 9.745 -15.494) 19.051 1.912 ( 5.283 9.745 15.494) 19.051 2.133 ( -8.602 8.477 -8.029) 14.503 2.133 ( -8.602 8.477 8.029) 14.503 2.303 ( -10.094 13.086 -8.300) 18.494 2.303 ( -10.094 13.086 8.300) 18.494 2.822 ( 4.450 16.907 -4.431) 18.036 2.822 ( 4.450 16.907 4.431) 18.036 2.931 ( 2.493 17.056 -3.102) 17.514 2.931 ( 2.493 17.056 3.102) 17.514 2.970 ( -0.676 16.525 -1.835) 16.641 2.970 ( -0.676 16.525 1.835) 16.641 3.230 ( 7.921 16.650 -1.874) 18.533 3.230 ( 7.921 16.650 1.874) 18.533 3.338 ( -0.512 19.187 -2.743) 19.389 3.338 ( -0.512 19.187 2.743) 19.389 3.383 ( 0.182 13.635 -5.413) 14.672 3.383 ( 0.182 13.635 5.413) 14.672 3.689 ( 0.546 17.714 -3.257) 18.019 3.689 ( 0.546 17.714 3.257) 18.019 3.752 ( 0.985 18.588 -5.669) 19.458 3.752 ( 0.985 18.588 5.669) 19.458 3.971 ( -6.149 13.909 -5.588) 16.202 3.971 ( -6.149 13.909 5.588) 16.202 4.119 ( -6.250 1.110 -8.081) 10.276 4.119 ( -6.250 1.110 8.081) 10.276 4.866 ( -0.740 -1.626 -1.076) 2.086 4.866 ( -0.740 -1.626 1.076) 2.086 4.984 ( -2.405 -2.606 -1.332) 3.788 4.984 ( -2.405 -2.606 1.332) 3.788 5.454 ( 2.078 -6.323 -2.669) 7.171 5.454 ( 2.078 -6.323 2.669) 7.171 5.770 ( -0.505 -3.774 -2.925) 4.801 5.770 ( -0.505 -3.774 2.925) 4.801 6.056 ( 6.754 0.065 -3.844) 7.772 6.056 ( 6.754 0.065 3.844) 7.772 6.411 ( -3.422 -8.482 -5.255) 10.549 6.411 ( -3.422 -8.482 5.255) 10.549 7.973 ( -0.559 -0.704 -1.516) 1.763 7.973 ( -0.559 -0.704 1.516) 1.763 8.174 ( 2.865 6.309 -0.772) 6.972 8.174 ( 2.865 6.309 0.772) 6.972 8.353 ( 2.738 6.146 -0.627) 6.757 8.353 ( 2.738 6.146 0.627) 6.757 8.526 ( -2.462 5.718 -3.370) 7.079 8.526 ( -2.462 5.718 3.370) 7.079 9.301 ( 3.206 18.693 -1.369) 19.015 9.301 ( 3.206 18.693 1.369) 19.015 9.413 ( -2.968 14.921 -0.311) 15.216 9.413 ( -2.968 14.921 0.311) 15.216 9.890 ( 9.386 3.713 -3.896) 10.819 9.890 ( 9.386 3.713 3.896) 10.819 10.058 ( -5.941 0.145 -0.908) 6.012 10.058 ( -5.941 0.145 0.908) 6.012 10.384 ( 4.934 1.447 -2.769) 5.840 10.384 ( 4.934 1.447 2.769) 5.840 10.750 ( -3.444 -2.948 -3.257) 5.583 10.750 ( -3.444 -2.948 3.257) 5.583 11.086 ( -3.801 0.109 -2.070) 4.329 11.086 ( -3.801 0.109 2.070) 4.329 11.455 ( 7.247 1.241 -0.201) 7.355 11.455 ( 7.247 1.241 0.201) 7.355 12.032 ( -8.361 -3.125 -3.957) 9.763 12.032 ( -8.361 -3.125 3.957) 9.763 12.203 ( -5.761 -5.300 -4.498) 9.028 12.203 ( -5.761 -5.300 4.498) 9.028 12.785 ( 1.732 -1.266 -3.108) 3.776 12.785 ( 1.732 -1.266 3.108) 3.776 13.068 ( -0.388 5.552 -2.570) 6.130 13.068 ( -0.388 5.552 2.570) 6.130 13.562 ( -0.620 -9.088 -1.295) 9.201 13.562 ( -0.620 -9.088 1.295) 9.201 13.856 ( 0.727 -10.635 -0.755) 10.687 13.856 ( 0.727 -10.635 0.755) 10.687 16.001 ( 2.624 0.711 -0.897) 2.863 16.001 ( 2.624 0.711 0.897) 2.863 16.357 ( 1.499 -0.224 -2.160) 2.638 16.357 ( 1.499 -0.224 2.160) 2.638 17.332 ( -1.400 -15.149 -2.131) 15.362 17.332 ( -1.400 -15.149 2.131) 15.362 17.629 ( -1.879 -16.592 -1.036) 16.730 17.629 ( -1.879 -16.592 1.036) 16.730 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 13.977 -4.333) 14.633 1.714 ( 0.000 13.977 4.333) 14.633 2.065 ( 0.000 18.684 -6.455) 19.768 2.065 ( 0.000 18.684 6.455) 19.768 2.470 ( 0.000 4.832 -2.941) 5.656 2.470 ( 0.000 4.832 2.941) 5.656 2.624 ( 0.000 0.712 -1.115) 1.322 2.624 ( 0.000 0.712 1.115) 1.322 2.676 ( 0.000 5.674 -2.168) 6.074 2.676 ( 0.000 5.674 2.168) 6.074 3.278 ( 0.000 12.484 -0.021) 12.484 3.278 ( 0.000 12.484 0.021) 12.484 3.454 ( 0.000 19.046 -1.614) 19.114 3.454 ( 0.000 19.046 1.614) 19.114 3.503 ( 0.000 19.024 -6.057) 19.964 3.503 ( 0.000 19.024 6.057) 19.964 3.658 ( 0.000 25.825 -0.949) 25.843 3.658 ( 0.000 25.825 0.949) 25.843 3.811 ( 0.000 24.832 -2.869) 24.997 3.811 ( 0.000 24.832 2.869) 24.997 4.016 ( 0.000 11.721 -5.709) 13.038 4.016 ( 0.000 11.721 5.709) 13.038 4.090 ( 0.000 9.837 -4.722) 10.911 4.090 ( 0.000 9.837 4.722) 10.911 4.270 ( 0.000 21.548 -8.147) 23.036 4.270 ( 0.000 21.548 8.147) 23.036 4.532 ( 0.000 9.728 -8.379) 12.839 4.532 ( 0.000 9.728 8.379) 12.839 4.837 ( 0.000 5.706 -4.986) 7.578 4.837 ( 0.000 5.706 4.986) 7.578 4.977 ( 0.000 -6.142 -1.828) 6.408 4.977 ( 0.000 -6.142 1.828) 6.408 5.474 ( 0.000 -0.416 -2.793) 2.824 5.474 ( 0.000 -0.416 2.793) 2.824 5.735 ( 0.000 0.659 -0.708) 0.967 5.735 ( 0.000 0.659 0.708) 0.967 5.798 ( 0.000 2.214 -5.306) 5.749 5.798 ( 0.000 2.214 5.306) 5.749 6.347 ( 0.000 -5.609 -0.199) 5.612 6.347 ( 0.000 -5.609 0.199) 5.612 7.880 ( 0.000 -4.019 -4.359) 5.929 7.880 ( 0.000 -4.019 4.359) 5.929 8.061 ( 0.000 0.358 -7.413) 7.422 8.061 ( 0.000 0.358 7.413) 7.422 8.334 ( 0.000 1.673 -2.701) 3.177 8.334 ( 0.000 1.673 2.701) 3.177 8.790 ( 0.000 8.355 -1.934) 8.576 8.790 ( 0.000 8.355 1.934) 8.576 9.509 ( 0.000 8.756 -1.739) 8.927 9.509 ( 0.000 8.756 1.739) 8.927 9.687 ( 0.000 4.040 -6.726) 7.846 9.687 ( 0.000 4.040 6.726) 7.846 9.796 ( 0.000 6.298 -11.351) 12.981 9.796 ( 0.000 6.298 11.351) 12.981 10.090 ( 0.000 3.520 -5.070) 6.172 10.090 ( 0.000 3.520 5.070) 6.172 10.331 ( 0.000 -1.102 -3.933) 4.084 10.331 ( 0.000 -1.102 3.933) 4.084 10.868 ( 0.000 3.230 -6.860) 7.583 10.868 ( 0.000 3.230 6.860) 7.583 11.130 ( 0.000 13.501 -1.342) 13.567 11.130 ( 0.000 13.501 1.342) 13.567 11.593 ( 0.000 3.347 -2.582) 4.227 11.593 ( 0.000 3.347 2.582) 4.227 12.003 ( 0.000 -2.673 -0.228) 2.683 12.003 ( 0.000 -2.673 0.228) 2.683 12.441 ( 0.000 -7.711 -11.836) 14.126 12.441 ( 0.000 -7.711 11.836) 14.126 12.729 ( 0.000 -0.368 -5.260) 5.273 12.729 ( 0.000 -0.368 5.260) 5.273 13.169 ( 0.000 -0.715 -1.424) 1.593 13.169 ( 0.000 -0.715 1.424) 1.593 13.433 ( 0.000 -10.246 -1.958) 10.431 13.433 ( 0.000 -10.246 1.958) 10.431 13.534 ( 0.000 -12.046 -3.299) 12.490 13.534 ( 0.000 -12.046 3.299) 12.490 15.900 ( 0.000 -1.821 -2.342) 2.967 15.900 ( 0.000 -1.821 2.342) 2.967 16.273 ( 0.000 0.360 -5.436) 5.447 16.273 ( 0.000 0.360 5.436) 5.447 17.067 ( 0.000 -16.151 -2.448) 16.335 17.067 ( 0.000 -16.151 2.448) 16.335 17.313 ( 0.000 -22.398 -2.531) 22.541 17.313 ( 0.000 -22.398 2.531) 22.541 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 5.937 12.857 -5.032) 15.029 1.773 ( 5.937 12.857 5.032) 15.029 2.082 ( 1.966 16.332 -9.028) 18.765 2.082 ( 1.966 16.332 9.028) 18.765 2.438 ( -4.442 7.005 -5.371) 9.882 2.438 ( -4.442 7.005 5.371) 9.882 2.593 ( -2.297 3.330 -3.650) 5.449 2.593 ( -2.297 3.330 3.650) 5.449 2.766 ( 8.077 3.697 -4.895) 10.142 2.766 ( 8.077 3.697 4.895) 10.142 3.242 ( -2.094 11.189 -4.573) 12.268 3.242 ( -2.094 11.189 4.573) 12.268 3.441 ( -1.224 20.637 -2.976) 20.886 3.441 ( -1.224 20.637 2.976) 20.886 3.494 ( -1.704 14.009 -4.044) 14.680 3.494 ( -1.704 14.009 4.044) 14.680 3.653 ( -0.391 22.329 -1.354) 22.374 3.653 ( -0.391 22.329 1.354) 22.374 3.808 ( -1.182 20.933 -3.860) 21.319 3.808 ( -1.182 20.933 3.860) 21.319 4.027 ( -0.419 12.184 -5.043) 13.193 4.027 ( -0.419 12.184 5.043) 13.193 4.086 ( 3.378 20.492 -5.269) 21.427 4.086 ( 3.378 20.492 5.269) 21.427 4.280 ( -1.018 16.633 -7.179) 18.145 4.280 ( -1.018 16.633 7.179) 18.145 4.490 ( -2.640 17.375 -6.699) 18.808 4.490 ( -2.640 17.375 6.699) 18.808 4.829 ( -0.551 -0.416 -1.244) 1.422 4.829 ( -0.551 -0.416 1.244) 1.422 5.022 ( 1.501 -0.316 -3.125) 3.482 5.022 ( 1.501 -0.316 3.125) 3.482 5.350 ( -6.079 -1.886 -2.521) 6.846 5.350 ( -6.079 -1.886 2.521) 6.846 5.769 ( -1.449 0.741 -6.120) 6.333 5.769 ( -1.449 0.741 6.120) 6.333 5.889 ( 9.605 0.978 -2.399) 9.948 5.889 ( 9.605 0.978 2.399) 9.948 6.325 ( -2.256 -5.803 -4.587) 7.733 6.325 ( -2.256 -5.803 4.587) 7.733 7.955 ( 4.864 -4.030 -4.173) 7.571 7.955 ( 4.864 -4.030 4.173) 7.571 8.034 ( 0.185 -0.156 -6.911) 6.915 8.034 ( 0.185 -0.156 6.911) 6.915 8.398 ( 4.637 2.918 -3.614) 6.564 8.398 ( 4.637 2.918 3.614) 6.564 8.751 ( -3.964 6.699 -1.757) 7.980 8.751 ( -3.964 6.699 1.757) 7.980 9.514 ( 1.999 6.452 -0.482) 6.772 9.514 ( 1.999 6.452 0.482) 6.772 9.654 ( -1.141 9.418 -4.577) 10.533 9.654 ( -1.141 9.418 4.577) 10.533 9.917 ( 7.018 5.381 -6.029) 10.703 9.917 ( 7.018 5.381 6.029) 10.703 10.110 ( 2.888 3.017 -7.102) 8.239 10.110 ( 2.888 3.017 7.102) 8.239 10.306 ( -1.649 0.739 -4.899) 5.221 10.306 ( -1.649 0.739 4.899) 5.221 10.825 ( -4.335 1.426 -5.873) 7.438 10.825 ( -4.335 1.426 5.873) 7.438 11.165 ( 2.083 9.484 -1.182) 9.782 11.165 ( 2.083 9.484 1.182) 9.782 11.508 ( -6.177 3.345 -2.656) 7.510 11.508 ( -6.177 3.345 2.656) 7.510 11.996 ( -0.314 -1.858 -1.917) 2.688 11.996 ( -0.314 -1.858 1.917) 2.688 12.379 ( -6.751 -4.065 -10.323) 12.987 12.379 ( -6.751 -4.065 10.323) 12.987 12.752 ( 1.627 1.285 -6.940) 7.243 12.752 ( 1.627 1.285 6.940) 7.243 13.144 ( -0.953 -1.521 -1.177) 2.146 13.144 ( -0.953 -1.521 1.177) 2.146 13.371 ( -3.526 -10.373 -3.976) 11.655 13.371 ( -3.526 -10.373 3.976) 11.655 13.581 ( 2.039 -13.535 -1.857) 13.813 13.581 ( 2.039 -13.535 1.857) 13.813 15.928 ( 2.570 -1.970 -1.952) 3.781 15.928 ( 2.570 -1.970 1.952) 3.781 16.303 ( 2.470 -0.286 -4.936) 5.527 16.303 ( 2.470 -0.286 4.936) 5.527 17.054 ( -1.487 -16.218 -2.638) 16.499 17.054 ( -1.487 -16.218 2.638) 16.499 17.294 ( -1.462 -21.165 -1.885) 21.299 17.294 ( -1.462 -21.165 1.885) 21.299 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 9.498 9.311 -3.845) 13.845 1.939 ( 9.498 9.311 3.845) 13.845 2.109 ( -2.040 10.052 -7.170) 12.514 2.109 ( -2.040 10.052 7.170) 12.514 2.327 ( -3.575 11.541 -5.500) 13.275 2.327 ( -3.575 11.541 5.500) 13.275 2.528 ( -3.565 10.063 -5.747) 12.124 2.528 ( -3.565 10.063 5.747) 12.124 2.932 ( 6.151 1.634 -4.351) 7.709 2.932 ( 6.151 1.634 4.351) 7.709 3.236 ( 0.836 8.679 -2.896) 9.187 3.236 ( 0.836 8.679 2.896) 9.187 3.404 ( -1.115 17.487 -2.655) 17.723 3.404 ( -1.115 17.487 2.655) 17.723 3.445 ( -2.728 9.549 -2.949) 10.360 3.445 ( -2.728 9.549 2.949) 10.360 3.660 ( 1.602 19.696 -1.930) 19.855 3.660 ( 1.602 19.696 1.930) 19.855 3.732 ( -5.238 16.365 -1.628) 17.259 3.732 ( -5.238 16.365 1.628) 17.259 4.064 ( 3.572 19.932 -2.823) 20.446 4.064 ( 3.572 19.932 2.823) 20.446 4.175 ( 0.686 16.881 -6.317) 18.037 4.175 ( 0.686 16.881 6.317) 18.037 4.257 ( 3.745 22.206 -3.720) 22.824 4.257 ( 3.745 22.206 3.720) 22.824 4.408 ( -6.599 24.447 -5.904) 26.001 4.408 ( -6.599 24.447 5.904) 26.001 4.839 ( 1.762 -0.410 -1.315) 2.236 4.839 ( 1.762 -0.410 1.315) 2.236 4.965 ( -4.627 1.797 -1.206) 5.109 4.965 ( -4.627 1.797 1.206) 5.109 5.334 ( 1.956 -4.705 -2.067) 5.498 5.334 ( 1.956 -4.705 2.067) 5.498 5.732 ( -1.548 0.267 -3.214) 3.578 5.732 ( -1.548 0.267 3.214) 3.578 6.071 ( 7.538 0.854 -3.698) 8.439 6.071 ( 7.538 0.854 3.698) 8.439 6.254 ( -4.449 -6.818 -5.128) 9.622 6.254 ( -4.449 -6.818 5.128) 9.622 7.956 ( -1.088 -0.634 -1.063) 1.648 7.956 ( -1.088 -0.634 1.063) 1.648 8.163 ( 7.320 -3.546 -3.725) 8.946 8.163 ( 7.320 -3.546 3.725) 8.946 8.442 ( -1.140 2.489 -4.557) 5.316 8.442 ( -1.140 2.489 4.557) 5.316 8.671 ( -2.310 6.525 -0.951) 6.987 8.671 ( -2.310 6.525 0.951) 6.987 9.591 ( 4.338 7.758 -0.514) 8.903 9.591 ( 4.338 7.758 0.514) 8.903 9.644 ( -0.712 9.844 -3.367) 10.428 9.644 ( -0.712 9.844 3.367) 10.428 9.976 ( 0.304 1.763 -3.911) 4.301 9.976 ( 0.304 1.763 3.911) 4.301 10.160 ( -0.733 11.195 -1.574) 11.329 10.160 ( -0.733 11.195 1.574) 11.329 10.375 ( 9.309 -0.799 -2.386) 9.643 10.375 ( 9.309 -0.799 2.386) 9.643 10.708 ( -6.772 -1.944 -3.561) 7.895 10.708 ( -6.772 -1.944 3.561) 7.895 11.100 ( -6.316 1.783 -1.847) 6.818 11.100 ( -6.316 1.783 1.847) 6.818 11.500 ( 4.187 3.972 -1.255) 5.906 11.500 ( 4.187 3.972 1.255) 5.906 12.003 ( 1.150 1.427 -3.780) 4.201 12.003 ( 1.150 1.427 3.780) 4.201 12.192 ( -9.133 2.200 -4.681) 10.496 12.192 ( -9.133 2.200 4.681) 10.496 12.783 ( 1.157 0.845 -3.079) 3.396 12.783 ( 1.157 0.845 3.079) 3.396 13.151 ( 0.707 1.543 -2.143) 2.734 13.151 ( 0.707 1.543 2.143) 2.734 13.324 ( -1.054 -13.966 -2.364) 14.204 13.324 ( -1.054 -13.966 2.364) 14.204 13.595 ( -0.141 -15.089 -0.657) 15.104 13.595 ( -0.141 -15.089 0.657) 15.104 15.980 ( 1.899 -2.636 -0.803) 3.346 15.980 ( 1.899 -2.636 0.803) 3.346 16.347 ( 1.408 -0.788 -2.276) 2.790 16.347 ( 1.408 -0.788 2.276) 2.790 17.015 ( -1.596 -16.468 -1.414) 16.605 17.015 ( -1.596 -16.468 1.414) 16.605 17.273 ( -0.451 -19.192 -0.538) 19.205 17.273 ( -0.451 -19.192 0.538) 19.205 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.000 12.815 -2.841) 13.126 1.978 ( 0.000 12.815 2.841) 13.126 2.384 ( 0.000 12.189 -4.619) 13.035 2.384 ( 0.000 12.189 4.619) 13.035 2.562 ( 0.000 5.844 -0.677) 5.883 2.562 ( 0.000 5.844 0.677) 5.883 2.641 ( 0.000 1.612 -1.807) 2.421 2.641 ( 0.000 1.612 1.807) 2.421 2.841 ( 0.000 10.659 -2.724) 11.002 2.841 ( 0.000 10.659 2.724) 11.002 3.372 ( 0.000 0.548 -2.461) 2.521 3.372 ( 0.000 0.548 2.461) 2.521 3.649 ( 0.000 3.354 -2.245) 4.037 3.649 ( 0.000 3.354 2.245) 4.037 3.857 ( 0.000 13.950 -5.211) 14.891 3.857 ( 0.000 13.950 5.211) 14.891 3.998 ( 0.000 3.465 -6.006) 6.934 3.998 ( 0.000 3.465 6.006) 6.934 4.079 ( 0.000 2.592 -4.692) 5.360 4.079 ( 0.000 2.592 4.692) 5.360 4.218 ( 0.000 18.424 -2.629) 18.610 4.218 ( 0.000 18.424 2.629) 18.610 4.511 ( 0.000 22.823 -11.332) 25.481 4.511 ( 0.000 22.823 11.332) 25.481 4.636 ( 0.000 15.784 -10.011) 18.691 4.636 ( 0.000 15.784 10.011) 18.691 4.823 ( 0.000 11.367 -2.702) 11.684 4.823 ( 0.000 11.367 2.702) 11.684 4.918 ( 0.000 8.090 -2.819) 8.567 4.918 ( 0.000 8.090 2.819) 8.567 5.037 ( 0.000 13.946 -1.367) 14.013 5.037 ( 0.000 13.946 1.367) 14.013 5.549 ( 0.000 9.091 -2.695) 9.482 5.549 ( 0.000 9.091 2.695) 9.482 5.718 ( 0.000 -1.666 -3.874) 4.217 5.718 ( 0.000 -1.666 3.874) 4.217 5.903 ( 0.000 8.834 -4.504) 9.916 5.903 ( 0.000 8.834 4.504) 9.916 6.292 ( 0.000 -0.242 -2.948) 2.958 6.292 ( 0.000 -0.242 2.948) 2.958 7.841 ( 0.000 0.211 -3.776) 3.782 7.841 ( 0.000 0.211 3.776) 3.782 8.053 ( 0.000 -0.597 -7.704) 7.727 8.053 ( 0.000 -0.597 7.704) 7.727 8.382 ( 0.000 3.117 -2.117) 3.768 8.382 ( 0.000 3.117 2.117) 3.768 8.872 ( 0.000 0.541 -1.508) 1.602 8.872 ( 0.000 0.541 1.508) 1.602 9.559 ( 0.000 -0.016 -4.182) 4.182 9.559 ( 0.000 -0.016 4.182) 4.182 9.774 ( 0.000 1.534 -12.707) 12.799 9.774 ( 0.000 1.534 12.707) 12.799 9.819 ( 0.000 -3.508 -5.755) 6.739 9.819 ( 0.000 -3.508 5.755) 6.739 10.054 ( 0.000 -0.747 -1.226) 1.436 10.054 ( 0.000 -0.747 1.226) 1.436 10.485 ( 0.000 11.353 -5.252) 12.509 10.485 ( 0.000 11.353 5.252) 12.509 10.974 ( 0.000 5.874 -6.622) 8.852 10.974 ( 0.000 5.874 6.622) 8.852 11.374 ( 0.000 10.141 -2.614) 10.472 11.374 ( 0.000 10.141 2.614) 10.472 11.655 ( 0.000 3.193 -0.641) 3.257 11.655 ( 0.000 3.193 0.641) 3.257 12.037 ( 0.000 5.276 -0.393) 5.291 12.037 ( 0.000 5.276 0.393) 5.291 12.196 ( 0.000 -16.679 -10.451) 19.683 12.196 ( 0.000 -16.679 10.451) 19.683 12.733 ( 0.000 0.249 -0.403) 0.474 12.733 ( 0.000 0.249 0.403) 0.474 13.062 ( 0.000 -10.195 -5.800) 11.729 13.062 ( 0.000 -10.195 5.800) 11.729 13.231 ( 0.000 -11.478 -0.136) 11.479 13.231 ( 0.000 -11.478 0.136) 11.479 13.387 ( 0.000 -0.713 -3.263) 3.340 13.387 ( 0.000 -0.713 3.263) 3.340 15.851 ( 0.000 -2.688 -3.747) 4.612 15.851 ( 0.000 -2.688 3.747) 4.612 16.272 ( 0.000 -0.576 -5.805) 5.833 16.272 ( 0.000 -0.576 5.805) 5.833 16.775 ( 0.000 -13.285 -1.327) 13.351 16.775 ( 0.000 -13.285 1.327) 13.351 16.893 ( 0.000 -19.909 -3.502) 20.215 16.893 ( 0.000 -19.909 3.502) 20.215 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.831 11.886 -2.034) 12.653 2.017 ( 3.831 11.886 2.034) 12.653 2.362 ( -1.978 11.129 -5.096) 12.399 2.362 ( -1.978 11.129 5.096) 12.399 2.570 ( -0.956 6.067 -3.266) 6.956 2.570 ( -0.956 6.067 3.266) 6.956 2.659 ( 2.739 4.377 -3.922) 6.485 2.659 ( 2.739 4.377 3.922) 6.485 2.883 ( 4.084 8.523 -3.707) 10.152 2.883 ( 4.084 8.523 3.707) 10.152 3.334 ( -2.583 0.738 -5.946) 6.524 3.334 ( -2.583 0.738 5.946) 6.524 3.584 ( -6.034 2.552 -3.926) 7.637 3.584 ( -6.034 2.552 3.926) 7.637 3.819 ( -3.817 9.226 -5.625) 11.460 3.819 ( -3.817 9.226 5.625) 11.460 3.960 ( -1.777 7.131 -7.260) 10.330 3.960 ( -1.777 7.131 7.260) 10.330 4.127 ( 1.260 13.985 -5.206) 14.975 4.127 ( 1.260 13.985 5.206) 14.975 4.237 ( 3.403 10.098 -2.125) 10.865 4.237 ( 3.403 10.098 2.125) 10.865 4.513 ( -0.395 17.561 -9.041) 19.756 4.513 ( -0.395 17.561 9.041) 19.756 4.662 ( 2.289 19.186 -7.405) 20.692 4.662 ( 2.289 19.186 7.405) 20.692 4.837 ( 0.783 10.074 -3.489) 10.690 4.837 ( 0.783 10.074 3.489) 10.690 4.876 ( -0.959 13.019 -2.784) 13.348 4.876 ( -0.959 13.019 2.784) 13.348 5.093 ( 2.117 8.554 -3.478) 9.474 5.093 ( 2.117 8.554 3.478) 9.474 5.447 ( -5.462 13.324 -6.029) 15.611 5.447 ( -5.462 13.324 6.029) 15.611 5.786 ( 1.991 -0.263 -4.043) 4.514 5.786 ( 1.991 -0.263 4.043) 4.514 5.936 ( 4.400 6.009 -2.430) 7.834 5.936 ( 4.400 6.009 2.430) 7.834 6.268 ( -2.380 -0.217 -3.237) 4.023 6.268 ( -2.380 -0.217 3.237) 4.023 7.903 ( 4.948 -0.903 -3.804) 6.306 7.903 ( 4.948 -0.903 3.804) 6.306 8.037 ( -0.206 0.638 -7.069) 7.100 8.037 ( -0.206 0.638 7.069) 7.100 8.444 ( 4.425 2.094 -4.285) 6.506 8.444 ( 4.425 2.094 4.285) 6.506 8.821 ( -4.332 1.208 -0.096) 4.498 8.821 ( -4.332 1.208 0.096) 4.498 9.563 ( 1.979 0.632 -4.561) 5.012 9.563 ( 1.979 0.632 4.561) 5.012 9.761 ( -0.735 0.023 -4.795) 4.851 9.761 ( -0.735 0.023 4.795) 4.851 9.937 ( 7.534 -3.633 -7.463) 11.209 9.937 ( 7.534 -3.633 7.463) 11.209 10.087 ( 4.836 1.181 -2.043) 5.382 10.087 ( 4.836 1.181 2.043) 5.382 10.478 ( -0.811 10.942 -5.500) 12.274 10.478 ( -0.811 10.942 5.500) 12.274 10.877 ( -8.911 2.782 -5.356) 10.763 10.877 ( -8.911 2.782 5.356) 10.763 11.333 ( -5.544 6.660 -4.227) 9.641 11.333 ( -5.544 6.660 4.227) 9.641 11.593 ( -3.236 5.107 -0.974) 6.124 11.593 ( -3.236 5.107 0.974) 6.124 12.043 ( 0.972 5.495 -4.046) 6.892 12.043 ( 0.972 5.495 4.046) 6.892 12.235 ( 2.359 -10.820 -8.872) 14.190 12.235 ( 2.359 -10.820 8.872) 14.190 12.783 ( 3.696 1.236 -1.960) 4.362 12.783 ( 3.696 1.236 1.960) 4.362 12.996 ( -4.497 -10.804 -2.249) 11.917 12.996 ( -4.497 -10.804 2.249) 11.917 13.208 ( -2.588 -10.451 -1.978) 10.947 13.208 ( -2.588 -10.451 1.978) 10.947 13.378 ( -0.887 -3.753 -2.397) 4.540 13.378 ( -0.887 -3.753 2.397) 4.540 15.875 ( 2.095 -2.944 -3.018) 4.708 15.875 ( 2.095 -2.944 3.018) 4.708 16.288 ( 1.514 -1.369 -5.126) 5.517 16.288 ( 1.514 -1.369 5.126) 5.517 16.763 ( -1.587 -12.959 -1.255) 13.116 16.763 ( -1.587 -12.959 1.255) 13.116 16.893 ( 0.416 -19.102 -2.219) 19.235 16.893 ( 0.416 -19.102 2.219) 19.235 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 5.765 9.152 -0.970) 10.860 2.121 ( 5.765 9.152 0.970) 10.860 2.289 ( -5.100 8.249 -2.223) 9.950 2.289 ( -5.100 8.249 2.223) 9.950 2.561 ( 0.455 11.152 -2.741) 11.493 2.561 ( 0.455 11.152 2.741) 11.493 2.702 ( 0.903 7.775 -3.649) 8.635 2.702 ( 0.903 7.775 3.649) 8.635 2.972 ( 3.301 3.480 -2.341) 5.337 2.972 ( 3.301 3.480 2.341) 5.337 3.305 ( -0.464 0.684 -3.609) 3.703 3.305 ( -0.464 0.684 3.609) 3.703 3.474 ( -3.013 1.961 -3.921) 5.319 3.474 ( -3.013 1.961 3.921) 5.319 3.713 ( -4.935 4.135 -4.475) 7.841 3.713 ( -4.935 4.135 4.475) 7.841 3.955 ( 0.589 13.885 -2.650) 14.148 3.955 ( 0.589 13.885 2.650) 14.148 4.112 ( -1.242 19.941 -2.446) 20.129 4.112 ( -1.242 19.941 2.446) 20.129 4.339 ( 5.134 5.206 -5.913) 9.403 4.339 ( 5.134 5.206 5.913) 9.403 4.468 ( -3.687 11.406 -6.268) 13.527 4.468 ( -3.687 11.406 6.268) 13.527 4.730 ( 4.155 19.792 -4.098) 20.635 4.730 ( 4.155 19.792 4.098) 20.635 4.828 ( -1.859 17.971 -2.025) 18.180 4.828 ( -1.859 17.971 2.025) 18.180 4.907 ( 2.611 9.782 -4.425) 11.050 4.907 ( 2.611 9.782 4.425) 11.050 5.065 ( -3.399 7.315 -2.027) 8.317 5.065 ( -3.399 7.315 2.027) 8.317 5.405 ( 0.299 15.947 -2.416) 16.132 5.405 ( 0.299 15.947 2.416) 16.132 5.782 ( -0.852 3.983 -1.956) 4.518 5.782 ( -0.852 3.983 1.956) 4.518 6.053 ( 5.619 -1.019 -0.715) 5.756 6.053 ( 5.619 -1.019 0.715) 5.756 6.201 ( -3.890 1.184 -2.385) 4.714 6.201 ( -3.890 1.184 2.385) 4.714 7.950 ( 0.060 -0.021 -0.462) 0.467 7.950 ( 0.060 -0.021 0.462) 0.467 8.107 ( 5.221 -1.435 -3.467) 6.430 8.107 ( 5.221 -1.435 3.467) 6.430 8.479 ( -1.338 1.944 -5.416) 5.908 8.479 ( -1.338 1.944 5.416) 5.908 8.755 ( -1.259 2.551 -2.461) 3.761 8.755 ( -1.259 2.551 2.461) 3.761 9.652 ( 5.884 -0.198 -4.167) 7.213 9.652 ( 5.884 -0.198 4.167) 7.213 9.741 ( -2.113 -0.001 -4.835) 5.277 9.741 ( -2.113 -0.001 4.835) 5.277 9.987 ( -0.449 -0.304 -2.090) 2.159 9.987 ( -0.449 -0.304 2.090) 2.159 10.296 ( 11.422 2.085 -7.158) 13.640 10.296 ( 11.422 2.085 7.158) 13.640 10.458 ( 0.010 7.777 -6.190) 9.940 10.458 ( 0.010 7.777 6.190) 9.940 10.671 ( -10.132 -1.540 -3.116) 10.712 10.671 ( -10.132 -1.540 3.116) 10.712 11.162 ( -7.693 4.619 -2.624) 9.349 11.162 ( -7.693 4.619 2.624) 9.349 11.592 ( 1.501 4.337 -0.292) 4.598 11.592 ( 1.501 4.337 0.292) 4.598 12.082 ( 2.438 5.445 -4.140) 7.261 12.082 ( 2.438 5.445 4.140) 7.261 12.237 ( -1.896 1.293 -3.790) 4.430 12.237 ( -1.896 1.293 3.790) 4.430 12.806 ( -1.005 0.576 -1.252) 1.706 12.806 ( -1.005 0.576 1.252) 1.706 12.992 ( 3.821 -13.126 -1.223) 13.726 12.992 ( 3.821 -13.126 1.223) 13.726 13.132 ( -4.393 -10.166 -2.650) 11.387 13.132 ( -4.393 -10.166 2.650) 11.387 13.360 ( -0.668 -6.017 -0.982) 6.133 13.360 ( -0.668 -6.017 0.982) 6.133 15.914 ( 1.309 -3.665 -1.156) 4.060 15.914 ( 1.309 -3.665 1.156) 4.060 16.322 ( 1.282 -2.114 -2.310) 3.384 16.322 ( 1.282 -2.114 2.310) 3.384 16.720 ( -1.804 -13.138 -0.825) 13.287 16.720 ( -1.804 -13.138 0.825) 13.287 16.909 ( 0.669 -17.338 -0.450) 17.357 16.909 ( 0.669 -17.338 0.450) 17.357 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 10.737 -2.181) 10.956 2.209 ( 0.000 10.737 2.181) 10.956 2.511 ( 0.000 3.304 -0.657) 3.369 2.511 ( 0.000 3.304 0.657) 3.369 2.633 ( 0.000 0.999 -2.947) 3.112 2.633 ( 0.000 0.999 2.947) 3.112 2.777 ( 0.000 10.002 -0.849) 10.038 2.777 ( 0.000 10.002 0.849) 10.038 3.065 ( 0.000 11.691 -4.235) 12.434 3.065 ( 0.000 11.691 4.235) 12.434 3.364 ( 0.000 -0.369 -0.332) 0.496 3.364 ( 0.000 -0.369 0.332) 0.496 3.661 ( 0.000 -0.976 -1.564) 1.844 3.661 ( 0.000 -0.976 1.564) 1.844 3.951 ( 0.000 -2.982 -4.664) 5.536 3.951 ( 0.000 -2.982 4.664) 5.536 3.978 ( 0.000 -4.400 -3.389) 5.554 3.978 ( 0.000 -4.400 3.389) 5.554 4.103 ( 0.000 1.036 -0.679) 1.239 4.103 ( 0.000 1.036 0.679) 1.239 4.487 ( 0.000 6.120 -3.801) 7.204 4.487 ( 0.000 6.120 3.801) 7.204 4.734 ( 0.000 8.283 -6.092) 10.282 4.734 ( 0.000 8.283 6.092) 10.282 4.850 ( 0.000 0.427 -1.908) 1.955 4.850 ( 0.000 0.427 1.908) 1.955 5.026 ( 0.000 16.390 -2.867) 16.639 5.026 ( 0.000 16.390 2.867) 16.639 5.263 ( 0.000 18.693 -0.127) 18.694 5.263 ( 0.000 18.693 0.127) 18.694 5.394 ( 0.000 19.769 -3.236) 20.032 5.394 ( 0.000 19.769 3.236) 20.032 5.640 ( 0.000 0.688 -4.909) 4.957 5.640 ( 0.000 0.688 4.909) 4.957 5.878 ( 0.000 17.506 -1.142) 17.544 5.878 ( 0.000 17.506 1.142) 17.544 6.118 ( 0.000 11.308 -4.132) 12.040 6.118 ( 0.000 11.308 4.132) 12.040 6.316 ( 0.000 2.594 -3.930) 4.709 6.316 ( 0.000 2.594 3.930) 4.709 7.888 ( 0.000 4.247 -3.440) 5.465 7.888 ( 0.000 4.247 3.440) 5.465 8.060 ( 0.000 1.810 -6.877) 7.111 8.060 ( 0.000 1.810 6.877) 7.111 8.448 ( 0.000 3.329 -2.181) 3.980 8.448 ( 0.000 3.329 2.181) 3.980 8.835 ( 0.000 -3.569 -0.982) 3.701 8.835 ( 0.000 -3.569 0.982) 3.701 9.577 ( 0.000 0.932 -8.309) 8.361 9.577 ( 0.000 0.932 8.309) 8.361 9.706 ( 0.000 -6.480 -3.668) 7.446 9.706 ( 0.000 -6.480 3.668) 7.446 9.742 ( 0.000 -1.074 -8.007) 8.078 9.742 ( 0.000 -1.074 8.007) 8.078 10.129 ( 0.000 6.181 -2.348) 6.612 10.129 ( 0.000 6.181 2.348) 6.612 10.670 ( 0.000 6.947 -7.452) 10.188 10.670 ( 0.000 6.947 7.452) 10.188 11.037 ( 0.000 -0.345 -6.039) 6.049 11.037 ( 0.000 -0.345 6.039) 6.049 11.507 ( 0.000 3.967 -0.322) 3.981 11.507 ( 0.000 3.967 0.322) 3.981 11.683 ( 0.000 -4.244 -6.620) 7.863 11.683 ( 0.000 -4.244 6.620) 7.863 11.843 ( 0.000 -13.160 -3.141) 13.530 11.843 ( 0.000 -13.160 3.141) 13.530 12.196 ( 0.000 8.469 -0.073) 8.470 12.196 ( 0.000 8.469 0.073) 8.470 12.637 ( 0.000 -14.567 -0.364) 14.571 12.637 ( 0.000 -14.567 0.364) 14.571 12.851 ( 0.000 -5.050 -0.636) 5.090 12.851 ( 0.000 -5.050 0.636) 5.090 13.112 ( 0.000 -1.396 -1.841) 2.310 13.112 ( 0.000 -1.396 1.841) 2.310 13.405 ( 0.000 1.349 -4.289) 4.497 13.405 ( 0.000 1.349 4.289) 4.497 15.810 ( 0.000 -1.306 -4.786) 4.961 15.810 ( 0.000 -1.306 4.786) 4.961 16.244 ( 0.000 -2.365 -6.140) 6.580 16.244 ( 0.000 -2.365 6.140) 6.580 16.498 ( 0.000 -15.636 -0.036) 15.636 16.498 ( 0.000 -15.636 0.036) 15.636 16.626 ( 0.000 -6.399 -4.628) 7.897 16.626 ( 0.000 -6.399 4.628) 7.897 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 2.246 10.085 -1.305) 10.414 2.232 ( 2.246 10.085 1.305) 10.414 2.503 ( -2.048 4.226 -1.219) 4.852 2.503 ( -2.048 4.226 1.219) 4.852 2.641 ( 1.895 1.819 -3.609) 4.464 2.641 ( 1.895 1.819 3.609) 4.464 2.795 ( 1.545 7.537 -2.726) 8.163 2.795 ( 1.545 7.537 2.726) 8.163 3.085 ( 1.537 11.542 -3.917) 12.284 3.085 ( 1.537 11.542 3.917) 12.284 3.332 ( -1.838 0.077 -5.277) 5.589 3.332 ( -1.838 0.077 5.277) 5.589 3.613 ( -4.868 1.008 -1.663) 5.242 3.613 ( -4.868 1.008 1.663) 5.242 3.835 ( -6.756 -2.894 -4.922) 8.846 3.835 ( -6.756 -2.894 4.922) 8.846 4.050 ( 4.361 -2.410 -6.120) 7.892 4.050 ( 4.361 -2.410 6.120) 7.892 4.174 ( 4.632 -1.320 -3.284) 5.830 4.174 ( 4.632 -1.320 3.284) 5.830 4.470 ( -1.191 6.762 -2.577) 7.334 4.470 ( -1.191 6.762 2.577) 7.334 4.717 ( -2.689 7.746 -4.543) 9.374 4.717 ( -2.689 7.746 4.543) 9.374 4.854 ( 1.420 2.466 -2.791) 3.986 4.854 ( 1.420 2.466 2.791) 3.986 5.023 ( -0.278 11.905 -3.144) 12.316 5.023 ( -0.278 11.905 3.144) 12.316 5.267 ( 0.560 20.238 -2.421) 20.390 5.267 ( 0.560 20.238 2.421) 20.390 5.377 ( -1.396 16.824 -3.489) 17.239 5.377 ( -1.396 16.824 3.489) 17.239 5.696 ( 4.695 5.900 -3.889) 8.484 5.696 ( 4.695 5.900 3.889) 8.484 5.882 ( 0.039 16.122 -2.602) 16.331 5.882 ( 0.039 16.122 2.602) 16.331 6.124 ( 0.785 10.841 -3.988) 11.578 6.124 ( 0.785 10.841 3.988) 11.578 6.293 ( -2.137 2.747 -3.672) 5.060 6.293 ( -2.137 2.747 3.672) 5.060 7.922 ( 2.686 2.589 -2.993) 4.783 7.922 ( 2.686 2.589 2.993) 4.783 8.069 ( 1.271 2.829 -5.817) 6.592 8.069 ( 1.271 2.829 5.817) 6.592 8.490 ( 3.349 2.835 -3.915) 5.881 8.490 ( 3.349 2.835 3.915) 5.881 8.817 ( -1.503 -1.314 -0.914) 2.196 8.817 ( -1.503 -1.314 0.914) 2.196 9.584 ( 0.417 1.845 -7.370) 7.609 9.584 ( 0.417 1.845 7.370) 7.609 9.705 ( -0.056 -3.989 -2.854) 4.905 9.705 ( -0.056 -3.989 2.854) 4.905 9.813 ( 7.151 -6.829 -8.569) 13.084 9.813 ( 7.151 -6.829 8.569) 13.084 10.180 ( 4.792 6.104 -2.416) 8.128 10.180 ( 4.792 6.104 2.416) 8.128 10.633 ( -4.064 4.016 -7.383) 9.335 10.633 ( -4.064 4.016 7.383) 9.335 10.902 ( -10.873 0.069 -4.992) 11.965 10.902 ( -10.873 0.069 4.992) 11.965 11.439 ( -6.559 4.838 -2.364) 8.486 11.439 ( -6.559 4.838 2.364) 8.486 11.652 ( -2.920 -0.871 -2.934) 4.230 11.652 ( -2.920 -0.871 2.934) 4.230 11.937 ( 8.406 -14.211 -4.815) 17.199 11.937 ( 8.406 -14.211 4.815) 17.199 12.212 ( 1.392 6.569 -5.165) 8.472 12.212 ( 1.392 6.569 5.165) 8.472 12.679 ( 2.952 -14.896 -3.660) 15.620 12.679 ( 2.952 -14.896 3.660) 15.620 12.844 ( -0.140 -0.822 -3.176) 3.284 12.844 ( -0.140 -0.822 3.176) 3.284 13.076 ( -3.632 -1.501 -2.957) 4.918 13.076 ( -3.632 -1.501 2.957) 4.918 13.358 ( -3.872 -0.236 -4.887) 6.239 13.358 ( -3.872 -0.236 4.887) 6.239 15.828 ( 1.460 -1.701 -3.671) 4.301 15.828 ( 1.460 -1.701 3.671) 4.301 16.240 ( -0.060 -3.805 -4.612) 5.979 16.240 ( -0.060 -3.805 4.612) 5.979 16.518 ( 1.000 -13.407 -3.457) 13.882 16.518 ( 1.000 -13.407 3.457) 13.882 16.622 ( 0.087 -6.780 -4.954) 8.398 16.622 ( 0.087 -6.780 4.954) 8.398 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 3.220 8.341 -0.214) 8.943 2.292 ( 3.220 8.341 0.214) 8.943 2.428 ( -4.070 6.035 -0.210) 7.282 2.428 ( -4.070 6.035 0.210) 7.282 2.703 ( 2.826 3.039 -3.497) 5.427 2.703 ( 2.826 3.039 3.497) 5.427 2.824 ( 0.911 4.070 -3.698) 5.574 2.824 ( 0.911 4.070 3.698) 5.574 3.102 ( 0.120 9.825 -2.006) 10.029 3.102 ( 0.120 9.825 2.006) 10.029 3.323 ( 0.320 2.140 -3.373) 4.008 3.323 ( 0.320 2.140 3.373) 4.008 3.518 ( -2.634 2.777 -2.019) 4.327 3.518 ( -2.634 2.777 2.019) 4.327 3.714 ( -4.477 -1.731 -3.472) 5.924 3.714 ( -4.477 -1.731 3.472) 5.924 4.125 ( 2.306 1.506 -5.353) 6.021 4.125 ( 2.306 1.506 5.353) 6.021 4.245 ( 1.996 -5.821 -5.772) 8.437 4.245 ( 1.996 -5.821 5.772) 8.437 4.463 ( 0.623 8.313 -1.128) 8.413 4.463 ( 0.623 8.313 1.128) 8.413 4.636 ( -3.842 6.940 -1.213) 8.025 4.636 ( -3.842 6.940 1.213) 8.025 4.902 ( 2.287 4.503 -2.933) 5.840 4.902 ( 2.287 4.503 2.933) 5.840 5.014 ( -0.585 6.558 -2.998) 7.234 5.014 ( -0.585 6.558 2.998) 7.234 5.288 ( 1.368 19.796 -3.052) 20.077 5.288 ( 1.368 19.796 3.052) 20.077 5.343 ( -1.783 17.583 -3.981) 18.116 5.343 ( -1.783 17.583 3.981) 18.116 5.794 ( 4.520 11.708 -3.627) 13.063 5.794 ( 4.520 11.708 3.627) 13.063 5.863 ( -2.174 13.520 -3.536) 14.143 5.863 ( -2.174 13.520 3.536) 14.143 6.155 ( 2.035 10.044 -3.117) 10.712 6.155 ( 2.035 10.044 3.117) 10.712 6.240 ( -2.658 2.695 -2.832) 4.728 6.240 ( -2.658 2.695 2.832) 4.728 7.958 ( 0.681 0.965 -0.690) 1.368 7.958 ( 0.681 0.965 0.690) 1.368 8.117 ( 2.482 2.124 -2.280) 3.984 8.117 ( 2.482 2.124 2.280) 3.984 8.539 ( 1.100 4.622 -4.448) 6.508 8.539 ( 1.100 4.622 4.448) 6.508 8.788 ( -1.052 1.243 -2.764) 3.208 8.788 ( -1.052 1.243 2.764) 3.208 9.614 ( 2.191 -2.240 -4.093) 5.155 9.614 ( 2.191 -2.240 4.093) 5.155 9.714 ( 0.646 -2.032 -3.067) 3.735 9.714 ( 0.646 -2.032 3.067) 3.735 9.934 ( 2.805 -5.331 -3.986) 7.223 9.934 ( 2.805 -5.331 3.986) 7.223 10.311 ( 6.431 -1.283 -3.504) 7.435 10.311 ( 6.431 -1.283 3.504) 7.435 10.539 ( -1.561 -0.429 -3.978) 4.295 10.539 ( -1.561 -0.429 3.978) 4.295 10.688 ( -10.136 5.034 -3.889) 11.966 10.688 ( -10.136 5.034 3.889) 11.966 11.283 ( -6.012 7.717 -1.691) 9.928 11.283 ( -6.012 7.717 1.691) 9.928 11.627 ( -0.031 -1.783 -0.930) 2.011 11.627 ( -0.031 -1.783 0.930) 2.011 12.091 ( 5.372 -7.662 -4.741) 10.491 12.091 ( 5.372 -7.662 4.741) 10.491 12.231 ( 0.061 -2.030 -4.814) 5.225 12.231 ( 0.061 -2.030 4.814) 5.225 12.713 ( 0.476 -6.881 -3.380) 7.681 12.713 ( 0.476 -6.881 3.380) 7.681 12.875 ( 3.308 -0.866 -4.524) 5.671 12.875 ( 3.308 -0.866 4.524) 5.671 12.975 ( -5.589 -1.600 -4.666) 7.455 12.975 ( -5.589 -1.600 4.666) 7.455 13.293 ( -1.855 -3.039 -2.551) 4.380 13.293 ( -1.855 -3.039 2.551) 4.380 15.852 ( 0.748 -2.413 -1.283) 2.833 15.852 ( 0.748 -2.413 1.283) 2.833 16.247 ( 0.535 -5.937 -1.669) 6.190 16.247 ( 0.535 -5.937 1.669) 6.190 16.515 ( -0.675 -7.920 -1.709) 8.131 16.515 ( -0.675 -7.920 1.709) 8.131 16.637 ( 0.866 -9.417 -1.872) 9.640 16.637 ( 0.866 -9.417 1.872) 9.640 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 6.966 -0.654) 6.997 2.386 ( 0.000 6.966 0.654) 6.997 2.573 ( 0.000 3.476 -2.355) 4.199 2.573 ( 0.000 3.476 2.355) 4.199 2.651 ( 0.000 1.343 -1.646) 2.124 2.651 ( 0.000 1.343 1.646) 2.124 2.900 ( 0.000 1.385 -1.783) 2.257 2.900 ( 0.000 1.385 1.783) 2.257 3.278 ( 0.000 9.935 -4.500) 10.907 3.278 ( 0.000 9.935 4.500) 10.907 3.401 ( 0.000 4.965 -3.151) 5.880 3.401 ( 0.000 4.965 3.151) 5.880 3.633 ( 0.000 -1.662 -1.433) 2.195 3.633 ( 0.000 -1.662 1.433) 2.195 3.844 ( 0.000 -6.808 -5.297) 8.626 3.844 ( 0.000 -6.808 5.297) 8.626 3.868 ( 0.000 -6.298 -3.278) 7.100 3.868 ( 0.000 -6.298 3.278) 7.100 4.081 ( 0.000 -2.778 -0.085) 2.779 4.081 ( 0.000 -2.778 0.085) 2.779 4.518 ( 0.000 0.160 -0.846) 0.861 4.518 ( 0.000 0.160 0.846) 0.861 4.801 ( 0.000 -4.895 -2.165) 5.352 4.801 ( 0.000 -4.895 2.165) 5.352 4.917 ( 0.000 8.721 -1.523) 8.853 4.917 ( 0.000 8.721 1.523) 8.853 5.276 ( 0.000 9.793 -3.535) 10.412 5.276 ( 0.000 9.793 3.535) 10.412 5.540 ( 0.000 1.248 -3.733) 3.936 5.540 ( 0.000 1.248 3.733) 3.936 5.617 ( 0.000 14.137 -0.762) 14.158 5.617 ( 0.000 14.137 0.762) 14.158 5.854 ( 0.000 15.867 -1.711) 15.959 5.854 ( 0.000 15.867 1.711) 15.959 6.191 ( 0.000 9.657 -1.912) 9.845 6.191 ( 0.000 9.657 1.912) 9.845 6.250 ( 0.000 5.368 -0.185) 5.372 6.250 ( 0.000 5.368 0.185) 5.372 6.435 ( 0.000 8.606 -0.200) 8.608 6.435 ( 0.000 8.606 0.200) 8.608 7.983 ( 0.000 4.995 -2.914) 5.783 7.983 ( 0.000 4.995 2.914) 5.783 8.126 ( 0.000 4.327 -5.410) 6.928 8.126 ( 0.000 4.327 5.410) 6.928 8.501 ( 0.000 2.015 -2.596) 3.286 8.501 ( 0.000 2.015 2.596) 3.286 8.758 ( 0.000 -3.869 -0.455) 3.895 8.758 ( 0.000 -3.869 0.455) 3.895 9.518 ( 0.000 -5.339 -4.109) 6.737 9.518 ( 0.000 -5.339 4.109) 6.737 9.619 ( 0.000 -2.742 -3.743) 4.640 9.619 ( 0.000 -2.742 3.743) 4.640 9.844 ( 0.000 10.924 -8.392) 13.775 9.844 ( 0.000 10.924 8.392) 13.775 10.260 ( 0.000 7.145 -3.659) 8.028 10.260 ( 0.000 7.145 3.659) 8.028 10.731 ( 0.000 -1.823 -12.104) 12.241 10.731 ( 0.000 -1.823 12.104) 12.241 10.948 ( 0.000 -8.164 -5.999) 10.131 10.948 ( 0.000 -8.164 5.999) 10.131 11.418 ( 0.000 -11.390 -3.553) 11.931 11.418 ( 0.000 -11.390 3.553) 11.931 11.575 ( 0.000 -0.764 -1.019) 1.273 11.575 ( 0.000 -0.764 1.019) 1.273 11.778 ( 0.000 0.790 -9.780) 9.812 11.778 ( 0.000 0.790 9.780) 9.812 12.261 ( 0.000 -11.785 -7.676) 14.064 12.261 ( 0.000 -11.785 7.676) 14.064 12.376 ( 0.000 1.066 -0.408) 1.142 12.376 ( 0.000 1.066 0.408) 1.142 12.799 ( 0.000 -2.163 -8.732) 8.996 12.799 ( 0.000 -2.163 8.732) 8.996 13.143 ( 0.000 3.671 -1.930) 4.147 13.143 ( 0.000 3.671 1.930) 4.147 13.420 ( 0.000 -0.039 -3.783) 3.783 13.420 ( 0.000 -0.039 3.783) 3.783 15.801 ( 0.000 0.354 -4.665) 4.678 15.801 ( 0.000 0.354 4.665) 4.678 16.178 ( 0.000 -5.584 -4.291) 7.042 16.178 ( 0.000 -5.584 4.291) 7.042 16.252 ( 0.000 -7.382 -1.714) 7.579 16.252 ( 0.000 -7.382 1.714) 7.579 16.564 ( 0.000 -1.087 -3.050) 3.238 16.564 ( 0.000 -1.087 3.050) 3.238 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 1.668 7.253 -0.280) 7.448 2.404 ( 1.668 7.253 0.280) 7.448 2.563 ( -1.231 2.469 -2.137) 3.490 2.563 ( -1.231 2.469 2.137) 3.490 2.671 ( 2.015 1.684 -2.656) 3.735 2.671 ( 2.015 1.684 2.656) 3.735 2.878 ( -1.810 0.287 -0.946) 2.063 2.878 ( -1.810 0.287 0.946) 2.063 3.305 ( 1.552 10.203 -4.930) 11.438 3.305 ( 1.552 10.203 4.930) 11.438 3.373 ( -0.950 4.661 -6.962) 8.432 3.373 ( -0.950 4.661 6.962) 8.432 3.635 ( -1.160 1.211 -2.203) 2.769 3.635 ( -1.160 1.211 2.203) 2.769 3.763 ( -5.125 -3.973 -1.670) 6.696 3.763 ( -5.125 -3.973 1.670) 6.696 3.928 ( 4.772 -7.680 -3.192) 9.589 3.928 ( 4.772 -7.680 3.192) 9.589 4.110 ( 1.505 -5.349 -3.500) 6.567 4.110 ( 1.505 -5.349 3.500) 6.567 4.516 ( 0.100 0.674 -2.130) 2.237 4.516 ( 0.100 0.674 2.130) 2.237 4.770 ( -3.016 -3.297 -3.407) 5.619 4.770 ( -3.016 -3.297 3.407) 5.619 4.953 ( 3.342 7.690 -0.608) 8.407 4.953 ( 3.342 7.690 0.608) 8.407 5.232 ( -3.687 9.357 -2.375) 10.334 5.232 ( -3.687 9.357 2.375) 10.334 5.544 ( -0.082 2.445 -2.326) 3.376 5.544 ( -0.082 2.445 2.326) 3.376 5.614 ( 0.342 13.651 -4.027) 14.236 5.614 ( 0.342 13.651 4.027) 14.236 5.900 ( 3.616 13.810 -1.791) 14.387 5.900 ( 3.616 13.810 1.791) 14.387 6.189 ( -0.392 8.075 -1.627) 8.247 6.189 ( -0.392 8.075 1.627) 8.247 6.260 ( 1.145 7.584 -1.141) 7.754 6.260 ( 1.145 7.584 1.141) 7.754 6.423 ( -1.128 9.059 -0.683) 9.155 6.423 ( -1.128 9.059 0.683) 9.155 7.988 ( 0.324 3.891 -1.864) 4.326 7.988 ( 0.324 3.891 1.864) 4.326 8.137 ( 1.114 3.293 -4.060) 5.345 8.137 ( 1.114 3.293 4.060) 5.345 8.557 ( 4.908 3.998 -2.606) 6.846 8.557 ( 4.908 3.998 2.606) 6.846 8.784 ( 2.362 -1.687 -0.562) 2.957 8.784 ( 2.362 -1.687 0.562) 2.957 9.562 ( 2.732 -5.828 -2.901) 7.060 9.562 ( 2.732 -5.828 2.901) 7.060 9.645 ( 2.820 -2.070 -5.198) 6.265 9.645 ( 2.820 -2.070 5.198) 6.265 9.781 ( -3.664 5.929 -5.461) 8.855 9.781 ( -3.664 5.929 5.461) 8.855 10.295 ( 0.982 4.916 -0.853) 5.086 10.295 ( 0.982 4.916 0.853) 5.086 10.609 ( -8.867 -5.231 -5.077) 11.478 10.609 ( -8.867 -5.231 5.077) 11.478 10.917 ( -2.839 1.315 -1.852) 3.636 10.917 ( -2.839 1.315 1.852) 3.636 11.451 ( 1.918 -9.497 -4.034) 10.495 11.451 ( 1.918 -9.497 4.034) 10.495 11.576 ( -3.458 0.593 -3.224) 4.765 11.576 ( -3.458 0.593 3.224) 4.765 11.751 ( 2.208 -4.728 -5.807) 7.807 11.751 ( 2.208 -4.728 5.807) 7.807 12.194 ( -4.792 -10.497 -7.798) 13.927 12.194 ( -4.792 -10.497 7.798) 13.927 12.500 ( 9.270 0.366 -3.376) 9.872 12.500 ( 9.270 0.366 3.376) 9.872 12.836 ( 3.260 -0.769 -7.738) 8.432 12.836 ( 3.260 -0.769 7.738) 8.432 13.107 ( -3.710 3.516 -1.172) 5.244 13.107 ( -3.710 3.516 1.172) 5.244 13.346 ( -6.473 -1.109 -5.252) 8.409 13.346 ( -6.473 -1.109 5.252) 8.409 15.811 ( 0.849 0.014 -3.421) 3.525 15.811 ( 0.849 0.014 3.421) 3.525 16.136 ( -2.493 -6.661 -2.170) 7.436 16.136 ( -2.493 -6.661 2.170) 7.436 16.320 ( 4.908 -5.805 -4.014) 8.596 16.320 ( 4.908 -5.805 4.014) 8.596 16.558 ( -0.748 -1.219 -3.207) 3.512 16.558 ( -0.748 -1.219 3.207) 3.512 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 1.886 7.118 -0.682) 7.395 2.444 ( 1.886 7.118 0.682) 7.395 2.526 ( -1.963 4.031 -1.330) 4.677 2.526 ( -1.963 4.031 1.330) 4.677 2.719 ( 2.105 -0.396 -3.140) 3.801 2.719 ( 2.105 -0.396 3.140) 3.801 2.842 ( -1.467 -1.895 -2.225) 3.271 2.842 ( -1.467 -1.895 2.225) 3.271 3.310 ( 0.103 10.026 -0.737) 10.054 3.310 ( 0.103 10.026 0.737) 10.054 3.394 ( 0.998 4.486 -1.374) 4.797 3.394 ( 0.998 4.486 1.374) 4.797 3.592 ( -1.401 4.901 -1.694) 5.371 3.592 ( -1.401 4.901 1.694) 5.371 3.683 ( -2.702 -0.666 -0.091) 2.785 3.683 ( -2.702 -0.666 0.091) 2.785 4.035 ( 5.108 -8.441 -8.539) 13.048 4.035 ( 5.108 -8.441 8.539) 13.048 4.108 ( -1.900 -7.656 -8.773) 11.798 4.108 ( -1.900 -7.656 8.773) 11.798 4.532 ( 1.307 0.749 -2.660) 3.057 4.532 ( 1.307 0.749 2.660) 3.057 4.696 ( -3.295 -1.206 -2.968) 4.596 4.696 ( -3.295 -1.206 2.968) 4.596 5.035 ( 4.148 7.717 -1.050) 8.824 5.035 ( 4.148 7.717 1.050) 8.824 5.151 ( -3.958 7.390 -1.222) 8.472 5.151 ( -3.958 7.390 1.222) 8.472 5.543 ( 0.113 6.439 -1.996) 6.742 5.543 ( 0.113 6.439 1.996) 6.742 5.622 ( 0.177 10.492 -2.725) 10.842 5.622 ( 0.177 10.492 2.725) 10.842 5.964 ( 2.097 10.981 -0.712) 11.202 5.964 ( 2.097 10.981 0.712) 11.202 6.175 ( -0.706 7.363 -0.634) 7.424 6.175 ( -0.706 7.363 0.634) 7.424 6.291 ( 1.371 9.431 -1.024) 9.585 6.291 ( 1.371 9.431 1.024) 9.585 6.397 ( -1.130 9.954 -0.753) 10.046 6.397 ( -1.130 9.954 0.753) 10.046 7.992 ( 0.060 2.583 -0.408) 2.616 7.992 ( 0.060 2.583 0.408) 2.616 8.161 ( 0.849 1.306 -1.372) 2.075 8.161 ( 0.849 1.306 1.372) 2.075 8.661 ( 4.285 7.605 -2.262) 9.018 8.661 ( 4.285 7.605 2.262) 9.018 8.819 ( 0.304 2.322 -1.609) 2.842 8.819 ( 0.304 2.322 1.609) 2.842 9.597 ( 1.223 -0.541 -2.448) 2.790 9.597 ( 1.223 -0.541 2.448) 2.790 9.670 ( 0.065 -1.183 -3.634) 3.822 9.670 ( 0.065 -1.183 3.634) 3.822 9.800 ( 3.161 -7.382 -3.584) 8.794 9.800 ( 3.161 -7.382 3.584) 8.794 10.206 ( -6.808 -9.751 -3.181) 12.311 10.206 ( -6.808 -9.751 3.181) 12.311 10.539 ( 1.157 3.449 -2.371) 4.342 10.539 ( 1.157 3.449 2.371) 4.342 10.844 ( -3.448 9.194 -2.464) 10.124 10.844 ( -3.448 9.194 2.464) 10.124 11.446 ( -2.955 7.346 -2.962) 8.454 11.446 ( -2.955 7.346 2.962) 8.454 11.499 ( -0.417 -9.839 -3.372) 10.410 11.499 ( -0.417 -9.839 3.372) 10.410 11.870 ( 6.530 -12.491 -4.534) 14.807 11.870 ( 6.530 -12.491 4.534) 14.807 12.085 ( -5.471 -10.939 -5.142) 13.268 12.085 ( -5.471 -10.939 5.142) 13.268 12.693 ( 8.732 3.456 -3.206) 9.923 12.693 ( 8.732 3.456 3.206) 9.923 12.892 ( 0.292 1.961 -1.523) 2.500 12.892 ( 0.292 1.961 1.523) 2.500 13.008 ( -4.248 2.902 -1.789) 5.446 13.008 ( -4.248 2.902 1.789) 5.446 13.220 ( -4.406 -4.298 -4.397) 7.565 13.220 ( -4.406 -4.298 4.397) 7.565 15.827 ( 0.510 -0.099 -1.133) 1.247 15.827 ( 0.510 -0.099 1.133) 1.247 16.099 ( -1.041 -8.288 -0.634) 8.377 16.099 ( -1.041 -8.288 0.634) 8.377 16.413 ( 3.579 -2.610 -3.137) 5.428 16.413 ( 3.579 -2.610 3.137) 5.428 16.532 ( -1.567 -2.640 -2.610) 4.029 16.532 ( -1.567 -2.640 2.610) 4.029 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 0.000 1.850 -0.436) 1.901 2.470 ( 0.000 1.850 0.436) 1.901 2.622 ( 0.000 0.892 -1.026) 1.360 2.622 ( 0.000 0.892 1.026) 1.360 2.722 ( 0.000 6.165 -2.146) 6.527 2.722 ( 0.000 6.165 2.146) 6.527 2.847 ( 0.000 -5.609 -2.827) 6.281 2.847 ( 0.000 -5.609 2.827) 6.281 3.452 ( 0.000 7.766 -2.842) 8.270 3.452 ( 0.000 7.766 2.842) 8.270 3.524 ( 0.000 4.694 -6.171) 7.753 3.524 ( 0.000 4.694 6.171) 7.753 3.597 ( 0.000 -1.017 -3.939) 4.068 3.597 ( 0.000 -1.017 3.939) 4.068 3.709 ( 0.000 -6.696 -3.752) 7.675 3.709 ( 0.000 -6.696 3.752) 7.675 3.759 ( 0.000 -3.789 -2.440) 4.507 3.759 ( 0.000 -3.789 2.440) 4.507 4.026 ( 0.000 -1.993 -0.284) 2.013 4.026 ( 0.000 -1.993 0.284) 2.013 4.544 ( 0.000 2.292 -0.484) 2.343 4.544 ( 0.000 2.292 0.484) 2.343 4.695 ( 0.000 -4.709 -1.862) 5.063 4.695 ( 0.000 -4.709 1.862) 5.063 5.037 ( 0.000 3.190 -0.269) 3.201 5.037 ( 0.000 3.190 0.269) 3.201 5.407 ( 0.000 3.490 -1.436) 3.774 5.407 ( 0.000 3.490 1.436) 3.774 5.546 ( 0.000 0.187 -1.058) 1.074 5.546 ( 0.000 0.187 1.058) 1.074 5.814 ( 0.000 5.154 -1.118) 5.274 5.814 ( 0.000 5.154 1.118) 5.274 6.093 ( 0.000 8.118 -1.271) 8.216 6.093 ( 0.000 8.118 1.271) 8.216 6.200 ( 0.000 -2.492 -2.175) 3.308 6.200 ( 0.000 -2.492 2.175) 3.308 6.414 ( 0.000 5.246 -0.562) 5.276 6.414 ( 0.000 5.246 0.562) 5.276 6.563 ( 0.000 3.546 -0.406) 3.569 6.563 ( 0.000 3.546 0.406) 3.569 8.066 ( 0.000 2.890 -1.270) 3.157 8.066 ( 0.000 2.890 1.271) 3.157 8.189 ( 0.000 1.479 -2.245) 2.688 8.189 ( 0.000 1.479 2.245) 2.688 8.530 ( 0.000 1.043 -1.469) 1.802 8.530 ( 0.000 1.043 1.469) 1.802 8.697 ( 0.000 -2.076 -0.207) 2.087 8.697 ( 0.000 -2.076 0.207) 2.087 9.441 ( 0.000 -2.034 -1.164) 2.344 9.441 ( 0.000 -2.034 1.164) 2.344 9.582 ( 0.000 -1.002 -1.297) 1.639 9.582 ( 0.000 -1.002 1.297) 1.639 10.105 ( 0.000 13.601 -9.654) 16.679 10.105 ( 0.000 13.601 9.654) 16.679 10.385 ( 0.000 3.325 -4.139) 5.309 10.385 ( 0.000 3.325 4.139) 5.309 10.579 ( 0.000 -9.858 -3.328) 10.405 10.579 ( 0.000 -9.858 3.328) 10.405 10.792 ( 0.000 -6.056 -5.624) 8.265 10.792 ( 0.000 -6.056 5.624) 8.265 11.306 ( 0.000 -0.691 -3.318) 3.389 11.306 ( 0.000 -0.691 3.318) 3.389 11.498 ( 0.000 -5.153 -0.558) 5.183 11.498 ( 0.000 -5.153 0.558) 5.183 11.852 ( 0.000 6.333 -9.737) 11.615 11.852 ( 0.000 6.333 9.737) 11.615 12.021 ( 0.000 -9.890 -8.790) 13.232 12.021 ( 0.000 -9.890 8.790) 13.232 12.436 ( 0.000 1.866 -0.435) 1.916 12.436 ( 0.000 1.866 0.435) 1.916 12.766 ( 0.000 -0.951 -3.841) 3.957 12.766 ( 0.000 -0.951 3.841) 3.957 13.213 ( 0.000 2.510 -0.383) 2.539 13.213 ( 0.000 2.510 0.383) 2.539 13.407 ( 0.000 -0.809 -1.478) 1.685 13.407 ( 0.000 -0.809 1.478) 1.685 15.816 ( 0.000 0.742 -2.369) 2.483 15.816 ( 0.000 0.742 2.369) 2.483 16.057 ( 0.000 -4.038 -0.387) 4.057 16.057 ( 0.000 -4.038 0.387) 4.057 16.197 ( 0.000 -0.727 -0.587) 0.935 16.197 ( 0.000 -0.727 0.587) 0.935 16.557 ( 0.000 -0.041 -1.099) 1.100 16.557 ( 0.000 -0.041 1.099) 1.100 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 2.603 2.193 -0.823) 3.502 2.498 ( 2.603 2.193 0.823) 3.502 2.605 ( -1.217 1.419 -1.721) 2.541 2.605 ( -1.217 1.419 1.721) 2.541 2.724 ( -0.213 4.121 -0.139) 4.129 2.724 ( -0.213 4.121 0.139) 4.129 2.824 ( -2.045 -4.727 -1.437) 5.347 2.824 ( -2.045 -4.727 1.437) 5.347 3.459 ( -0.632 5.980 -5.692) 8.280 3.459 ( -0.632 5.980 5.692) 8.280 3.491 ( -1.168 4.599 -3.857) 6.115 3.491 ( -1.168 4.599 3.857) 6.115 3.626 ( 1.532 -2.531 -1.837) 3.482 3.626 ( 1.532 -2.531 1.837) 3.482 3.713 ( 2.432 -1.039 -0.669) 2.728 3.713 ( 2.432 -1.039 0.669) 2.728 3.808 ( 2.907 -2.995 -0.586) 4.215 3.808 ( 2.907 -2.995 0.586) 4.215 3.999 ( -2.391 -4.570 -2.192) 5.605 3.999 ( -2.391 -4.570 2.192) 5.605 4.548 ( 0.249 2.502 -1.099) 2.744 4.548 ( 0.249 2.502 1.099) 2.744 4.676 ( -1.819 -4.681 -2.097) 5.442 4.676 ( -1.819 -4.681 2.097) 5.442 5.067 ( 2.921 3.179 -0.107) 4.319 5.067 ( 2.921 3.179 0.107) 4.319 5.363 ( -4.058 3.596 -0.871) 5.491 5.363 ( -4.058 3.596 0.871) 5.491 5.568 ( 2.179 0.626 -0.415) 2.305 5.568 ( 2.179 0.626 0.415) 2.305 5.787 ( -2.373 4.114 -1.821) 5.087 5.787 ( -2.373 4.114 1.821) 5.087 6.116 ( 1.823 7.364 -1.222) 7.684 6.116 ( 1.823 7.364 1.222) 7.684 6.207 ( 0.520 -1.549 -1.553) 2.254 6.207 ( 0.520 -1.549 1.553) 2.254 6.434 ( 1.839 5.353 -0.633) 5.695 6.434 ( 1.839 5.353 0.633) 5.695 6.555 ( -0.802 3.605 -0.379) 3.712 6.555 ( -0.802 3.605 0.379) 3.712 8.064 ( -0.233 3.260 -1.062) 3.437 8.064 ( -0.233 3.260 1.062) 3.437 8.163 ( -1.672 -0.603 -1.949) 2.638 8.163 ( -1.672 -0.603 1.949) 2.638 8.639 ( 9.109 3.741 -0.961) 9.894 8.639 ( 9.109 3.741 0.961) 9.894 8.754 ( 5.292 -1.580 -0.177) 5.526 8.754 ( 5.292 -1.580 0.177) 5.526 9.456 ( 1.598 -3.376 -1.236) 3.934 9.456 ( 1.598 -3.376 1.236) 3.934 9.610 ( 2.694 -1.179 -1.335) 3.230 9.610 ( 2.694 -1.179 1.335) 3.230 9.974 ( -10.132 11.636 -6.849) 16.881 9.974 ( -10.132 11.636 6.849) 16.881 10.260 ( -13.835 -9.274 -7.863) 18.418 10.260 ( -13.835 -9.274 7.863) 18.418 10.601 ( 5.120 6.236 -5.324) 9.667 10.601 ( 5.120 6.236 5.324) 9.667 10.873 ( 4.399 -6.774 -2.000) 8.321 10.873 ( 4.399 -6.774 2.000) 8.321 11.317 ( 1.045 -0.326 -2.445) 2.679 11.317 ( 1.045 -0.326 2.445) 2.679 11.508 ( 0.729 -6.900 -0.787) 6.983 11.508 ( 0.729 -6.900 0.787) 6.983 11.788 ( -4.693 7.079 -6.727) 10.835 11.788 ( -4.693 7.079 6.727) 10.835 11.973 ( -4.242 -10.073 -6.808) 12.877 11.973 ( -4.242 -10.073 6.808) 12.877 12.545 ( 9.560 1.879 -1.276) 9.826 12.545 ( 9.560 1.879 1.276) 9.826 12.818 ( 4.717 -0.675 -3.434) 5.874 12.818 ( 4.717 -0.675 3.434) 5.874 13.177 ( -3.614 2.752 -1.001) 4.652 13.177 ( -3.614 2.752 1.001) 4.652 13.317 ( -8.323 -1.490 -2.728) 8.885 13.317 ( -8.323 -1.490 2.728) 8.885 15.822 ( 0.807 0.723 -1.714) 2.027 15.822 ( 0.807 0.723 1.714) 2.027 16.022 ( -2.965 -3.710 -0.134) 4.751 16.022 ( -2.965 -3.710 0.134) 4.751 16.265 ( 5.828 -0.933 -1.496) 6.089 16.265 ( 5.828 -0.933 1.496) 6.089 16.548 ( -1.116 -0.127 -1.134) 1.596 16.548 ( -1.116 -0.127 1.134) 1.596 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 2.386 3.437 -1.522) 4.452 2.555 ( 2.386 3.437 1.522) 4.452 2.587 ( -0.574 2.183 -2.191) 3.146 2.587 ( -0.574 2.183 2.191) 3.146 2.715 ( -0.234 0.661 -2.004) 2.124 2.715 ( -0.234 0.661 2.004) 2.124 2.776 ( -2.208 -3.955 -1.198) 4.685 2.776 ( -2.208 -3.955 1.198) 4.685 3.443 ( 0.125 3.463 -5.089) 6.157 3.443 ( 0.125 3.463 5.089) 6.157 3.467 ( -1.643 1.716 -3.220) 4.002 3.467 ( -1.643 1.716 3.220) 4.002 3.685 ( 4.045 4.842 -2.347) 6.732 3.685 ( 4.045 4.842 2.347) 6.732 3.746 ( -0.887 6.553 -2.185) 6.964 3.746 ( -0.887 6.553 2.185) 6.964 3.869 ( 3.428 -7.192 -4.454) 9.127 3.869 ( 3.428 -7.192 4.454) 9.127 3.943 ( -2.993 -8.681 -5.083) 10.495 3.943 ( -2.993 -8.681 5.083) 10.495 4.555 ( 0.480 2.112 -1.226) 2.489 4.555 ( 0.480 2.112 1.226) 2.489 4.631 ( -2.014 -4.082 -1.775) 4.886 4.631 ( -2.014 -4.082 1.775) 4.886 5.149 ( 5.040 3.248 -0.147) 5.998 5.149 ( 5.040 3.248 0.147) 5.998 5.262 ( -5.605 3.188 -0.244) 6.453 5.262 ( -5.605 3.188 0.244) 6.453 5.628 ( 3.281 2.866 -1.256) 4.534 5.628 ( 3.281 2.866 1.256) 4.534 5.729 ( -3.017 1.329 -1.726) 3.721 5.729 ( -3.017 1.329 1.726) 3.721 6.148 ( 1.024 6.531 -0.468) 6.628 6.148 ( 1.024 6.531 0.468) 6.628 6.214 ( 0.122 -0.435 -0.503) 0.676 6.214 ( 0.122 -0.435 0.503) 0.676 6.476 ( 1.950 5.854 -0.514) 6.192 6.476 ( 1.950 5.854 0.514) 6.192 6.532 ( -1.328 3.349 -0.365) 3.621 6.532 ( -1.328 3.349 0.365) 3.621 8.059 ( -0.162 4.075 -0.370) 4.095 8.059 ( -0.162 4.075 0.370) 4.095 8.142 ( -0.465 -3.050 -0.717) 3.168 8.142 ( -0.465 -3.050 0.717) 3.168 8.810 ( 6.028 6.429 -0.485) 8.826 8.810 ( 6.028 6.429 0.485) 8.826 8.865 ( 3.752 0.961 -0.388) 3.893 8.865 ( 3.752 0.961 0.388) 3.893 9.530 ( 6.947 -3.890 -1.015) 8.026 9.530 ( 6.947 -3.890 1.015) 8.026 9.674 ( 1.521 -2.771 -0.753) 3.249 9.674 ( 1.521 -2.771 0.753) 3.249 9.764 ( -9.254 7.854 -4.211) 12.848 9.764 ( -9.254 7.854 4.211) 12.848 9.975 ( -10.837 -12.470 -4.814) 17.208 9.975 ( -10.837 -12.470 4.814) 17.208 10.696 ( 2.933 11.615 -1.937) 12.135 10.696 ( 2.933 11.615 1.937) 12.135 10.926 ( 1.072 -5.406 -0.602) 5.544 10.926 ( 1.072 -5.406 0.602) 5.544 11.341 ( 1.041 1.343 -0.713) 1.843 11.341 ( 1.041 1.343 0.713) 1.843 11.512 ( -0.371 -7.317 -0.426) 7.339 11.512 ( -0.371 -7.317 0.426) 7.339 11.727 ( -0.871 3.598 -2.797) 4.640 11.727 ( -0.871 3.598 2.797) 4.640 11.884 ( -3.504 -9.375 -2.975) 10.441 11.884 ( -3.504 -9.375 2.975) 10.441 12.767 ( 11.502 2.857 -1.701) 11.973 12.767 ( 11.502 2.857 1.701) 11.973 12.918 ( 2.857 0.370 -1.389) 3.198 12.918 ( 2.857 0.370 1.389) 3.198 13.067 ( -6.466 3.202 -2.622) 7.678 13.067 ( -6.466 3.202 2.622) 7.678 13.137 ( -7.152 -3.989 -4.916) 9.552 13.137 ( -7.152 -3.989 4.916) 9.552 15.848 ( 1.473 2.014 -0.678) 2.586 15.848 ( 1.473 2.014 0.678) 2.586 15.960 ( -2.546 -5.185 -0.085) 5.777 15.960 ( -2.546 -5.185 0.085) 5.777 16.393 ( 6.088 -0.134 -1.391) 6.247 16.393 ( 6.088 -0.134 1.391) 6.247 16.502 ( -3.518 -0.722 -1.188) 3.782 16.502 ( -3.518 -0.722 1.188) 3.782 =================== 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 3/25200 10.0 3021.992 3511.921 2655.409 0.000 0.000 0.000 3/25200 20.0 309.615 534.080 356.880 0.000 0.000 0.000 3/25200 30.0 92.069 190.235 104.967 0.000 0.000 0.000 3/25200 40.0 44.218 105.782 50.473 0.000 0.000 0.000 3/25200 50.0 27.026 71.445 31.048 0.000 0.000 0.000 3/25200 60.0 18.851 53.058 21.792 0.000 0.000 0.000 3/25200 70.0 14.234 41.624 16.526 0.000 0.000 0.000 3/25200 80.0 11.322 33.881 13.178 0.000 0.000 0.000 3/25200 90.0 9.345 28.348 10.885 0.000 0.000 0.000 3/25200 100.0 7.930 24.240 9.233 0.000 0.000 0.000 3/25200 110.0 6.874 21.100 7.994 0.000 0.000 0.000 3/25200 120.0 6.062 18.640 7.037 0.000 0.000 0.000 3/25200 130.0 5.420 16.672 6.279 0.000 0.000 0.000 3/25200 140.0 4.901 15.069 5.665 0.000 0.000 0.000 3/25200 150.0 4.474 13.742 5.160 0.000 0.000 0.000 3/25200 160.0 4.117 12.629 4.737 0.000 0.000 0.000 3/25200 170.0 3.813 11.683 4.379 0.000 0.000 0.000 3/25200 180.0 3.553 10.870 4.072 0.000 0.000 0.000 3/25200 190.0 3.327 10.165 3.805 0.000 0.000 0.000 3/25200 200.0 3.129 9.548 3.572 0.000 0.000 0.000 3/25200 210.0 2.954 9.003 3.367 0.000 0.000 0.000 3/25200 220.0 2.798 8.518 3.184 0.000 0.000 0.000 3/25200 230.0 2.658 8.085 3.021 0.000 0.000 0.000 3/25200 240.0 2.532 7.694 2.874 0.000 0.000 0.000 3/25200 250.0 2.418 7.341 2.741 0.000 0.000 0.000 3/25200 260.0 2.314 7.020 2.621 0.000 0.000 0.000 3/25200 270.0 2.219 6.727 2.510 0.000 0.000 0.000 3/25200 280.0 2.132 6.458 2.409 0.000 0.000 0.000 3/25200 290.0 2.052 6.211 2.316 0.000 0.000 0.000 3/25200 300.0 1.977 5.982 2.230 0.000 0.000 0.000 3/25200 310.0 1.908 5.770 2.151 0.000 0.000 0.000 3/25200 320.0 1.844 5.573 2.077 0.000 0.000 0.000 3/25200 330.0 1.784 5.390 2.008 0.000 0.000 0.000 3/25200 340.0 1.728 5.218 1.944 0.000 0.000 0.000 3/25200 350.0 1.675 5.057 1.883 0.000 0.000 0.000 3/25200 360.0 1.626 4.907 1.827 0.000 0.000 0.000 3/25200 370.0 1.579 4.765 1.774 0.000 0.000 0.000 3/25200 380.0 1.535 4.631 1.724 0.000 0.000 0.000 3/25200 390.0 1.494 4.505 1.676 0.000 0.000 0.000 3/25200 400.0 1.455 4.386 1.632 0.000 0.000 0.000 3/25200 410.0 1.417 4.273 1.589 0.000 0.000 0.000 3/25200 420.0 1.382 4.166 1.549 0.000 0.000 0.000 3/25200 430.0 1.349 4.064 1.511 0.000 0.000 0.000 3/25200 440.0 1.317 3.967 1.475 0.000 0.000 0.000 3/25200 450.0 1.286 3.875 1.440 0.000 0.000 0.000 3/25200 460.0 1.257 3.787 1.408 0.000 0.000 0.000 3/25200 470.0 1.230 3.703 1.376 0.000 0.000 0.000 3/25200 480.0 1.203 3.622 1.346 0.000 0.000 0.000 3/25200 490.0 1.178 3.545 1.317 0.000 0.000 0.000 3/25200 500.0 1.153 3.472 1.290 0.000 0.000 0.000 3/25200 510.0 1.130 3.401 1.264 0.000 0.000 0.000 3/25200 520.0 1.108 3.334 1.238 0.000 0.000 0.000 3/25200 530.0 1.086 3.269 1.214 0.000 0.000 0.000 3/25200 540.0 1.065 3.206 1.191 0.000 0.000 0.000 3/25200 550.0 1.046 3.146 1.168 0.000 0.000 0.000 3/25200 560.0 1.026 3.088 1.147 0.000 0.000 0.000 3/25200 570.0 1.008 3.032 1.126 0.000 0.000 0.000 3/25200 580.0 0.990 2.979 1.106 0.000 0.000 0.000 3/25200 590.0 0.973 2.927 1.087 0.000 0.000 0.000 3/25200 600.0 0.956 2.877 1.068 0.000 0.000 0.000 3/25200 610.0 0.940 2.828 1.050 0.000 0.000 0.000 3/25200 620.0 0.925 2.782 1.033 0.000 0.000 0.000 3/25200 630.0 0.910 2.737 1.016 0.000 0.000 0.000 3/25200 640.0 0.896 2.693 0.999 0.000 0.000 0.000 3/25200 650.0 0.881 2.650 0.984 0.000 0.000 0.000 3/25200 660.0 0.868 2.609 0.968 0.000 0.000 0.000 3/25200 670.0 0.855 2.570 0.954 0.000 0.000 0.000 3/25200 680.0 0.842 2.531 0.939 0.000 0.000 0.000 3/25200 690.0 0.830 2.494 0.925 0.000 0.000 0.000 3/25200 700.0 0.817 2.457 0.912 0.000 0.000 0.000 3/25200 710.0 0.806 2.422 0.899 0.000 0.000 0.000 3/25200 720.0 0.794 2.388 0.886 0.000 0.000 0.000 3/25200 730.0 0.783 2.355 0.874 0.000 0.000 0.000 3/25200 740.0 0.773 2.322 0.862 0.000 0.000 0.000 3/25200 750.0 0.762 2.291 0.850 0.000 0.000 0.000 3/25200 760.0 0.752 2.260 0.838 0.000 0.000 0.000 3/25200 770.0 0.742 2.230 0.827 0.000 0.000 0.000 3/25200 780.0 0.732 2.201 0.817 0.000 0.000 0.000 3/25200 790.0 0.723 2.173 0.806 0.000 0.000 0.000 3/25200 800.0 0.714 2.146 0.796 0.000 0.000 0.000 3/25200 810.0 0.705 2.119 0.786 0.000 0.000 0.000 3/25200 820.0 0.696 2.093 0.776 0.000 0.000 0.000 3/25200 830.0 0.688 2.067 0.767 0.000 0.000 0.000 3/25200 840.0 0.680 2.042 0.757 0.000 0.000 0.000 3/25200 850.0 0.671 2.018 0.748 0.000 0.000 0.000 3/25200 860.0 0.664 1.994 0.739 0.000 0.000 0.000 3/25200 870.0 0.656 1.971 0.731 0.000 0.000 0.000 3/25200 880.0 0.648 1.948 0.722 0.000 0.000 0.000 3/25200 890.0 0.641 1.926 0.714 0.000 0.000 0.000 3/25200 900.0 0.634 1.904 0.706 0.000 0.000 0.000 3/25200 910.0 0.627 1.883 0.698 0.000 0.000 0.000 3/25200 920.0 0.620 1.862 0.691 0.000 0.000 0.000 3/25200 930.0 0.613 1.842 0.683 0.000 0.000 0.000 3/25200 940.0 0.607 1.822 0.676 0.000 0.000 0.000 3/25200 950.0 0.600 1.803 0.669 0.000 0.000 0.000 3/25200 960.0 0.594 1.784 0.661 0.000 0.000 0.000 3/25200 970.0 0.588 1.766 0.655 0.000 0.000 0.000 3/25200 980.0 0.582 1.747 0.648 0.000 0.000 0.000 3/25200 990.0 0.576 1.730 0.641 0.000 0.000 0.000 3/25200 1000.0 0.570 1.712 0.635 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:09:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|