----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.330227100718262 0.000000000000000 0.000000000000000 b 0.000000000000000 6.590031709999999 0.000000000000000 c -6.181881794406850 0.000000000000000 9.018960885731225 Atomic positions (fractional): *1 F 0.10322987611686 0.06179447315990 0.22222436035690 18.998 2 F 0.89677012388314 0.56179447315990 0.27777563964310 18.998 3 F 0.89677012388314 0.93820552684010 0.77777563964310 18.998 4 F 0.10322987611686 0.43820552684010 0.72222436035690 18.998 *5 F 0.75220780290791 0.26509498216852 0.92392701416531 18.998 6 F 0.24779219709209 0.76509498216852 0.57607298583469 18.998 7 F 0.24779219709209 0.73490501783148 0.07607298583469 18.998 8 F 0.75220780290791 0.23490501783148 0.42392701416531 18.998 *9 F 0.67401536652437 0.67966492015786 0.44876141120191 18.998 10 F 0.32598463347563 0.17966492015786 0.05123858879809 18.998 11 F 0.32598463347563 0.32033507984214 0.55123858879809 18.998 12 F 0.67401536652437 0.82033507984214 0.94876141120191 18.998 *13 K 0.27589966274506 0.05378367331006 0.75615107645722 39.098 14 K 0.72410033725493 0.55378367331006 0.74384892354278 39.098 15 K 0.72410033725493 0.94621632668994 0.24384892354278 39.098 16 K 0.27589966274506 0.44621632668993 0.25615107645722 39.098 *17 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 18 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 *19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.330227100718262 0.000000000000000 0.000000000000000 b 0.000000000000000 6.590031709999999 0.000000000000000 c -6.181881794406850 0.000000000000000 9.018960885731225 Atomic positions (fractional): *1 F 0.10322987611686 0.06179447315990 0.22222436035690 18.998 > 1 2 F 0.89677012388314 0.56179447315990 0.27777563964310 18.998 > 2 3 F 0.89677012388314 0.93820552684010 0.77777563964310 18.998 > 3 4 F 0.10322987611686 0.43820552684010 0.72222436035690 18.998 > 4 *5 F 0.75220780290791 0.26509498216852 0.92392701416531 18.998 > 5 6 F 0.24779219709209 0.76509498216852 0.57607298583469 18.998 > 6 7 F 0.24779219709209 0.73490501783148 0.07607298583469 18.998 > 7 8 F 0.75220780290791 0.23490501783148 0.42392701416531 18.998 > 8 *9 F 0.67401536652437 0.67966492015786 0.44876141120191 18.998 > 9 10 F 0.32598463347563 0.17966492015786 0.05123858879809 18.998 > 10 11 F 0.32598463347563 0.32033507984214 0.55123858879809 18.998 > 11 12 F 0.67401536652437 0.82033507984214 0.94876141120191 18.998 > 12 *13 K 0.27589966274506 0.05378367331006 0.75615107645722 39.098 > 13 14 K 0.72410033725493 0.55378367331006 0.74384892354278 39.098 > 14 15 K 0.72410033725493 0.94621632668994 0.24384892354278 39.098 > 15 16 K 0.27589966274506 0.44621632668993 0.25615107645722 39.098 > 16 *17 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 17 18 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 18 *19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 19 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.660454201436524 0.000000000000000 0.000000000000000 b 0.000000000000000 13.180063419999998 0.000000000000000 c -6.181881794406850 0.000000000000000 9.018960885731225 Atomic positions (fractional): *1 F 0.05161493805843 0.03089723657995 0.22222436035690 18.998 > 1 2 F 0.55161493805843 0.03089723657995 0.22222436035690 18.998 > 1 3 F 0.05161493805843 0.53089723657995 0.22222436035690 18.998 > 1 4 F 0.55161493805843 0.53089723657995 0.22222436035690 18.998 > 1 5 F 0.44838506194157 0.28089723657995 0.27777563964310 18.998 > 2 6 F 0.94838506194157 0.28089723657995 0.27777563964310 18.998 > 2 7 F 0.44838506194157 0.78089723657995 0.27777563964310 18.998 > 2 8 F 0.94838506194157 0.78089723657995 0.27777563964310 18.998 > 2 9 F 0.44838506194157 0.46910276342005 0.77777563964310 18.998 > 3 10 F 0.94838506194157 0.46910276342005 0.77777563964310 18.998 > 3 11 F 0.44838506194157 0.96910276342005 0.77777563964310 18.998 > 3 12 F 0.94838506194157 0.96910276342005 0.77777563964310 18.998 > 3 13 F 0.05161493805843 0.21910276342005 0.72222436035690 18.998 > 4 14 F 0.55161493805843 0.21910276342005 0.72222436035690 18.998 > 4 15 F 0.05161493805843 0.71910276342005 0.72222436035690 18.998 > 4 16 F 0.55161493805843 0.71910276342005 0.72222436035690 18.998 > 4 *17 F 0.37610390145395 0.13254749108426 0.92392701416531 18.998 > 5 18 F 0.87610390145395 0.13254749108426 0.92392701416531 18.998 > 5 19 F 0.37610390145395 0.63254749108426 0.92392701416531 18.998 > 5 20 F 0.87610390145395 0.63254749108426 0.92392701416531 18.998 > 5 21 F 0.12389609854605 0.38254749108426 0.57607298583469 18.998 > 6 22 F 0.62389609854605 0.38254749108426 0.57607298583469 18.998 > 6 23 F 0.12389609854605 0.88254749108426 0.57607298583469 18.998 > 6 24 F 0.62389609854605 0.88254749108426 0.57607298583469 18.998 > 6 25 F 0.12389609854605 0.36745250891574 0.07607298583469 18.998 > 7 26 F 0.62389609854605 0.36745250891574 0.07607298583469 18.998 > 7 27 F 0.12389609854605 0.86745250891574 0.07607298583469 18.998 > 7 28 F 0.62389609854605 0.86745250891574 0.07607298583469 18.998 > 7 29 F 0.37610390145395 0.11745250891574 0.42392701416531 18.998 > 8 30 F 0.87610390145395 0.11745250891574 0.42392701416531 18.998 > 8 31 F 0.37610390145395 0.61745250891574 0.42392701416531 18.998 > 8 32 F 0.87610390145395 0.61745250891574 0.42392701416531 18.998 > 8 *33 F 0.33700768326218 0.33983246007893 0.44876141120191 18.998 > 9 34 F 0.83700768326218 0.33983246007893 0.44876141120191 18.998 > 9 35 F 0.33700768326218 0.83983246007893 0.44876141120191 18.998 > 9 36 F 0.83700768326218 0.83983246007893 0.44876141120191 18.998 > 9 37 F 0.16299231673782 0.08983246007893 0.05123858879809 18.998 > 10 38 F 0.66299231673782 0.08983246007893 0.05123858879809 18.998 > 10 39 F 0.16299231673782 0.58983246007893 0.05123858879809 18.998 > 10 40 F 0.66299231673782 0.58983246007893 0.05123858879809 18.998 > 10 41 F 0.16299231673782 0.16016753992107 0.55123858879809 18.998 > 11 42 F 0.66299231673782 0.16016753992107 0.55123858879809 18.998 > 11 43 F 0.16299231673782 0.66016753992107 0.55123858879809 18.998 > 11 44 F 0.66299231673782 0.66016753992107 0.55123858879809 18.998 > 11 45 F 0.33700768326218 0.41016753992107 0.94876141120191 18.998 > 12 46 F 0.83700768326218 0.41016753992107 0.94876141120191 18.998 > 12 47 F 0.33700768326218 0.91016753992107 0.94876141120191 18.998 > 12 48 F 0.83700768326218 0.91016753992107 0.94876141120191 18.998 > 12 *49 K 0.13794983137253 0.02689183665503 0.75615107645722 39.098 > 13 50 K 0.63794983137253 0.02689183665503 0.75615107645722 39.098 > 13 51 K 0.13794983137253 0.52689183665503 0.75615107645722 39.098 > 13 52 K 0.63794983137253 0.52689183665503 0.75615107645722 39.098 > 13 53 K 0.36205016862747 0.27689183665503 0.74384892354278 39.098 > 14 54 K 0.86205016862747 0.27689183665503 0.74384892354278 39.098 > 14 55 K 0.36205016862747 0.77689183665503 0.74384892354278 39.098 > 14 56 K 0.86205016862747 0.77689183665503 0.74384892354278 39.098 > 14 57 K 0.36205016862747 0.47310816334497 0.24384892354278 39.098 > 15 58 K 0.86205016862747 0.47310816334497 0.24384892354278 39.098 > 15 59 K 0.36205016862747 0.97310816334497 0.24384892354278 39.098 > 15 60 K 0.86205016862747 0.97310816334497 0.24384892354278 39.098 > 15 61 K 0.13794983137253 0.22310816334497 0.25615107645722 39.098 > 16 62 K 0.63794983137253 0.22310816334497 0.25615107645722 39.098 > 16 63 K 0.13794983137253 0.72310816334497 0.25615107645722 39.098 > 16 64 K 0.63794983137253 0.72310816334497 0.25615107645722 39.098 > 16 *65 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 17 66 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 17 67 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 17 68 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 17 69 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 18 70 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 18 71 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 18 72 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 18 *73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 19 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 19 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 19 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 19 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 20 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 20 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0176758 0.0000000 0.0088558 0.0000000 2.0126577 0.0000000 0.0088578 0.0000000 2.0000372 -------------------------- Born effective charges -------------------------- 1 F -0.9939494 -0.0193138 0.2099246 -0.0247453 -0.8935099 -0.1438374 0.2101405 -0.1399128 -1.5352803 2 F -0.9939494 0.0193138 0.2099246 0.0247453 -0.8935099 0.1438374 0.2101405 0.1399128 -1.5352803 3 F -0.9939494 -0.0193138 0.2099246 -0.0247453 -0.8935099 -0.1438374 0.2101405 -0.1399128 -1.5352803 4 F -0.9939494 0.0193138 0.2099246 0.0247453 -0.8935099 0.1438374 0.2101405 0.1399128 -1.5352803 5 F -1.0950344 0.3140548 -0.1409138 0.3135046 -1.4021014 0.2179435 -0.1343915 0.2141966 -0.9379077 6 F -1.0950344 -0.3140548 -0.1409138 -0.3135046 -1.4021014 -0.2179435 -0.1343915 -0.2141966 -0.9379077 7 F -1.0950344 0.3140548 -0.1409138 0.3135046 -1.4021014 0.2179435 -0.1343915 0.2141966 -0.9379077 8 F -1.0950344 -0.3140548 -0.1409138 -0.3135046 -1.4021014 -0.2179435 -0.1343915 -0.2141966 -0.9379077 9 F -1.3786470 0.3470868 -0.1159002 0.3473026 -1.1478818 0.0689402 -0.1171902 0.0644163 -0.9090949 10 F -1.3786470 -0.3470868 -0.1159002 -0.3473026 -1.1478818 -0.0689402 -0.1171902 -0.0644163 -0.9090949 11 F -1.3786470 0.3470868 -0.1159002 0.3473026 -1.1478818 0.0689402 -0.1171902 0.0644163 -0.9090949 12 F -1.3786470 -0.3470868 -0.1159002 -0.3473026 -1.1478818 -0.0689402 -0.1171902 -0.0644163 -0.9090949 13 K 1.1845570 -0.0274179 0.0258363 -0.0404915 1.1882316 -0.0087002 -0.0020787 -0.0338441 1.1174991 14 K 1.1845570 0.0274179 0.0258363 0.0404915 1.1882316 0.0087002 -0.0020787 0.0338441 1.1174991 15 K 1.1845570 -0.0274179 0.0258363 -0.0404915 1.1882316 -0.0087002 -0.0020787 -0.0338441 1.1174991 16 K 1.1845570 0.0274179 0.0258363 0.0404915 1.1882316 0.0087002 -0.0020787 0.0338441 1.1174991 17 K 1.1835261 -0.0526035 -0.0478236 -0.0079068 1.2363471 -0.0343117 0.0309987 -0.0517198 1.1921893 18 K 1.1835261 0.0526035 -0.0478236 0.0079068 1.2363471 0.0343117 0.0309987 0.0517198 1.1921893 19 Y 3.3826213 0.0472860 0.0899299 0.0334782 3.2741758 -0.0820256 0.0560410 -0.0619620 3.3373783 20 Y 3.3826213 -0.0472860 0.0899299 -0.0334782 3.2741758 0.0820256 0.0560410 0.0619620 3.3373783 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 392), data: True |-- (404, 393), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.182 Solver_block: 200 / 640 - Time: 2.154 Solver_block: 300 / 640 - Time: 2.153 Solver_block: 400 / 640 - Time: 2.155 Solver_block: 500 / 640 - Time: 2.158 Solver_block: 600 / 640 - Time: 2.155 Solver_block: 640 / 640 - Time: 0.921 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.925 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 392), data: True |-- (404, 393), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:14:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:14:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.330227100718262 0.000000000000000 0.000000000000000 b 0.000000000000000 6.590031709999999 0.000000000000000 c -6.181881794406850 0.000000000000000 9.018960885731225 Atomic positions (fractional): 1 F 0.10322987611686 0.06179447315990 0.22222436035690 18.998 2 F 0.89677012388314 0.56179447315990 0.27777563964310 18.998 3 F 0.89677012388314 0.93820552684010 0.77777563964310 18.998 4 F 0.10322987611686 0.43820552684010 0.72222436035690 18.998 5 F 0.75220780290791 0.26509498216852 0.92392701416531 18.998 6 F 0.24779219709209 0.76509498216852 0.57607298583469 18.998 7 F 0.24779219709209 0.73490501783148 0.07607298583469 18.998 8 F 0.75220780290791 0.23490501783148 0.42392701416531 18.998 9 F 0.67401536652437 0.67966492015786 0.44876141120191 18.998 10 F 0.32598463347563 0.17966492015786 0.05123858879809 18.998 11 F 0.32598463347563 0.32033507984214 0.55123858879809 18.998 12 F 0.67401536652437 0.82033507984214 0.94876141120191 18.998 13 K 0.27589966274506 0.05378367331006 0.75615107645722 39.098 14 K 0.72410033725493 0.55378367331006 0.74384892354278 39.098 15 K 0.72410033725493 0.94621632668994 0.24384892354278 39.098 16 K 0.27589966274506 0.44621632668993 0.25615107645722 39.098 17 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 18 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.660454201436524 0.000000000000000 0.000000000000000 b 0.000000000000000 13.180063419999998 0.000000000000000 c -6.181881794406850 0.000000000000000 9.018960885731225 Atomic positions (fractional): 1 F 0.05161493805843 0.03089723657995 0.22222436035690 18.998 > 1 2 F 0.55161493805843 0.03089723657995 0.22222436035690 18.998 > 1 3 F 0.05161493805843 0.53089723657995 0.22222436035690 18.998 > 1 4 F 0.55161493805843 0.53089723657995 0.22222436035690 18.998 > 1 5 F 0.44838506194157 0.28089723657995 0.27777563964310 18.998 > 5 6 F 0.94838506194157 0.28089723657995 0.27777563964310 18.998 > 5 7 F 0.44838506194157 0.78089723657995 0.27777563964310 18.998 > 5 8 F 0.94838506194157 0.78089723657995 0.27777563964310 18.998 > 5 9 F 0.44838506194157 0.46910276342005 0.77777563964310 18.998 > 9 10 F 0.94838506194157 0.46910276342005 0.77777563964310 18.998 > 9 11 F 0.44838506194157 0.96910276342005 0.77777563964310 18.998 > 9 12 F 0.94838506194157 0.96910276342005 0.77777563964310 18.998 > 9 13 F 0.05161493805843 0.21910276342005 0.72222436035690 18.998 > 13 14 F 0.55161493805843 0.21910276342005 0.72222436035690 18.998 > 13 15 F 0.05161493805843 0.71910276342005 0.72222436035690 18.998 > 13 16 F 0.55161493805843 0.71910276342005 0.72222436035690 18.998 > 13 17 F 0.37610390145395 0.13254749108426 0.92392701416531 18.998 > 17 18 F 0.87610390145395 0.13254749108426 0.92392701416531 18.998 > 17 19 F 0.37610390145395 0.63254749108426 0.92392701416531 18.998 > 17 20 F 0.87610390145395 0.63254749108426 0.92392701416531 18.998 > 17 21 F 0.12389609854605 0.38254749108426 0.57607298583469 18.998 > 21 22 F 0.62389609854605 0.38254749108426 0.57607298583469 18.998 > 21 23 F 0.12389609854605 0.88254749108426 0.57607298583469 18.998 > 21 24 F 0.62389609854605 0.88254749108426 0.57607298583469 18.998 > 21 25 F 0.12389609854605 0.36745250891574 0.07607298583469 18.998 > 25 26 F 0.62389609854605 0.36745250891574 0.07607298583469 18.998 > 25 27 F 0.12389609854605 0.86745250891574 0.07607298583469 18.998 > 25 28 F 0.62389609854605 0.86745250891574 0.07607298583469 18.998 > 25 29 F 0.37610390145395 0.11745250891574 0.42392701416531 18.998 > 29 30 F 0.87610390145395 0.11745250891574 0.42392701416531 18.998 > 29 31 F 0.37610390145395 0.61745250891574 0.42392701416531 18.998 > 29 32 F 0.87610390145395 0.61745250891574 0.42392701416531 18.998 > 29 33 F 0.33700768326218 0.33983246007893 0.44876141120191 18.998 > 33 34 F 0.83700768326218 0.33983246007893 0.44876141120191 18.998 > 33 35 F 0.33700768326218 0.83983246007893 0.44876141120191 18.998 > 33 36 F 0.83700768326218 0.83983246007893 0.44876141120191 18.998 > 33 37 F 0.16299231673782 0.08983246007893 0.05123858879809 18.998 > 37 38 F 0.66299231673782 0.08983246007893 0.05123858879809 18.998 > 37 39 F 0.16299231673782 0.58983246007893 0.05123858879809 18.998 > 37 40 F 0.66299231673782 0.58983246007893 0.05123858879809 18.998 > 37 41 F 0.16299231673782 0.16016753992107 0.55123858879809 18.998 > 41 42 F 0.66299231673782 0.16016753992107 0.55123858879809 18.998 > 41 43 F 0.16299231673782 0.66016753992107 0.55123858879809 18.998 > 41 44 F 0.66299231673782 0.66016753992107 0.55123858879809 18.998 > 41 45 F 0.33700768326218 0.41016753992107 0.94876141120191 18.998 > 45 46 F 0.83700768326218 0.41016753992107 0.94876141120191 18.998 > 45 47 F 0.33700768326218 0.91016753992107 0.94876141120191 18.998 > 45 48 F 0.83700768326218 0.91016753992107 0.94876141120191 18.998 > 45 49 K 0.13794983137253 0.02689183665503 0.75615107645722 39.098 > 49 50 K 0.63794983137253 0.02689183665503 0.75615107645722 39.098 > 49 51 K 0.13794983137253 0.52689183665503 0.75615107645722 39.098 > 49 52 K 0.63794983137253 0.52689183665503 0.75615107645722 39.098 > 49 53 K 0.36205016862747 0.27689183665503 0.74384892354278 39.098 > 53 54 K 0.86205016862747 0.27689183665503 0.74384892354278 39.098 > 53 55 K 0.36205016862747 0.77689183665503 0.74384892354278 39.098 > 53 56 K 0.86205016862747 0.77689183665503 0.74384892354278 39.098 > 53 57 K 0.36205016862747 0.47310816334497 0.24384892354278 39.098 > 57 58 K 0.86205016862747 0.47310816334497 0.24384892354278 39.098 > 57 59 K 0.36205016862747 0.97310816334497 0.24384892354278 39.098 > 57 60 K 0.86205016862747 0.97310816334497 0.24384892354278 39.098 > 57 61 K 0.13794983137253 0.22310816334497 0.25615107645722 39.098 > 61 62 K 0.63794983137253 0.22310816334497 0.25615107645722 39.098 > 61 63 K 0.13794983137253 0.72310816334497 0.25615107645722 39.098 > 61 64 K 0.63794983137253 0.72310816334497 0.25615107645722 39.098 > 61 65 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 65 66 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 65 67 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 65 68 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 65 69 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 69 70 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 69 71 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 69 72 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 69 73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 73 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 73 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 73 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 73 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 77 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 77 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 77 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0176758 0.0000000 0.0088558 0.0000000 2.0126577 0.0000000 0.0088578 0.0000000 2.0000372 -------------------------- Born effective charges -------------------------- 1 F -0.9939494 -0.0193138 0.2099246 -0.0247453 -0.8935099 -0.1438374 0.2101405 -0.1399128 -1.5352803 2 F -0.9939494 0.0193138 0.2099246 0.0247453 -0.8935099 0.1438374 0.2101405 0.1399128 -1.5352803 3 F -0.9939494 -0.0193138 0.2099246 -0.0247453 -0.8935099 -0.1438374 0.2101405 -0.1399128 -1.5352803 4 F -0.9939494 0.0193138 0.2099246 0.0247453 -0.8935099 0.1438374 0.2101405 0.1399128 -1.5352803 5 F -1.0950344 0.3140548 -0.1409138 0.3135046 -1.4021014 0.2179435 -0.1343915 0.2141966 -0.9379077 6 F -1.0950344 -0.3140548 -0.1409138 -0.3135046 -1.4021014 -0.2179435 -0.1343915 -0.2141966 -0.9379077 7 F -1.0950344 0.3140548 -0.1409138 0.3135046 -1.4021014 0.2179435 -0.1343915 0.2141966 -0.9379077 8 F -1.0950344 -0.3140548 -0.1409138 -0.3135046 -1.4021014 -0.2179435 -0.1343915 -0.2141966 -0.9379077 9 F -1.3786470 0.3470868 -0.1159002 0.3473026 -1.1478818 0.0689402 -0.1171902 0.0644163 -0.9090949 10 F -1.3786470 -0.3470868 -0.1159002 -0.3473026 -1.1478818 -0.0689402 -0.1171902 -0.0644163 -0.9090949 11 F -1.3786470 0.3470868 -0.1159002 0.3473026 -1.1478818 0.0689402 -0.1171902 0.0644163 -0.9090949 12 F -1.3786470 -0.3470868 -0.1159002 -0.3473026 -1.1478818 -0.0689402 -0.1171902 -0.0644163 -0.9090949 13 K 1.1845570 -0.0274179 0.0258363 -0.0404915 1.1882316 -0.0087002 -0.0020787 -0.0338441 1.1174991 14 K 1.1845570 0.0274179 0.0258363 0.0404915 1.1882316 0.0087002 -0.0020787 0.0338441 1.1174991 15 K 1.1845570 -0.0274179 0.0258363 -0.0404915 1.1882316 -0.0087002 -0.0020787 -0.0338441 1.1174991 16 K 1.1845570 0.0274179 0.0258363 0.0404915 1.1882316 0.0087002 -0.0020787 0.0338441 1.1174991 17 K 1.1835261 -0.0526035 -0.0478236 -0.0079068 1.2363471 -0.0343117 0.0309987 -0.0517198 1.1921893 18 K 1.1835261 0.0526035 -0.0478236 0.0079068 1.2363471 0.0343117 0.0309987 0.0517198 1.1921893 19 Y 3.3826213 0.0472860 0.0899299 0.0334782 3.2741758 -0.0820256 0.0560410 -0.0619620 3.3373783 20 Y 3.3826213 -0.0472860 0.0899299 -0.0334782 3.2741758 0.0820256 0.0560410 0.0619620 3.3373783 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:14:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:14:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.330227100718262 0.000000000000000 0.000000000000000 b 0.000000000000000 6.590031709999999 0.000000000000000 c -6.181881794406850 0.000000000000000 9.018960885731225 Atomic positions (fractional): 1 F 0.10322987611686 0.06179447315990 0.22222436035690 18.998 2 F 0.89677012388314 0.56179447315990 0.27777563964310 18.998 3 F 0.89677012388314 0.93820552684010 0.77777563964310 18.998 4 F 0.10322987611686 0.43820552684010 0.72222436035690 18.998 5 F 0.75220780290791 0.26509498216852 0.92392701416531 18.998 6 F 0.24779219709209 0.76509498216852 0.57607298583469 18.998 7 F 0.24779219709209 0.73490501783148 0.07607298583469 18.998 8 F 0.75220780290791 0.23490501783148 0.42392701416531 18.998 9 F 0.67401536652437 0.67966492015786 0.44876141120191 18.998 10 F 0.32598463347563 0.17966492015786 0.05123858879809 18.998 11 F 0.32598463347563 0.32033507984214 0.55123858879809 18.998 12 F 0.67401536652437 0.82033507984214 0.94876141120191 18.998 13 K 0.27589966274506 0.05378367331006 0.75615107645722 39.098 14 K 0.72410033725493 0.55378367331006 0.74384892354278 39.098 15 K 0.72410033725493 0.94621632668994 0.24384892354278 39.098 16 K 0.27589966274506 0.44621632668993 0.25615107645722 39.098 17 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 18 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.660454201436524 0.000000000000000 0.000000000000000 b 0.000000000000000 13.180063419999998 0.000000000000000 c -6.181881794406850 0.000000000000000 9.018960885731225 Atomic positions (fractional): 1 F 0.05161493805843 0.03089723657995 0.22222436035690 18.998 > 1 2 F 0.55161493805843 0.03089723657995 0.22222436035690 18.998 > 1 3 F 0.05161493805843 0.53089723657995 0.22222436035690 18.998 > 1 4 F 0.55161493805843 0.53089723657995 0.22222436035690 18.998 > 1 5 F 0.44838506194157 0.28089723657995 0.27777563964310 18.998 > 5 6 F 0.94838506194157 0.28089723657995 0.27777563964310 18.998 > 5 7 F 0.44838506194157 0.78089723657995 0.27777563964310 18.998 > 5 8 F 0.94838506194157 0.78089723657995 0.27777563964310 18.998 > 5 9 F 0.44838506194157 0.46910276342005 0.77777563964310 18.998 > 9 10 F 0.94838506194157 0.46910276342005 0.77777563964310 18.998 > 9 11 F 0.44838506194157 0.96910276342005 0.77777563964310 18.998 > 9 12 F 0.94838506194157 0.96910276342005 0.77777563964310 18.998 > 9 13 F 0.05161493805843 0.21910276342005 0.72222436035690 18.998 > 13 14 F 0.55161493805843 0.21910276342005 0.72222436035690 18.998 > 13 15 F 0.05161493805843 0.71910276342005 0.72222436035690 18.998 > 13 16 F 0.55161493805843 0.71910276342005 0.72222436035690 18.998 > 13 17 F 0.37610390145395 0.13254749108426 0.92392701416531 18.998 > 17 18 F 0.87610390145395 0.13254749108426 0.92392701416531 18.998 > 17 19 F 0.37610390145395 0.63254749108426 0.92392701416531 18.998 > 17 20 F 0.87610390145395 0.63254749108426 0.92392701416531 18.998 > 17 21 F 0.12389609854605 0.38254749108426 0.57607298583469 18.998 > 21 22 F 0.62389609854605 0.38254749108426 0.57607298583469 18.998 > 21 23 F 0.12389609854605 0.88254749108426 0.57607298583469 18.998 > 21 24 F 0.62389609854605 0.88254749108426 0.57607298583469 18.998 > 21 25 F 0.12389609854605 0.36745250891574 0.07607298583469 18.998 > 25 26 F 0.62389609854605 0.36745250891574 0.07607298583469 18.998 > 25 27 F 0.12389609854605 0.86745250891574 0.07607298583469 18.998 > 25 28 F 0.62389609854605 0.86745250891574 0.07607298583469 18.998 > 25 29 F 0.37610390145395 0.11745250891574 0.42392701416531 18.998 > 29 30 F 0.87610390145395 0.11745250891574 0.42392701416531 18.998 > 29 31 F 0.37610390145395 0.61745250891574 0.42392701416531 18.998 > 29 32 F 0.87610390145395 0.61745250891574 0.42392701416531 18.998 > 29 33 F 0.33700768326218 0.33983246007893 0.44876141120191 18.998 > 33 34 F 0.83700768326218 0.33983246007893 0.44876141120191 18.998 > 33 35 F 0.33700768326218 0.83983246007893 0.44876141120191 18.998 > 33 36 F 0.83700768326218 0.83983246007893 0.44876141120191 18.998 > 33 37 F 0.16299231673782 0.08983246007893 0.05123858879809 18.998 > 37 38 F 0.66299231673782 0.08983246007893 0.05123858879809 18.998 > 37 39 F 0.16299231673782 0.58983246007893 0.05123858879809 18.998 > 37 40 F 0.66299231673782 0.58983246007893 0.05123858879809 18.998 > 37 41 F 0.16299231673782 0.16016753992107 0.55123858879809 18.998 > 41 42 F 0.66299231673782 0.16016753992107 0.55123858879809 18.998 > 41 43 F 0.16299231673782 0.66016753992107 0.55123858879809 18.998 > 41 44 F 0.66299231673782 0.66016753992107 0.55123858879809 18.998 > 41 45 F 0.33700768326218 0.41016753992107 0.94876141120191 18.998 > 45 46 F 0.83700768326218 0.41016753992107 0.94876141120191 18.998 > 45 47 F 0.33700768326218 0.91016753992107 0.94876141120191 18.998 > 45 48 F 0.83700768326218 0.91016753992107 0.94876141120191 18.998 > 45 49 K 0.13794983137253 0.02689183665503 0.75615107645722 39.098 > 49 50 K 0.63794983137253 0.02689183665503 0.75615107645722 39.098 > 49 51 K 0.13794983137253 0.52689183665503 0.75615107645722 39.098 > 49 52 K 0.63794983137253 0.52689183665503 0.75615107645722 39.098 > 49 53 K 0.36205016862747 0.27689183665503 0.74384892354278 39.098 > 53 54 K 0.86205016862747 0.27689183665503 0.74384892354278 39.098 > 53 55 K 0.36205016862747 0.77689183665503 0.74384892354278 39.098 > 53 56 K 0.86205016862747 0.77689183665503 0.74384892354278 39.098 > 53 57 K 0.36205016862747 0.47310816334497 0.24384892354278 39.098 > 57 58 K 0.86205016862747 0.47310816334497 0.24384892354278 39.098 > 57 59 K 0.36205016862747 0.97310816334497 0.24384892354278 39.098 > 57 60 K 0.86205016862747 0.97310816334497 0.24384892354278 39.098 > 57 61 K 0.13794983137253 0.22310816334497 0.25615107645722 39.098 > 61 62 K 0.63794983137253 0.22310816334497 0.25615107645722 39.098 > 61 63 K 0.13794983137253 0.72310816334497 0.25615107645722 39.098 > 61 64 K 0.63794983137253 0.72310816334497 0.25615107645722 39.098 > 61 65 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 65 66 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 65 67 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 65 68 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 65 69 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 69 70 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 69 71 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 69 72 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 69 73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 73 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 73 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 73 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 73 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 77 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 77 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 77 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0176758 0.0000000 0.0088558 0.0000000 2.0126577 0.0000000 0.0088578 0.0000000 2.0000372 -------------------------- Born effective charges -------------------------- 1 F -0.9939494 -0.0193138 0.2099246 -0.0247453 -0.8935099 -0.1438374 0.2101405 -0.1399128 -1.5352803 2 F -0.9939494 0.0193138 0.2099246 0.0247453 -0.8935099 0.1438374 0.2101405 0.1399128 -1.5352803 3 F -0.9939494 -0.0193138 0.2099246 -0.0247453 -0.8935099 -0.1438374 0.2101405 -0.1399128 -1.5352803 4 F -0.9939494 0.0193138 0.2099246 0.0247453 -0.8935099 0.1438374 0.2101405 0.1399128 -1.5352803 5 F -1.0950344 0.3140548 -0.1409138 0.3135046 -1.4021014 0.2179435 -0.1343915 0.2141966 -0.9379077 6 F -1.0950344 -0.3140548 -0.1409138 -0.3135046 -1.4021014 -0.2179435 -0.1343915 -0.2141966 -0.9379077 7 F -1.0950344 0.3140548 -0.1409138 0.3135046 -1.4021014 0.2179435 -0.1343915 0.2141966 -0.9379077 8 F -1.0950344 -0.3140548 -0.1409138 -0.3135046 -1.4021014 -0.2179435 -0.1343915 -0.2141966 -0.9379077 9 F -1.3786470 0.3470868 -0.1159002 0.3473026 -1.1478818 0.0689402 -0.1171902 0.0644163 -0.9090949 10 F -1.3786470 -0.3470868 -0.1159002 -0.3473026 -1.1478818 -0.0689402 -0.1171902 -0.0644163 -0.9090949 11 F -1.3786470 0.3470868 -0.1159002 0.3473026 -1.1478818 0.0689402 -0.1171902 0.0644163 -0.9090949 12 F -1.3786470 -0.3470868 -0.1159002 -0.3473026 -1.1478818 -0.0689402 -0.1171902 -0.0644163 -0.9090949 13 K 1.1845570 -0.0274179 0.0258363 -0.0404915 1.1882316 -0.0087002 -0.0020787 -0.0338441 1.1174991 14 K 1.1845570 0.0274179 0.0258363 0.0404915 1.1882316 0.0087002 -0.0020787 0.0338441 1.1174991 15 K 1.1845570 -0.0274179 0.0258363 -0.0404915 1.1882316 -0.0087002 -0.0020787 -0.0338441 1.1174991 16 K 1.1845570 0.0274179 0.0258363 0.0404915 1.1882316 0.0087002 -0.0020787 0.0338441 1.1174991 17 K 1.1835261 -0.0526035 -0.0478236 -0.0079068 1.2363471 -0.0343117 0.0309987 -0.0517198 1.1921893 18 K 1.1835261 0.0526035 -0.0478236 0.0079068 1.2363471 0.0343117 0.0309987 0.0517198 1.1921893 19 Y 3.3826213 0.0472860 0.0899299 0.0334782 3.2741758 -0.0820256 0.0560410 -0.0619620 3.3373783 20 Y 3.3826213 -0.0472860 0.0899299 -0.0334782 3.2741758 0.0820256 0.0560410 0.0619620 3.3373783 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 6 ] 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: 0.58, Number of G-points: 315, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 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 1.086 ( 0.000 0.000 0.000) 0.000 1.247 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 11.087 ( 0.000 0.000 0.000) 0.000 11.130 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 11.960 ( 0.000 0.000 0.000) 0.000 12.305 ( 0.000 0.000 0.000) 0.000 13.763 ( 0.000 0.000 0.000) 0.000 13.825 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.416 ( 18.668 0.000 9.700) 21.038 0.429 ( 18.116 0.000 12.207) 21.845 0.825 ( 33.215 0.000 22.995) 40.398 1.223 ( 13.551 0.000 2.903) 13.858 1.231 ( -18.676 0.000 16.495) 24.918 1.463 ( 3.156 0.000 1.526) 3.506 1.513 ( -3.251 0.000 -9.069) 9.634 2.056 ( 1.221 0.000 -1.210) 1.719 2.244 ( -3.230 0.000 -7.679) 8.331 2.338 ( -4.530 0.000 15.458) 16.108 2.455 ( 1.501 0.000 -5.403) 5.608 2.619 ( -17.103 0.000 8.234) 18.982 2.735 ( 4.028 0.000 0.847) 4.116 2.799 ( -11.478 0.000 -3.296) 11.942 3.018 ( -6.383 0.000 1.726) 6.612 3.032 ( -7.412 0.000 -9.054) 11.701 3.235 ( 12.982 0.000 5.267) 14.010 3.314 ( 5.847 0.000 0.221) 5.851 3.486 ( -1.501 0.000 -9.486) 9.604 3.567 ( 3.955 0.000 2.667) 4.770 3.789 ( 6.974 0.000 -4.042) 8.061 3.811 ( -12.855 0.000 3.437) 13.306 3.995 ( -11.415 0.000 10.839) 15.741 4.120 ( -4.251 0.000 4.405) 6.122 4.151 ( -1.724 0.000 -3.994) 4.350 4.270 ( 0.583 0.000 -6.165) 6.193 4.432 ( 6.190 0.000 6.717) 9.134 4.566 ( 3.645 0.000 -4.716) 5.960 4.602 ( 0.910 0.000 -0.244) 0.942 4.742 ( 3.560 0.000 0.669) 3.622 4.882 ( 5.454 0.000 9.519) 10.971 4.950 ( 6.043 0.000 -4.270) 7.400 5.111 ( -2.447 0.000 -0.361) 2.473 5.212 ( -2.990 0.000 -2.073) 3.638 5.302 ( -2.040 0.000 1.374) 2.459 5.687 ( 0.010 0.000 0.062) 0.063 5.707 ( -4.868 0.000 10.188) 11.292 5.796 ( 0.697 0.000 1.856) 1.982 6.130 ( 4.843 0.000 -12.212) 13.137 6.257 ( -1.268 0.000 4.217) 4.404 6.409 ( -3.353 0.000 -1.813) 3.812 6.454 ( -1.245 0.000 -1.517) 1.962 6.559 ( -5.106 0.000 -0.839) 5.174 6.668 ( -11.060 0.000 -2.596) 11.360 6.723 ( 4.850 0.000 2.640) 5.522 7.134 ( 2.130 0.000 -0.973) 2.342 7.225 ( 8.935 0.000 -2.155) 9.191 7.485 ( 5.653 0.000 -8.357) 10.089 10.819 ( 0.872 0.000 -0.263) 0.911 11.067 ( -0.550 0.000 -2.368) 2.431 11.170 ( 1.021 0.000 0.121) 1.028 11.265 ( 0.040 0.000 1.470) 1.470 11.280 ( -8.080 0.000 13.172) 15.453 11.504 ( 3.545 0.000 -8.690) 9.385 11.590 ( -7.383 0.000 -5.572) 9.250 12.117 ( 18.495 0.000 -0.372) 18.499 12.265 ( -8.381 0.000 8.577) 11.992 13.756 ( -1.017 0.000 -0.152) 1.028 13.828 ( 0.323 0.000 0.080) 0.332 13.921 ( 3.092 0.000 -6.751) 7.426 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 15.438 0.000 7.563) 17.191 0.797 ( 9.237 0.000 9.484) 13.239 1.081 ( -5.778 0.000 3.629) 6.823 1.341 ( -2.578 0.000 -3.242) 4.143 1.405 ( 5.940 0.000 0.216) 5.943 1.561 ( 17.280 0.000 1.807) 17.374 1.648 ( 19.962 0.000 13.013) 23.829 2.014 ( -8.915 0.000 -10.934) 14.108 2.100 ( 4.364 0.000 2.238) 4.904 2.292 ( -11.186 0.000 8.038) 13.774 2.375 ( 0.228 0.000 -7.354) 7.358 2.558 ( -13.356 0.000 5.868) 14.588 2.677 ( -6.468 0.000 2.254) 6.849 2.827 ( 2.764 0.000 4.163) 4.997 2.889 ( 1.700 0.000 4.334) 4.656 2.962 ( -4.336 0.000 4.856) 6.510 3.275 ( -14.951 0.000 -5.578) 15.958 3.318 ( -8.230 0.000 5.974) 10.170 3.487 ( 17.330 0.000 -6.830) 18.628 3.596 ( -0.293 0.000 0.698) 0.757 3.606 ( -8.391 0.000 -2.354) 8.715 3.856 ( 4.309 0.000 -2.801) 5.140 4.006 ( -1.595 0.000 5.890) 6.102 4.021 ( -10.122 0.000 0.826) 10.156 4.131 ( 5.412 0.000 -5.204) 7.508 4.282 ( 5.026 0.000 -0.446) 5.046 4.588 ( 6.448 0.000 1.670) 6.660 4.637 ( 1.685 0.000 0.727) 1.835 4.642 ( 6.555 0.000 4.559) 7.985 4.729 ( 0.478 0.000 -8.478) 8.492 4.955 ( -0.662 0.000 -3.417) 3.481 5.026 ( -7.888 0.000 -0.564) 7.908 5.074 ( 6.030 0.000 6.720) 9.029 5.162 ( -1.381 0.000 -0.227) 1.400 5.278 ( -4.227 0.000 3.412) 5.432 5.708 ( 2.494 0.000 0.725) 2.597 5.769 ( 0.643 0.000 7.031) 7.061 5.802 ( -2.086 0.000 -0.259) 2.102 6.086 ( 3.112 0.000 -5.674) 6.472 6.262 ( -2.649 0.000 2.051) 3.350 6.318 ( -4.890 0.000 -1.603) 5.146 6.401 ( -3.181 0.000 -1.338) 3.451 6.443 ( -8.753 0.000 -0.515) 8.768 6.469 ( -7.628 0.000 -4.339) 8.775 6.871 ( 8.494 0.000 4.119) 9.440 7.137 ( 1.740 0.000 -3.987) 4.350 7.342 ( 8.232 0.000 -2.412) 8.579 7.483 ( 2.690 0.000 -4.341) 5.107 10.836 ( 1.608 0.000 -0.306) 1.637 11.027 ( -0.630 0.000 -2.914) 2.981 11.194 ( 1.716 0.000 0.315) 1.744 11.279 ( -0.114 0.000 1.116) 1.122 11.300 ( -2.030 0.000 5.082) 5.473 11.452 ( -0.298 0.000 -5.422) 5.430 11.453 ( -3.801 0.000 -4.033) 5.542 12.091 ( -6.040 0.000 -6.720) 9.035 12.523 ( 13.676 0.000 15.197) 20.445 13.721 ( -2.597 0.000 -1.167) 2.848 13.836 ( 0.596 0.000 0.034) 0.597 13.897 ( 0.667 0.000 -2.786) 2.865 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.761 ( -12.291 0.000 -0.644) 12.308 1.046 ( 7.318 0.000 7.228) 10.286 1.216 ( 6.966 0.000 5.674) 8.985 1.327 ( 1.290 0.000 4.419) 4.603 1.384 ( 4.073 0.000 -11.185) 11.904 1.695 ( 1.353 0.000 -9.265) 9.363 1.849 ( 0.359 0.000 -5.089) 5.101 1.925 ( 5.430 0.000 -0.162) 5.433 2.228 ( -0.557 0.000 9.348) 9.364 2.231 ( -4.872 0.000 4.656) 6.739 2.429 ( -4.541 0.000 -2.188) 5.041 2.521 ( 16.639 0.000 2.945) 16.898 2.547 ( -4.738 0.000 1.942) 5.121 2.804 ( -10.316 0.000 7.266) 12.618 3.005 ( 1.211 0.000 0.855) 1.482 3.061 ( -0.380 0.000 10.945) 10.951 3.068 ( -1.438 0.000 4.584) 4.804 3.212 ( -9.138 0.000 4.150) 10.036 3.494 ( -2.821 0.000 -4.335) 5.172 3.563 ( 0.379 0.000 0.125) 0.399 3.665 ( 11.979 0.000 -9.282) 15.154 3.856 ( -8.563 0.000 -0.739) 8.595 3.884 ( -1.199 0.000 5.235) 5.371 4.076 ( 1.586 0.000 5.962) 6.169 4.170 ( 8.109 0.000 -9.304) 12.342 4.374 ( 3.858 0.000 3.028) 4.904 4.573 ( -2.280 0.000 -11.103) 11.335 4.668 ( -3.041 0.000 0.258) 3.051 4.703 ( 2.868 0.000 3.021) 4.166 4.770 ( 1.705 0.000 1.609) 2.344 4.881 ( -2.339 0.000 -4.046) 4.673 4.896 ( -3.619 0.000 2.108) 4.188 5.149 ( 1.076 0.000 -1.722) 2.030 5.186 ( 3.834 0.000 -0.625) 3.885 5.237 ( -7.628 0.000 5.886) 9.635 5.715 ( -5.508 0.000 -3.606) 6.584 5.778 ( 3.857 0.000 2.113) 4.398 5.858 ( 2.240 0.000 4.118) 4.688 6.118 ( 3.465 0.000 0.881) 3.575 6.217 ( -4.319 0.000 0.208) 4.324 6.223 ( -6.790 0.000 -1.250) 6.904 6.310 ( -5.143 0.000 -0.077) 5.144 6.338 ( -2.591 0.000 -1.131) 2.827 6.358 ( -1.684 0.000 -2.608) 3.105 7.054 ( 8.347 0.000 4.046) 9.276 7.107 ( 0.643 0.000 -4.567) 4.612 7.425 ( 5.707 0.000 -2.767) 6.342 7.474 ( 1.215 0.000 -2.981) 3.219 10.862 ( 1.949 0.000 -0.094) 1.952 10.991 ( -0.420 0.000 -2.115) 2.156 11.228 ( 1.757 0.000 0.539) 1.838 11.285 ( 0.007 0.000 0.073) 0.073 11.319 ( -0.374 0.000 1.351) 1.402 11.368 ( -2.352 0.000 -3.269) 4.028 11.388 ( -1.107 0.000 -3.436) 3.611 11.912 ( -7.831 0.000 -4.480) 9.022 12.892 ( 13.082 0.000 12.341) 17.984 13.653 ( -3.489 0.000 -1.874) 3.960 13.846 ( 0.653 0.000 -0.253) 0.700 13.885 ( 0.260 0.000 -0.856) 0.895 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -11.113 0.000 -4.351) 11.935 1.204 ( 0.689 0.000 12.375) 12.394 1.261 ( -3.281 0.000 1.197) 3.492 1.341 ( 6.322 0.000 -12.067) 13.623 1.433 ( 5.108 0.000 2.053) 5.505 1.606 ( -0.056 0.000 -7.987) 7.987 1.796 ( -5.028 0.000 1.456) 5.234 1.941 ( -1.270 0.000 -1.323) 1.834 2.190 ( -2.350 0.000 -1.906) 3.026 2.226 ( -1.896 0.000 -1.295) 2.296 2.371 ( 1.712 0.000 -2.573) 3.091 2.638 ( 4.344 0.000 3.809) 5.777 2.687 ( 9.002 0.000 11.321) 14.463 2.901 ( -2.299 0.000 9.126) 9.412 2.982 ( -8.878 0.000 -1.810) 9.061 2.986 ( 1.420 0.000 -2.346) 2.742 3.173 ( -5.394 0.000 1.142) 5.514 3.247 ( 5.803 0.000 7.859) 9.769 3.409 ( -1.369 0.000 -2.907) 3.213 3.603 ( -0.759 0.000 5.567) 5.619 3.728 ( 9.646 0.000 -7.184) 12.028 3.802 ( 3.773 0.000 2.027) 4.283 3.910 ( -4.422 0.000 4.730) 6.475 4.166 ( 3.889 0.000 -8.017) 8.911 4.176 ( 2.068 0.000 5.969) 6.317 4.398 ( -7.543 0.000 -5.966) 9.617 4.454 ( 2.423 0.000 0.707) 2.524 4.554 ( -5.663 0.000 -6.123) 8.340 4.642 ( -6.950 0.000 2.750) 7.474 4.826 ( -0.855 0.000 -1.634) 1.844 4.841 ( 6.068 0.000 -1.645) 6.287 4.981 ( 5.418 0.000 2.649) 6.031 5.150 ( -8.779 0.000 4.528) 9.878 5.171 ( 3.567 0.000 -0.896) 3.678 5.217 ( 1.515 0.000 -1.980) 2.493 5.580 ( -5.975 0.000 -3.159) 6.759 5.840 ( 0.294 0.000 1.392) 1.423 5.921 ( 2.220 0.000 0.935) 2.409 6.123 ( -3.304 0.000 0.747) 3.387 6.144 ( -3.683 0.000 -0.303) 3.695 6.187 ( 1.090 0.000 3.267) 3.444 6.242 ( -2.087 0.000 -1.445) 2.539 6.299 ( -0.615 0.000 -1.454) 1.578 6.357 ( 1.079 0.000 -0.300) 1.120 7.073 ( 0.341 0.000 -2.416) 2.440 7.204 ( 5.526 0.000 2.821) 6.204 7.455 ( -0.100 0.000 -2.043) 2.045 7.464 ( 2.719 0.000 -2.164) 3.475 10.891 ( 1.482 0.000 0.118) 1.487 10.971 ( -0.096 0.000 -0.718) 0.725 11.255 ( 0.775 0.000 0.426) 0.884 11.281 ( -0.003 0.000 -1.472) 1.472 11.301 ( -0.884 0.000 -1.568) 1.801 11.304 ( -1.734 0.000 -1.732) 2.451 11.366 ( 0.361 0.000 -0.231) 0.428 11.775 ( -4.606 0.000 -1.992) 5.018 13.172 ( 7.743 0.000 7.627) 10.868 13.585 ( -2.475 0.000 -1.317) 2.804 13.849 ( 0.355 0.000 -0.527) 0.635 13.883 ( 0.085 0.000 -0.168) 0.188 ======================= Grid point 5 (6/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.399 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 -0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 -0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 -0.000) 0.000 2.881 ( -0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 -0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 -0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.829 ( -0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 -0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 -0.000) 0.000 4.220 ( -0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 -0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 -0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 -0.000) 0.000 5.088 ( -0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 -0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 -0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.222 ( -0.000 0.000 -0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.472 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 10.968 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 13.278 ( 0.000 0.000 0.000) 0.000 13.557 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 13.883 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 21.744 0.000) 21.744 0.470 ( 0.000 23.440 0.000) 23.440 0.860 ( 0.000 41.994 0.000) 41.994 1.242 ( 0.000 4.172 0.000) 4.172 1.382 ( 0.000 12.018 0.000) 12.018 1.387 ( 0.000 -0.508 0.000) 0.508 1.606 ( 0.000 -0.531 0.000) 0.531 2.046 ( 0.000 -0.777 0.000) 0.777 2.231 ( 0.000 -1.772 0.000) 1.772 2.320 ( 0.000 -13.118 0.000) 13.118 2.407 ( 0.000 -1.476 0.000) 1.476 2.496 ( 0.000 -9.229 0.000) 9.229 2.853 ( 0.000 -8.874 0.000) 8.874 3.002 ( 0.000 0.737 0.000) 0.737 3.015 ( 0.000 -4.452 0.000) 4.452 3.076 ( 0.000 7.272 0.000) 7.272 3.168 ( 0.000 5.415 0.000) 5.415 3.330 ( 0.000 4.578 0.000) 4.578 3.448 ( 0.000 4.197 0.000) 4.197 3.468 ( 0.000 -11.011 0.000) 11.011 3.579 ( 0.000 4.028 0.000) 4.028 3.929 ( 0.000 3.676 0.000) 3.676 4.025 ( 0.000 -0.310 0.000) 0.310 4.123 ( 0.000 1.608 0.000) 1.608 4.154 ( 0.000 -13.101 0.000) 13.101 4.225 ( 0.000 -2.528 0.000) 2.528 4.341 ( 0.000 4.759 0.000) 4.759 4.475 ( 0.000 -2.637 0.000) 2.637 4.605 ( 0.000 2.900 0.000) 2.900 4.724 ( 0.000 4.164 0.000) 4.164 4.855 ( 0.000 7.040 0.000) 7.040 4.952 ( 0.000 7.818 0.000) 7.818 5.132 ( 0.000 3.080 0.000) 3.080 5.227 ( 0.000 0.860 0.000) 0.860 5.307 ( 0.000 -5.348 0.000) 5.348 5.629 ( 0.000 -1.728 0.000) 1.728 5.795 ( 0.000 1.523 0.000) 1.523 5.969 ( 0.000 -4.730 0.000) 4.730 6.219 ( 0.000 -1.323 0.000) 1.323 6.417 ( 0.000 -6.201 0.000) 6.201 6.438 ( 0.000 -4.218 0.000) 4.218 6.449 ( 0.000 -2.151 0.000) 2.151 6.566 ( 0.000 -2.502 0.000) 2.502 6.651 ( 0.000 1.427 0.000) 1.427 6.694 ( 0.000 -1.439 0.000) 1.439 6.973 ( 0.000 0.579 0.000) 0.579 7.183 ( 0.000 6.484 0.000) 6.484 7.216 ( 0.000 -0.382 0.000) 0.382 10.824 ( 0.000 0.981 0.000) 0.981 10.996 ( 0.000 -4.982 0.000) 4.982 11.170 ( 0.000 0.954 0.000) 0.954 11.214 ( 0.000 4.579 0.000) 4.579 11.390 ( 0.000 3.197 0.000) 3.197 11.674 ( 0.000 -9.030 0.000) 9.030 11.719 ( 0.000 -1.312 0.000) 1.312 12.193 ( 0.000 16.480 0.000) 16.480 12.225 ( 0.000 -5.423 0.000) 5.423 13.697 ( 0.000 -4.639 0.000) 4.639 13.800 ( 0.000 1.478 0.000) 1.478 13.826 ( 0.000 0.062 0.000) 0.062 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 8.570 17.791 10.884) 22.548 0.672 ( 12.679 14.556 11.677) 22.560 1.062 ( 12.603 19.205 6.970) 24.006 1.275 ( 9.192 3.258 -2.892) 10.172 1.359 ( -5.035 15.092 10.412) 19.014 1.430 ( 3.044 0.110 -1.186) 3.269 1.574 ( 0.473 5.043 0.183) 5.069 2.017 ( -0.563 -2.812 -2.814) 4.017 2.251 ( -3.393 -3.404 -9.638) 10.769 2.308 ( -1.305 -10.939 0.334) 11.021 2.336 ( -3.581 -0.548 5.361) 6.471 2.529 ( -3.024 -4.865 10.919) 12.330 2.739 ( -3.274 -0.954 -3.168) 4.655 2.844 ( -6.921 -4.446 1.284) 8.326 2.911 ( -9.505 2.193 -3.465) 10.352 3.125 ( -9.397 1.262 0.079) 9.482 3.297 ( 6.021 -1.842 -0.241) 6.301 3.336 ( 6.464 2.189 6.825) 9.652 3.432 ( 0.309 0.606 -3.992) 4.050 3.547 ( 3.749 -2.643 -1.105) 4.718 3.625 ( 4.564 -0.604 -3.227) 5.623 3.807 ( -6.305 -2.307 -4.161) 7.899 4.004 ( -7.504 -6.930 1.011) 10.265 4.098 ( -6.364 -0.088 5.132) 8.176 4.167 ( -2.126 2.509 2.910) 4.391 4.348 ( 5.797 -0.541 4.301) 7.238 4.375 ( 5.145 2.554 1.217) 5.872 4.531 ( 4.863 -3.433 -1.190) 6.070 4.613 ( 1.969 -2.014 2.205) 3.577 4.723 ( 2.255 2.822 -0.797) 3.699 4.957 ( 1.949 3.278 -2.962) 4.829 4.996 ( 9.160 7.193 5.401) 12.838 5.114 ( -1.764 4.079 -0.247) 4.450 5.184 ( -6.525 -2.233 -0.640) 6.926 5.290 ( 0.355 -0.291 1.109) 1.200 5.643 ( 1.211 -1.285 0.875) 1.971 5.793 ( -0.136 -0.417 -0.703) 0.829 5.935 ( -6.122 5.148 3.323) 8.662 6.109 ( -1.350 -1.281 -12.671) 12.806 6.269 ( -1.957 0.888 2.568) 3.349 6.350 ( -6.511 -3.104 0.326) 7.221 6.445 ( -1.925 -1.856 -1.648) 3.142 6.520 ( -2.139 -4.300 -2.294) 5.322 6.657 ( -8.426 -0.632 -1.340) 8.556 6.703 ( 5.173 -0.258 2.289) 5.663 7.135 ( 3.034 -1.350 0.868) 3.432 7.271 ( 8.969 4.324 -1.792) 10.116 7.314 ( 10.450 -8.329 0.043) 13.363 10.829 ( 0.995 1.030 -0.335) 1.471 11.047 ( 1.471 -5.065 2.097) 5.676 11.149 ( -1.058 1.150 -0.002) 1.562 11.233 ( 1.871 2.216 -0.120) 2.903 11.393 ( -3.448 5.481 2.254) 6.856 11.430 ( -4.699 -1.919 -5.922) 7.800 11.851 ( -4.937 8.383 -6.221) 11.548 12.090 ( 14.716 -1.696 -9.725) 17.721 12.284 ( -8.346 5.006 16.340) 19.019 13.695 ( -1.640 -7.122 -0.378) 7.318 13.818 ( 0.468 -0.461 0.763) 1.007 13.856 ( 3.193 -1.674 -1.514) 3.910 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 2.223 11.338 10.880) 15.871 0.974 ( 10.289 10.054 8.294) 16.605 1.131 ( -0.486 3.607 0.995) 3.774 1.311 ( 1.053 -1.267 -1.105) 1.984 1.443 ( 3.080 4.599 -2.088) 5.916 1.615 ( 14.209 5.375 1.124) 15.233 1.752 ( 11.927 8.890 4.917) 15.667 1.970 ( -7.444 -5.523 -6.678) 11.424 2.075 ( 3.930 0.399 4.982) 6.358 2.267 ( -6.280 -3.509 -2.245) 7.536 2.291 ( 2.676 -6.279 -3.132) 7.510 2.611 ( -7.245 2.344 7.950) 11.008 2.653 ( -9.354 0.101 -4.872) 10.547 2.777 ( 1.660 -3.775 6.446) 7.652 2.868 ( 1.138 -2.307 9.812) 10.144 3.019 ( -6.710 4.988 4.876) 9.679 3.239 ( -14.585 -2.287 -4.773) 15.515 3.294 ( -5.393 -4.756 0.344) 7.199 3.481 ( 1.462 0.428 -2.475) 2.907 3.580 ( 1.062 -6.292 3.053) 7.074 3.651 ( 3.627 -4.166 -2.054) 5.893 3.738 ( 5.928 6.769 -4.735) 10.167 3.918 ( -1.033 -6.665 -3.198) 7.464 4.024 ( -8.432 -0.335 3.011) 8.960 4.158 ( -1.947 0.542 2.677) 3.355 4.442 ( 5.235 8.773 -1.468) 10.321 4.476 ( 2.244 -5.760 3.631) 7.169 4.599 ( 2.141 -3.241 1.261) 4.084 4.671 ( 1.573 -0.813 0.065) 1.772 4.757 ( 3.762 1.879 -1.531) 4.475 4.943 ( -0.185 -7.860 1.633) 8.030 5.030 ( -5.960 4.052 -2.710) 7.700 5.080 ( -1.888 7.512 -1.184) 7.835 5.222 ( 5.180 4.959 6.275) 9.529 5.305 ( 0.005 2.021 0.139) 2.026 5.685 ( 1.925 -0.851 2.114) 2.983 5.760 ( -1.537 -4.563 -3.744) 6.100 5.895 ( -1.618 7.884 2.302) 8.371 6.051 ( 3.660 -4.195 -4.312) 7.041 6.243 ( -7.347 -3.134 0.753) 8.023 6.278 ( -0.241 0.217 0.916) 0.971 6.371 ( -4.069 -1.225 -1.375) 4.466 6.440 ( -3.482 -1.886 -3.325) 5.171 6.496 ( -8.018 1.649 -2.137) 8.460 6.862 ( 8.650 -0.347 4.661) 9.832 7.149 ( 1.511 0.658 -3.131) 3.538 7.379 ( 7.498 3.260 -2.810) 8.646 7.417 ( 4.778 -5.111 -2.187) 7.330 10.848 ( 1.857 1.280 -0.305) 2.276 11.031 ( -1.279 -0.774 -3.155) 3.491 11.170 ( 1.369 -1.985 1.632) 2.912 11.255 ( 0.301 -1.059 -0.144) 1.110 11.316 ( -0.390 2.371 -1.318) 2.740 11.425 ( 0.278 4.653 1.305) 4.840 11.667 ( -5.305 10.057 -8.730) 14.335 12.088 ( -3.922 0.101 -5.277) 6.576 12.500 ( 9.821 -1.618 15.986) 18.831 13.640 ( -3.771 -8.624 -1.447) 9.523 13.832 ( 0.516 -0.300 0.390) 0.713 13.871 ( 1.050 -1.408 -1.172) 2.111 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -10.733 6.025 0.221) 12.311 1.123 ( 1.673 5.271 6.821) 8.781 1.249 ( 4.853 4.928 4.947) 8.504 1.381 ( -0.792 2.168 -0.980) 2.507 1.428 ( 9.526 6.688 -4.347) 12.424 1.699 ( -0.908 0.163 -6.985) 7.045 1.802 ( 2.131 -3.330 -4.715) 6.153 1.936 ( 8.241 0.061 -0.194) 8.244 2.158 ( -6.787 -3.704 2.803) 8.224 2.260 ( 1.008 -0.630 5.745) 5.866 2.380 ( 7.355 -7.302 -4.244) 11.200 2.481 ( -4.521 3.399 -1.008) 5.745 2.640 ( 5.367 5.451 4.160) 8.708 2.778 ( -9.535 -2.052 4.434) 10.714 2.948 ( -5.724 -4.904 4.417) 8.736 3.019 ( -6.403 -0.254 4.146) 7.632 3.093 ( 5.063 0.151 12.035) 13.057 3.183 ( -6.526 -5.116 -0.855) 8.336 3.457 ( 1.059 -3.198 -2.910) 4.452 3.624 ( -1.631 5.288 4.863) 7.367 3.652 ( 0.858 -1.603 -4.964) 5.287 3.824 ( 3.790 -8.835 4.261) 10.516 3.885 ( -1.957 -9.160 -1.993) 9.576 3.968 ( 4.636 10.835 -2.828) 12.120 4.163 ( -0.122 -2.054 0.843) 2.224 4.479 ( -2.720 -0.028 -3.081) 4.110 4.503 ( -1.118 -2.440 0.320) 2.703 4.522 ( -4.099 -11.614 0.872) 12.347 4.705 ( 2.175 0.736 -2.984) 3.765 4.825 ( -1.355 3.489 2.340) 4.415 4.899 ( -0.640 4.565 -1.435) 4.828 5.011 ( -0.436 -4.289 2.535) 5.001 5.045 ( 1.737 9.487 0.130) 9.645 5.216 ( -8.367 -2.649 1.550) 8.912 5.360 ( 5.445 9.643 -2.171) 11.285 5.672 ( -2.542 -3.871 -5.012) 6.824 5.745 ( 2.017 -1.294 2.526) 3.482 5.926 ( 3.376 3.512 -0.304) 4.881 6.091 ( 0.517 -3.602 2.409) 4.364 6.152 ( -4.258 -0.436 1.796) 4.642 6.260 ( -2.955 -0.963 -0.542) 3.155 6.326 ( -0.575 2.790 -1.108) 3.057 6.357 ( -3.704 1.819 -2.116) 4.637 6.377 ( -2.002 1.494 -1.717) 3.032 7.047 ( 7.760 -1.100 3.935) 8.770 7.133 ( 1.333 2.568 -2.630) 3.910 7.433 ( 3.119 -1.990 -3.521) 5.108 7.450 ( 3.520 0.869 -2.583) 4.452 10.878 ( 2.203 1.632 -0.157) 2.746 10.978 ( -0.788 -1.179 -2.971) 3.292 11.196 ( -0.297 -2.779 1.282) 3.075 11.253 ( 1.558 0.029 -1.325) 2.045 11.335 ( 3.063 2.698 -2.061) 4.572 11.436 ( -1.234 6.352 1.997) 6.772 11.511 ( -3.721 6.990 -6.200) 10.057 11.941 ( -7.960 3.685 -2.703) 9.179 12.830 ( 11.224 -6.305 12.158) 17.707 13.555 ( -4.342 -10.080 -1.891) 11.137 13.842 ( 0.524 -0.342 -0.063) 0.629 13.873 ( 0.267 -0.913 -0.241) 0.982 ======================= Grid point 15 (11/160) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -9.596 7.766 -4.748) 13.226 1.216 ( -3.489 1.196 7.025) 7.934 1.311 ( 2.575 3.947 1.125) 4.846 1.334 ( 3.938 2.319 -2.022) 4.997 1.550 ( 5.636 9.060 -3.068) 11.102 1.626 ( -1.437 1.651 -3.389) 4.034 1.808 ( -2.536 1.640 0.470) 3.057 1.960 ( 0.471 1.806 -1.358) 2.309 2.120 ( -1.442 -5.202 1.751) 5.675 2.239 ( -2.944 -0.400 -5.770) 6.490 2.376 ( 0.702 0.320 -4.835) 4.896 2.551 ( 7.381 -8.388 8.194) 13.856 2.659 ( 5.762 -3.369 1.372) 6.814 2.824 ( -8.392 -5.637 0.503) 10.123 2.873 ( -0.737 -4.566 5.182) 6.946 3.047 ( -0.959 -1.606 3.624) 4.079 3.082 ( -4.208 -1.209 -1.551) 4.645 3.300 ( 2.553 0.380 8.777) 9.149 3.436 ( 0.144 -1.033 -0.818) 1.325 3.552 ( -2.559 -3.713 -3.031) 5.433 3.723 ( 2.547 1.958 3.942) 5.086 3.841 ( 0.078 -0.826 4.009) 4.093 3.942 ( 6.766 -8.325 -2.529) 11.022 4.046 ( 4.339 7.338 1.877) 8.730 4.154 ( -1.492 -5.033 -0.395) 5.264 4.342 ( -5.794 -6.951 -1.504) 9.173 4.458 ( -3.568 -8.977 -4.271) 10.562 4.517 ( -0.929 2.384 1.192) 2.822 4.661 ( -2.805 -0.014 1.795) 3.330 4.793 ( 0.088 5.119 -3.924) 6.450 4.885 ( -0.252 3.482 -2.964) 4.579 5.009 ( -2.916 -6.035 2.456) 7.139 5.077 ( -6.674 0.581 -0.365) 6.709 5.153 ( 4.785 3.082 3.972) 6.940 5.403 ( 4.866 10.977 -3.430) 12.488 5.583 ( -3.223 0.926 -3.202) 4.637 5.784 ( 0.205 -2.620 0.890) 2.774 5.983 ( 4.921 -0.490 -1.744) 5.244 6.062 ( -5.709 1.172 4.792) 7.545 6.187 ( 1.144 -0.073 2.454) 2.709 6.202 ( -2.414 0.252 -1.052) 2.645 6.270 ( -1.826 2.358 -0.860) 3.104 6.307 ( -0.385 1.838 -1.477) 2.390 6.387 ( 1.370 3.240 -1.211) 3.720 7.110 ( 1.159 3.091 -0.497) 3.339 7.217 ( 5.524 1.321 2.983) 6.415 7.422 ( -0.042 -3.485 -2.311) 4.182 7.462 ( 1.739 0.519 -2.989) 3.497 10.909 ( 1.535 1.778 0.105) 2.351 10.946 ( -0.099 -1.855 -1.617) 2.463 11.198 ( -0.675 -2.737 0.826) 2.938 11.266 ( 1.178 0.587 -1.694) 2.145 11.331 ( 1.337 2.723 -3.877) 4.923 11.429 ( -1.818 7.064 0.545) 7.314 11.445 ( 0.114 7.826 -0.178) 7.828 11.806 ( -5.701 3.670 -1.259) 6.896 13.085 ( 6.880 -8.917 7.194) 13.364 13.476 ( -2.999 -11.185 -1.315) 11.654 13.846 ( 0.324 -0.301 -0.324) 0.548 13.875 ( 0.030 -0.760 0.103) 0.768 ======================= Grid point 16 (12/160) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.000 8.963 0.000) 8.963 1.193 ( 0.000 -1.079 0.000) 1.079 1.376 ( 0.000 4.572 0.000) 4.572 1.412 ( 0.000 7.643 -0.000) 7.643 1.543 ( 0.000 4.594 -0.000) 4.594 1.561 ( 0.000 2.581 0.000) 2.581 1.773 ( 0.000 4.658 0.000) 4.658 1.957 ( 0.000 3.776 0.000) 3.776 2.129 ( 0.000 -2.695 -0.000) 2.695 2.179 ( 0.000 -4.104 0.000) 4.104 2.369 ( 0.000 -2.005 0.000) 2.005 2.680 ( -0.000 -5.293 0.000) 5.293 2.702 ( 0.000 -11.781 -0.000) 11.781 2.827 ( -0.000 -11.207 0.000) 11.207 2.875 ( 0.000 -0.526 0.000) 0.526 3.000 ( 0.000 -4.266 0.000) 4.266 3.038 ( -0.000 5.804 0.000) 5.804 3.329 ( 0.000 1.882 0.000) 1.882 3.484 ( 0.000 -10.539 -0.000) 10.539 3.498 ( 0.000 4.197 0.000) 4.197 3.743 ( 0.000 -8.927 0.000) 8.927 3.967 ( -0.172 -1.094 -3.843) 3.999 3.967 ( 0.172 8.490 3.842) 9.320 4.037 ( -0.000 -5.011 0.000) 5.011 4.222 ( -0.000 0.688 -0.000) 0.688 4.238 ( 0.000 -5.027 0.000) 5.027 4.375 ( -0.000 -8.784 -0.000) 8.784 4.509 ( 0.000 2.842 -0.000) 2.842 4.676 ( 0.000 4.307 -0.000) 4.307 4.754 ( -0.000 2.947 0.000) 2.947 4.885 ( 0.000 -7.073 0.000) 7.073 4.928 ( -0.000 -6.345 0.000) 6.345 5.060 ( 0.000 3.577 0.000) 3.577 5.221 ( 0.000 3.277 0.000) 3.277 5.442 ( 0.000 12.668 -0.000) 12.668 5.519 ( -0.000 1.877 0.000) 1.877 5.785 ( 0.000 -2.691 0.000) 2.691 6.021 ( 0.000 -5.537 -0.000) 5.537 6.040 ( -0.000 6.914 0.000) 6.914 6.175 ( -0.000 2.656 0.000) 2.656 6.198 ( 0.000 -0.514 -0.000) 0.514 6.263 ( 0.000 -2.239 0.000) 2.239 6.310 ( 0.000 6.177 0.000) 6.177 6.376 ( 0.000 1.728 0.000) 1.728 7.121 ( 0.000 5.842 0.000) 5.842 7.286 ( 0.000 0.909 0.000) 0.909 7.401 ( 0.000 -3.688 0.000) 3.688 7.455 ( 0.000 -0.966 0.000) 0.966 10.923 ( 0.000 1.821 -0.000) 1.821 10.937 ( 0.000 -2.226 0.000) 2.226 11.197 ( 0.000 -2.498 0.000) 2.498 11.255 ( 0.000 0.328 0.000) 0.328 11.329 ( 0.000 3.476 -0.000) 3.476 11.411 ( -0.000 7.624 0.000) 7.624 11.454 ( 0.000 8.513 0.000) 8.513 11.752 ( -0.000 2.649 0.000) 2.649 13.182 ( 0.000 -9.830 0.000) 9.830 13.443 ( -0.000 -11.694 0.000) 11.694 13.847 ( 0.000 -0.187 0.000) 0.187 13.876 ( 0.000 -0.727 0.000) 0.727 ======================= Grid point 22 (13/160) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 18.615 0.000) 18.615 0.872 ( 0.000 18.473 0.000) 18.473 1.237 ( 0.000 -2.932 0.000) 2.932 1.309 ( 0.000 5.220 0.000) 5.220 1.491 ( 0.000 -2.531 0.000) 2.531 1.702 ( 0.000 10.302 0.000) 10.302 1.731 ( 0.000 31.566 0.000) 31.566 2.061 ( 0.000 4.115 0.000) 4.115 2.110 ( 0.000 -6.045 0.000) 6.045 2.154 ( 0.000 -6.209 0.000) 6.209 2.341 ( 0.000 -6.034 0.000) 6.034 2.365 ( 0.000 -4.567 0.000) 4.567 2.676 ( 0.000 -8.783 0.000) 8.783 2.889 ( 0.000 -6.595 0.000) 6.595 2.973 ( 0.000 -2.873 0.000) 2.873 3.209 ( 0.000 6.528 0.000) 6.528 3.241 ( 0.000 1.405 0.000) 1.405 3.266 ( 0.000 -8.639 0.000) 8.639 3.390 ( 0.000 3.613 0.000) 3.613 3.621 ( 0.000 7.819 0.000) 7.819 3.718 ( 0.000 9.452 0.000) 9.452 3.888 ( 0.000 -9.453 0.000) 9.453 3.925 ( 0.000 -7.680 0.000) 7.680 3.987 ( 0.000 1.477 0.000) 1.477 4.190 ( 0.000 -1.819 0.000) 1.819 4.205 ( 0.000 6.696 0.000) 6.696 4.440 ( 0.000 -0.694 0.000) 0.694 4.470 ( 0.000 5.674 0.000) 5.674 4.665 ( 0.000 2.757 0.000) 2.757 4.773 ( 0.000 1.664 0.000) 1.664 4.988 ( 0.000 -3.429 0.000) 3.429 5.007 ( 0.000 6.549 0.000) 6.549 5.143 ( 0.000 -7.013 0.000) 7.013 5.267 ( 0.000 9.273 0.000) 9.273 5.312 ( 0.000 4.470 0.000) 4.470 5.575 ( 0.000 -4.563 0.000) 4.563 5.808 ( 0.000 -0.504 0.000) 0.504 5.811 ( 0.000 -10.666 0.000) 10.666 6.198 ( 0.000 -0.496 0.000) 0.496 6.245 ( 0.000 -6.993 0.000) 6.993 6.399 ( 0.000 -2.851 0.000) 2.851 6.410 ( 0.000 -0.800 0.000) 0.800 6.521 ( 0.000 -3.035 0.000) 3.035 6.632 ( 0.000 -5.078 0.000) 5.078 6.725 ( 0.000 5.806 0.000) 5.806 7.002 ( 0.000 2.231 0.000) 2.231 7.205 ( 0.000 -0.616 0.000) 0.616 7.281 ( 0.000 3.265 0.000) 3.265 10.847 ( 0.000 1.337 0.000) 1.337 10.925 ( 0.000 -2.470 0.000) 2.470 11.196 ( 0.000 1.765 0.000) 1.765 11.293 ( 0.000 3.745 0.000) 3.745 11.458 ( 0.000 3.305 0.000) 3.305 11.540 ( 0.000 -4.438 0.000) 4.438 11.684 ( 0.000 -2.274 0.000) 2.274 12.081 ( 0.000 -9.451 0.000) 9.451 12.528 ( 0.000 18.248 0.000) 18.248 13.582 ( 0.000 -7.545 0.000) 7.545 13.822 ( 0.000 0.864 0.000) 0.864 13.828 ( 0.000 0.166 0.000) 0.166 ======================= Grid point 23 (14/160) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 4.158 11.347 7.605) 14.279 0.971 ( 8.880 16.468 4.104) 19.154 1.223 ( -4.322 -1.024 5.389) 6.984 1.306 ( -0.560 1.161 -6.114) 6.249 1.478 ( 7.507 4.318 -3.845) 9.476 1.678 ( -5.063 7.340 5.388) 10.418 1.875 ( 10.140 26.763 6.761) 29.407 1.968 ( -3.049 -1.781 -7.369) 8.171 2.111 ( 1.017 -2.190 -6.071) 6.533 2.210 ( -2.228 -2.143 5.168) 6.022 2.290 ( -0.766 -4.771 -5.566) 7.371 2.437 ( 1.087 -5.343 12.534) 13.669 2.653 ( -2.938 -7.091 -0.931) 7.732 2.787 ( -3.730 0.277 -2.274) 4.378 2.901 ( -3.000 -6.187 -5.462) 8.781 3.095 ( -3.663 1.335 -2.935) 4.881 3.274 ( -0.184 -5.789 2.201) 6.196 3.347 ( -2.074 2.421 7.432) 8.087 3.445 ( -4.850 2.904 2.856) 6.333 3.575 ( -7.465 -5.064 -8.012) 12.065 3.627 ( 0.046 5.701 2.996) 6.440 3.847 ( 7.686 7.124 -4.678) 11.477 3.896 ( -4.490 -4.409 -1.921) 6.580 4.136 ( -4.626 1.476 2.341) 5.391 4.154 ( -8.130 -1.999 6.675) 10.708 4.230 ( 6.862 -3.139 11.619) 13.854 4.397 ( -2.794 -3.200 1.578) 4.532 4.540 ( 2.832 0.897 0.821) 3.082 4.662 ( 3.338 6.192 -3.915) 8.050 4.780 ( 1.472 2.004 -1.233) 2.775 4.932 ( -3.556 -3.580 -2.796) 5.769 5.110 ( 6.465 0.280 3.932) 7.573 5.136 ( 0.337 0.753 -0.245) 0.860 5.274 ( 2.296 9.442 -2.517) 10.038 5.326 ( 1.819 4.217 0.435) 4.613 5.586 ( 0.526 -6.621 0.195) 6.645 5.736 ( -0.948 -5.178 -5.154) 7.367 5.869 ( 2.058 -5.412 2.081) 6.153 6.118 ( -5.401 1.263 -2.479) 6.076 6.251 ( 0.763 -1.904 -1.151) 2.352 6.346 ( -7.113 0.562 2.591) 7.591 6.400 ( -1.034 -1.735 -1.273) 2.387 6.448 ( -0.965 -3.193 -3.975) 5.189 6.604 ( -4.029 -4.188 -1.990) 6.143 6.757 ( 3.054 4.991 2.160) 6.238 7.098 ( 4.710 -1.756 2.462) 5.597 7.243 ( 5.592 -0.735 0.178) 5.642 7.344 ( 7.429 2.545 -1.529) 8.000 10.854 ( 1.242 1.531 -0.270) 1.990 10.962 ( 2.172 -3.194 2.005) 4.352 11.184 ( -1.200 2.160 -0.187) 2.478 11.283 ( -0.397 2.544 -1.111) 2.805 11.412 ( -3.235 0.201 -4.957) 5.922 11.492 ( 1.671 4.837 1.055) 5.225 11.844 ( 6.846 -4.737 2.843) 8.797 12.004 ( 2.761 -7.523 -11.595) 14.095 12.513 ( -8.282 16.098 10.031) 20.697 13.537 ( -5.302 -9.101 0.100) 10.533 13.822 ( -0.012 0.504 0.622) 0.801 13.845 ( 1.459 -0.168 -0.546) 1.567 ======================= Grid point 24 (15/160) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -3.050 1.799 8.187) 8.920 1.160 ( -1.845 9.623 2.207) 10.043 1.222 ( 10.554 7.115 0.443) 12.736 1.284 ( 1.762 0.069 9.476) 9.639 1.576 ( 5.463 6.404 -9.901) 12.996 1.696 ( 2.600 0.122 8.839) 9.215 1.824 ( -2.635 -0.052 -9.144) 9.516 1.961 ( -7.340 4.896 -10.454) 13.680 2.089 ( 7.730 -3.428 -3.112) 9.011 2.210 ( -2.123 -1.702 1.370) 3.047 2.266 ( 8.126 9.828 1.292) 12.817 2.571 ( 0.156 -3.219 1.541) 3.572 2.672 ( -1.181 -1.820 10.425) 10.649 2.737 ( -6.613 -0.974 2.179) 7.031 2.842 ( 3.269 0.875 5.641) 6.578 3.061 ( 0.353 -3.002 -1.107) 3.219 3.213 ( -12.632 0.867 -0.842) 12.689 3.263 ( -15.689 4.501 0.348) 16.325 3.368 ( -0.444 -11.665 -5.139) 12.755 3.395 ( -1.556 -8.285 4.390) 9.505 3.703 ( -0.756 4.290 4.713) 6.418 3.809 ( -1.085 0.365 -3.304) 3.497 3.895 ( -1.245 4.642 -1.286) 4.975 4.095 ( -2.228 1.136 2.366) 3.443 4.106 ( -1.981 -0.409 3.153) 3.746 4.362 ( -5.860 -9.424 3.239) 11.561 4.406 ( -0.894 -4.891 7.327) 8.854 4.572 ( -5.973 -1.841 -2.712) 6.813 4.646 ( 5.154 -1.670 4.437) 7.003 4.793 ( 2.249 1.417 -2.607) 3.723 4.925 ( 4.259 4.923 0.092) 6.510 5.100 ( -2.201 4.381 -1.806) 5.225 5.220 ( -0.253 -2.022 1.142) 2.336 5.259 ( -0.912 5.341 -2.395) 5.924 5.401 ( 7.619 6.597 -0.759) 10.106 5.581 ( 2.222 -9.481 -3.164) 10.239 5.709 ( 1.580 0.222 -0.695) 1.740 5.922 ( 1.213 -5.144 2.870) 6.014 6.032 ( -0.934 3.863 -3.920) 5.582 6.221 ( -3.311 0.152 -0.598) 3.368 6.297 ( -1.317 0.817 1.064) 1.880 6.363 ( -0.835 0.683 -1.555) 1.892 6.403 ( -0.219 -1.615 -2.847) 3.280 6.500 ( -5.100 -0.995 -2.204) 5.644 6.871 ( 6.285 1.588 4.082) 7.661 7.145 ( 1.785 -1.293 -0.724) 2.320 7.346 ( 5.937 -1.329 -1.215) 6.204 7.441 ( 6.907 2.380 -2.419) 7.696 10.880 ( 2.290 1.935 -0.231) 3.007 10.992 ( 0.351 -2.345 -1.432) 2.770 11.171 ( -0.073 1.864 0.206) 1.876 11.266 ( 0.509 1.584 -1.262) 2.088 11.362 ( 2.070 2.534 -2.683) 4.231 11.542 ( 1.723 6.616 2.361) 7.233 11.747 ( -4.711 -1.612 -11.124) 12.187 12.085 ( 7.316 -2.226 -2.630) 8.087 12.522 ( -5.566 5.701 14.741) 16.756 13.431 ( -7.426 -12.318 -0.560) 14.394 13.830 ( 0.113 0.079 0.513) 0.532 13.855 ( 0.497 -0.511 -0.291) 0.770 ======================= Grid point 25 (16/160) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -8.890 6.464 -0.243) 10.994 1.178 ( 0.793 0.759 6.379) 6.473 1.383 ( -3.255 1.075 3.305) 4.762 1.421 ( 5.076 8.871 -1.188) 10.290 1.565 ( 8.496 4.549 -0.161) 9.639 1.678 ( -4.509 -2.590 -1.606) 5.442 1.784 ( 2.179 3.002 -4.983) 6.212 1.918 ( 11.058 -1.567 1.900) 11.329 2.111 ( -1.040 -0.583 -3.400) 3.603 2.218 ( 6.319 -3.650 -4.518) 8.583 2.315 ( -2.625 2.887 -3.258) 5.083 2.523 ( -3.675 0.040 -0.625) 3.728 2.722 ( 2.383 0.439 3.301) 4.095 2.777 ( -8.738 3.468 -0.162) 9.403 2.869 ( -4.822 -2.669 3.948) 6.780 2.998 ( -10.936 -5.602 -4.621) 13.127 3.066 ( 3.808 -0.720 5.534) 6.756 3.135 ( -3.350 2.811 12.112) 12.878 3.330 ( 1.303 -9.004 -2.206) 9.362 3.512 ( 4.844 -12.221 5.418) 14.218 3.650 ( -6.260 -2.205 -2.278) 7.017 3.773 ( -4.638 3.072 3.182) 6.409 3.850 ( -1.734 4.180 2.280) 5.068 4.084 ( -2.836 -5.338 2.758) 6.644 4.152 ( 2.971 1.188 -0.722) 3.280 4.262 ( -9.595 -8.812 2.946) 13.357 4.389 ( -3.206 -4.242 -1.408) 5.501 4.484 ( -3.812 -3.116 3.992) 6.338 4.761 ( 0.397 4.013 -4.074) 5.732 4.815 ( 3.947 -3.716 4.691) 7.169 4.979 ( -2.249 2.174 2.071) 3.751 5.041 ( -0.481 6.456 -2.477) 6.932 5.139 ( -4.208 -3.140 -1.441) 5.445 5.242 ( 0.304 8.208 -1.564) 8.361 5.503 ( 7.251 5.085 -3.068) 9.373 5.606 ( 4.560 -2.318 -3.893) 6.428 5.742 ( 0.857 0.895 2.390) 2.692 5.931 ( -1.183 -2.414 -1.715) 3.188 6.033 ( 3.300 -1.663 1.002) 3.829 6.178 ( -2.535 2.193 2.121) 3.967 6.259 ( -1.799 0.763 -3.724) 4.206 6.344 ( -0.463 -0.672 -2.122) 2.273 6.399 ( -1.075 2.496 -1.295) 3.011 6.426 ( 1.493 3.086 -0.197) 3.433 7.012 ( 5.761 -1.874 3.016) 6.768 7.180 ( 2.820 1.154 2.058) 3.677 7.385 ( 2.895 -0.828 -4.353) 5.293 7.499 ( 3.814 2.785 -2.853) 5.517 10.917 ( 2.601 2.196 -0.326) 3.419 10.959 ( -0.398 -0.490 -3.180) 3.242 11.173 ( -0.284 0.394 0.218) 0.532 11.281 ( 2.885 2.509 -1.485) 4.101 11.387 ( 3.330 2.443 -3.014) 5.113 11.580 ( 0.069 3.012 -4.548) 5.456 11.587 ( -1.899 6.397 0.481) 6.690 12.063 ( -5.892 8.122 -1.393) 10.130 12.671 ( 4.177 -9.418 11.931) 15.764 13.301 ( -7.421 -15.646 -1.218) 17.359 13.835 ( 0.144 -0.285 0.199) 0.376 13.857 ( -0.114 -0.729 0.247) 0.778 ======================= Grid point 26 (17/160) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -6.742 9.248 -4.987) 12.484 1.233 ( -2.868 -0.022 1.065) 3.059 1.377 ( 6.200 2.561 1.191) 6.813 1.429 ( -0.911 5.789 4.121) 7.164 1.635 ( -0.483 1.665 0.558) 1.821 1.738 ( 5.691 8.010 1.630) 9.960 1.864 ( 1.129 3.370 0.722) 3.627 2.003 ( 0.423 2.653 -2.938) 3.981 2.030 ( 0.757 -2.825 1.599) 3.333 2.221 ( 0.365 -0.506 -8.296) 8.320 2.370 ( 6.687 -2.402 1.282) 7.220 2.413 ( -1.130 -2.797 -5.937) 6.660 2.563 ( -4.697 -4.941 -2.418) 7.234 2.757 ( -8.916 -4.584 -0.718) 10.051 2.793 ( -3.410 -2.646 5.893) 7.305 2.957 ( 2.037 -3.990 1.740) 4.806 3.132 ( 0.983 1.169 -0.380) 1.574 3.252 ( -4.048 -3.390 10.673) 11.908 3.341 ( 1.753 -8.130 -1.046) 8.382 3.495 ( -4.003 -4.130 -0.480) 5.772 3.591 ( 0.896 -10.707 -5.176) 11.926 3.783 ( -1.302 -3.806 7.415) 8.436 3.915 ( 3.795 1.645 4.856) 6.379 4.041 ( -4.866 -5.729 -0.230) 7.520 4.145 ( -3.890 -9.250 6.530) 11.972 4.212 ( 2.977 -1.077 -4.650) 5.625 4.326 ( -3.652 1.548 -0.612) 4.013 4.494 ( -2.452 -3.730 6.115) 7.570 4.704 ( -0.418 3.244 -3.183) 4.563 4.830 ( -5.130 -4.917 -2.336) 7.480 4.929 ( -0.341 7.333 0.287) 7.347 5.032 ( -1.131 7.400 -0.801) 7.529 5.117 ( 0.592 3.050 0.125) 3.109 5.247 ( 1.704 4.813 0.473) 5.128 5.561 ( 4.671 5.260 -4.100) 8.142 5.622 ( 2.180 2.641 -2.060) 3.996 5.766 ( -0.920 0.699 1.411) 1.823 5.906 ( 0.533 -4.634 -0.952) 4.761 6.101 ( 0.812 -1.014 3.697) 3.919 6.179 ( 0.739 -0.262 -0.223) 0.815 6.202 ( -0.425 1.045 -1.713) 2.051 6.288 ( -2.890 0.382 -2.335) 3.735 6.379 ( 0.541 4.430 0.555) 4.497 6.460 ( 1.510 3.783 -2.363) 4.709 7.124 ( 4.477 -1.892 4.159) 6.397 7.277 ( 3.743 2.132 4.287) 6.077 7.348 ( -0.252 -0.950 -6.229) 6.306 7.501 ( 0.745 3.222 -3.051) 4.499 10.925 ( -0.156 0.073 -1.857) 1.865 10.950 ( 1.824 1.997 -0.502) 2.751 11.169 ( -0.170 -0.367 -0.029) 0.406 11.289 ( 0.252 0.941 -3.169) 3.315 11.391 ( 3.216 4.105 -2.299) 5.699 11.575 ( 1.275 6.070 0.103) 6.203 11.599 ( 1.295 9.912 1.157) 10.063 11.927 ( -8.731 8.936 -0.336) 12.497 12.849 ( 4.541 -15.319 6.370) 17.201 13.185 ( -5.103 -18.564 -1.073) 19.282 13.839 ( 0.194 -0.405 0.024) 0.450 13.858 ( -0.245 -0.969 0.343) 1.057 ======================= Grid point 27 (18/160) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 11.174 0.000) 11.174 1.201 ( 0.000 1.156 0.000) 1.156 1.475 ( -0.000 4.507 0.000) 4.507 1.481 ( 0.000 -1.077 -0.000) 1.077 1.645 ( 0.000 6.965 -0.000) 6.965 1.687 ( 0.000 10.383 0.000) 10.383 1.893 ( 0.000 6.616 -0.000) 6.616 2.028 ( 0.000 2.023 0.000) 2.023 2.082 ( 0.000 -0.804 -0.000) 0.804 2.104 ( 0.000 -2.207 0.000) 2.207 2.334 ( 0.000 -0.856 -0.000) 0.856 2.496 ( 0.000 -8.181 -0.000) 8.181 2.571 ( -0.000 -5.722 -0.000) 5.722 2.610 ( 0.000 -10.939 0.000) 10.939 2.884 ( 0.000 0.704 -0.000) 0.704 2.909 ( 0.000 -5.491 0.000) 5.491 3.145 ( -0.000 4.374 0.000) 4.374 3.228 ( 0.000 -10.734 -0.000) 10.734 3.351 ( 0.000 -6.465 0.000) 6.465 3.487 ( 0.000 -5.579 0.000) 5.579 3.566 ( -0.000 -7.508 0.000) 7.508 3.844 ( 0.000 -5.574 0.000) 5.574 3.906 ( 0.000 -5.286 -0.000) 5.286 4.047 ( 0.000 -10.907 0.000) 10.907 4.169 ( 0.000 -11.101 0.000) 11.101 4.229 ( 0.000 -1.380 -0.000) 1.380 4.261 ( -0.000 12.475 0.000) 12.475 4.515 ( 0.000 -3.747 0.000) 3.747 4.704 ( 0.000 -5.357 -0.000) 5.357 4.739 ( 0.000 6.045 0.000) 6.045 4.935 ( 0.000 8.556 0.000) 8.556 5.003 ( 0.000 11.876 0.000) 11.876 5.126 ( 0.000 2.827 0.000) 2.827 5.274 ( 0.000 1.490 -0.000) 1.490 5.566 ( 0.000 2.820 0.000) 2.820 5.637 ( -0.000 7.514 0.000) 7.514 5.759 ( 0.000 -0.286 0.000) 0.286 5.911 ( 0.000 -5.727 0.000) 5.727 6.123 ( -0.000 -0.202 0.000) 0.202 6.191 ( -0.000 -2.833 -0.000) 2.833 6.203 ( -0.000 2.210 0.000) 2.210 6.234 ( 0.000 1.285 0.000) 1.285 6.421 ( 0.000 2.929 -0.000) 2.929 6.422 ( 0.000 5.496 0.000) 5.496 7.239 ( 0.000 1.789 0.000) 1.789 7.257 ( -0.000 -4.049 -0.000) 4.049 7.343 ( 0.000 1.920 0.000) 1.920 7.479 ( 0.000 3.510 -0.000) 3.510 10.914 ( 0.000 0.070 -0.000) 0.070 10.962 ( 0.000 1.851 0.000) 1.851 11.168 ( 0.000 -0.634 0.000) 0.634 11.263 ( 0.000 -0.059 0.000) 0.059 11.420 ( 0.000 6.598 -0.000) 6.598 11.566 ( -0.000 8.345 -0.000) 8.345 11.647 ( 0.000 11.289 0.000) 11.289 11.836 ( -0.000 6.331 0.000) 6.331 12.925 ( 0.000 -16.551 0.000) 16.551 13.135 ( 0.000 -20.093 0.000) 20.093 13.841 ( 0.000 -0.384 0.000) 0.384 13.858 ( 0.000 -1.089 0.000) 1.089 ======================= Grid point 33 (19/160) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 6.983 0.000) 6.983 1.142 ( 0.000 10.834 0.000) 10.834 1.161 ( 0.000 -3.655 0.000) 3.655 1.363 ( 0.000 0.278 0.000) 0.278 1.501 ( 0.000 7.780 0.000) 7.780 1.812 ( 0.000 2.206 0.000) 2.206 1.952 ( 0.000 -6.306 0.000) 6.306 2.032 ( 0.000 -5.206 0.000) 5.206 2.130 ( 0.000 6.075 0.000) 6.075 2.194 ( 0.000 -3.730 0.000) 3.730 2.314 ( 0.000 -1.761 0.000) 1.761 2.322 ( 0.000 8.299 0.000) 8.299 2.546 ( 0.000 -1.115 0.000) 1.115 2.865 ( 0.000 -10.125 0.000) 10.125 2.935 ( 0.000 13.308 0.000) 13.308 3.124 ( 0.000 -1.849 0.000) 1.849 3.298 ( 0.000 3.915 0.000) 3.915 3.332 ( 0.000 5.515 0.000) 5.515 3.422 ( 0.000 0.058 0.000) 0.058 3.610 ( 0.000 -6.508 0.000) 6.508 3.720 ( 0.000 -7.359 0.000) 7.359 3.849 ( 0.000 -6.116 0.000) 6.116 3.964 ( 0.000 14.332 0.000) 14.332 4.017 ( 0.000 2.906 0.000) 2.906 4.176 ( 0.000 1.677 0.000) 1.677 4.344 ( 0.000 7.150 0.000) 7.150 4.485 ( 0.000 5.860 0.000) 5.860 4.521 ( 0.000 -0.035 0.000) 0.035 4.666 ( 0.000 -5.006 0.000) 5.006 4.771 ( 0.000 -2.636 0.000) 2.636 4.876 ( 0.000 -5.753 0.000) 5.753 4.951 ( 0.000 -7.623 0.000) 7.623 5.169 ( 0.000 5.829 0.000) 5.829 5.401 ( 0.000 3.995 0.000) 3.995 5.405 ( 0.000 0.544 0.000) 0.544 5.430 ( 0.000 -5.477 0.000) 5.477 5.692 ( 0.000 -0.675 0.000) 0.675 5.778 ( 0.000 -2.375 0.000) 2.375 6.177 ( 0.000 -0.658 0.000) 0.658 6.204 ( 0.000 0.628 0.000) 0.628 6.356 ( 0.000 -1.134 0.000) 1.134 6.400 ( 0.000 -0.239 0.000) 0.239 6.451 ( 0.000 -4.016 0.000) 4.016 6.518 ( 0.000 -6.244 0.000) 6.244 6.850 ( 0.000 6.875 0.000) 6.875 7.027 ( 0.000 -0.681 0.000) 0.681 7.209 ( 0.000 1.636 0.000) 1.636 7.303 ( 0.000 -0.821 0.000) 0.821 10.870 ( 0.000 1.051 0.000) 1.051 10.897 ( 0.000 -0.781 0.000) 0.781 11.236 ( 0.000 2.339 0.000) 2.339 11.327 ( 0.000 -1.008 0.000) 1.008 11.498 ( 0.000 3.441 0.000) 3.441 11.554 ( 0.000 4.289 0.000) 4.289 11.635 ( 0.000 -2.841 0.000) 2.841 11.882 ( 0.000 -11.043 0.000) 11.043 12.868 ( 0.000 17.161 0.000) 17.161 13.408 ( 0.000 -10.896 0.000) 10.896 13.832 ( 0.000 0.230 0.000) 0.230 13.833 ( 0.000 0.316 0.000) 0.316 ======================= Grid point 34 (20/160) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.577 4.252 -2.489) 5.173 1.155 ( -0.911 -2.611 4.135) 4.974 1.235 ( 5.276 7.910 3.848) 10.257 1.314 ( 0.160 0.910 -3.279) 3.407 1.583 ( 8.970 7.504 -2.982) 12.069 1.781 ( -9.278 4.131 7.892) 12.862 1.876 ( 0.546 -4.745 -7.816) 9.160 2.049 ( 1.953 -3.882 -1.608) 4.633 2.150 ( -2.548 -4.061 -4.918) 6.869 2.221 ( -0.647 2.743 -2.548) 3.800 2.344 ( 6.088 -0.837 11.530) 13.066 2.415 ( 5.784 9.964 6.398) 13.178 2.525 ( -1.750 -3.669 -1.052) 4.198 2.764 ( -7.400 -4.317 -2.648) 8.968 2.935 ( 2.708 12.525 -3.576) 13.304 3.124 ( -1.875 -3.319 2.375) 4.491 3.147 ( -2.219 1.850 -7.683) 8.208 3.354 ( -4.238 -3.888 1.662) 5.987 3.436 ( -5.434 -3.727 -9.081) 11.220 3.563 ( -5.395 4.281 9.325) 11.593 3.788 ( -0.282 -2.773 2.671) 3.860 3.799 ( -9.948 6.304 5.037) 12.809 3.937 ( 2.255 0.044 10.124) 10.372 4.119 ( -1.259 -7.273 4.884) 8.851 4.127 ( -3.229 4.290 -1.237) 5.510 4.234 ( -12.646 5.542 3.686) 14.291 4.430 ( -1.075 2.429 -1.680) 3.143 4.554 ( 0.820 2.774 1.641) 3.325 4.631 ( -5.346 -9.211 -1.799) 10.801 4.793 ( 1.655 -0.813 -0.495) 1.909 4.913 ( 6.873 0.695 -2.813) 7.459 5.021 ( 10.215 -5.929 -3.268) 12.255 5.209 ( 1.598 3.901 1.592) 4.507 5.366 ( -3.510 -3.698 -3.447) 6.154 5.420 ( 2.515 0.252 -0.934) 2.695 5.427 ( 3.503 1.754 -0.979) 4.038 5.697 ( 1.652 0.832 -0.999) 2.102 5.793 ( 0.489 -3.329 1.854) 3.841 6.156 ( -1.782 2.900 0.377) 3.424 6.227 ( 2.697 -0.470 -1.913) 3.340 6.327 ( -4.093 -1.826 0.029) 4.482 6.382 ( -0.993 -3.881 -3.743) 5.483 6.403 ( -0.327 1.423 0.499) 1.543 6.519 ( -1.122 -4.431 -0.966) 4.672 6.869 ( 1.926 6.337 0.787) 6.670 7.060 ( 2.309 -2.839 0.801) 3.746 7.259 ( 5.368 2.238 0.964) 5.895 7.358 ( 6.538 -1.047 -0.885) 6.680 10.882 ( 1.527 1.322 0.006) 2.020 10.923 ( 1.936 -1.284 1.152) 2.593 11.228 ( -0.680 2.483 0.076) 2.576 11.304 ( -1.720 -0.589 -0.186) 1.827 11.462 ( 0.028 5.434 -5.105) 7.456 11.578 ( 4.001 4.391 0.267) 5.946 11.739 ( 4.891 -5.943 2.649) 8.140 11.837 ( 2.515 -9.266 -6.911) 11.830 12.824 ( -8.945 16.042 5.245) 19.101 13.346 ( -7.971 -11.184 0.892) 13.763 13.831 ( -0.065 0.447 0.356) 0.575 13.842 ( 0.653 -0.149 -0.121) 0.680 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.406 0.568 3.798) 4.090 1.142 ( -0.975 -4.612 -1.365) 4.908 1.353 ( -0.298 3.925 8.200) 9.096 1.412 ( 9.635 6.663 5.408) 12.903 1.650 ( 4.741 2.004 -5.961) 7.876 1.664 ( -7.710 0.818 -4.050) 8.747 1.850 ( 3.828 0.677 -4.574) 6.003 2.004 ( -4.559 -3.887 -9.076) 10.875 2.060 ( 4.911 3.255 -3.489) 6.847 2.171 ( -1.420 -0.230 -0.649) 1.578 2.461 ( 2.643 4.146 -1.363) 5.103 2.572 ( 0.561 3.433 2.004) 4.015 2.646 ( 5.059 -2.284 7.716) 9.505 2.677 ( -2.316 -2.939 13.170) 13.691 2.940 ( 1.734 10.446 -3.976) 11.311 3.011 ( -2.948 -0.565 -5.184) 5.990 3.124 ( -3.563 -10.520 -5.825) 12.541 3.239 ( -4.426 -2.940 1.796) 5.609 3.296 ( -8.609 1.614 2.136) 9.016 3.399 ( -17.018 5.542 4.215) 18.387 3.711 ( -6.049 -1.666 1.738) 6.510 3.867 ( 0.063 4.281 3.218) 5.356 4.009 ( -6.685 6.900 0.066) 9.608 4.042 ( -8.320 -10.543 5.648) 14.570 4.056 ( -6.148 -0.494 5.782) 8.455 4.195 ( -6.115 -3.858 10.519) 12.765 4.386 ( -1.890 -1.969 0.004) 2.729 4.472 ( -8.025 -8.865 -0.188) 11.959 4.675 ( 6.995 6.412 3.538) 10.128 4.810 ( 1.562 0.578 -0.894) 1.891 4.975 ( 5.967 -0.447 -4.382) 7.416 5.109 ( 1.458 -7.021 -4.336) 8.380 5.203 ( -0.070 4.911 -1.724) 5.205 5.295 ( 0.138 -1.653 -1.665) 2.350 5.486 ( 6.885 0.516 -1.062) 6.986 5.500 ( 6.900 2.831 -2.039) 7.732 5.726 ( 1.920 1.516 1.067) 2.669 5.831 ( 0.943 -4.115 3.113) 5.246 6.114 ( -0.607 5.139 -5.616) 7.637 6.227 ( -0.750 0.654 -0.471) 1.101 6.289 ( -0.148 -1.490 0.875) 1.734 6.339 ( 0.908 -4.361 -5.536) 7.106 6.416 ( 1.447 2.707 0.606) 3.129 6.478 ( -1.869 -0.894 -0.943) 2.277 6.928 ( 3.295 4.213 2.021) 5.718 7.098 ( 1.992 -3.565 0.440) 4.107 7.363 ( 6.236 2.543 -0.564) 6.758 7.458 ( 7.154 -0.721 -1.695) 7.388 10.915 ( 2.565 1.634 -0.167) 3.046 10.959 ( 1.722 -1.152 -0.628) 2.165 11.222 ( -0.287 3.196 -0.068) 3.209 11.295 ( 0.969 0.785 0.044) 1.248 11.420 ( 2.124 3.951 -4.750) 6.533 11.641 ( 1.441 -2.572 -7.490) 8.049 11.685 ( 0.715 2.900 0.244) 2.997 11.978 ( 12.123 -8.011 0.949) 14.562 12.707 ( -14.773 12.237 8.261) 20.886 13.193 ( -12.163 -12.708 0.894) 17.613 13.833 ( -0.236 0.285 0.405) 0.548 13.847 ( -0.032 -0.386 0.099) 0.400 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -3.703 3.055 0.941) 4.892 1.153 ( 1.201 -3.073 3.351) 4.703 1.392 ( -2.013 1.481 1.993) 3.196 1.515 ( -4.890 -2.441 -1.280) 5.613 1.635 ( 9.162 4.070 1.782) 10.183 1.650 ( 4.285 1.871 0.819) 4.747 1.861 ( 1.837 0.770 -3.172) 3.746 1.913 ( 4.443 3.068 -2.075) 5.784 2.136 ( 4.072 3.080 -1.565) 5.340 2.187 ( 7.439 0.663 -2.850) 7.994 2.421 ( -8.924 5.357 -3.835) 11.092 2.497 ( -2.261 -2.025 -0.063) 3.036 2.707 ( -0.619 -0.746 -2.458) 2.643 2.809 ( -2.459 -0.048 -0.628) 2.539 2.853 ( -8.365 -0.187 -2.449) 8.718 2.885 ( -8.324 -6.501 -0.542) 10.576 3.044 ( 7.242 -0.203 -1.951) 7.503 3.199 ( -5.811 -2.373 3.642) 7.257 3.212 ( -9.823 2.475 6.216) 11.885 3.340 ( 1.480 -5.874 7.651) 9.759 3.608 ( -8.404 -1.205 -0.411) 8.499 3.819 ( -7.609 -1.875 -0.425) 7.848 3.885 ( -6.480 1.294 2.426) 7.039 3.971 ( -6.754 -5.193 8.843) 12.279 4.072 ( -2.714 -0.027 4.403) 5.173 4.140 ( -7.204 -8.947 0.353) 11.492 4.389 ( -1.831 -0.627 4.868) 5.239 4.417 ( -3.603 -2.427 5.751) 7.207 4.770 ( 0.774 2.343 -1.578) 2.929 4.871 ( 6.110 4.753 3.227) 8.386 4.969 ( 0.283 -2.453 -6.934) 7.361 5.077 ( 2.289 1.059 0.486) 2.569 5.186 ( -1.664 3.332 0.276) 3.735 5.310 ( 2.819 -0.939 -1.892) 3.523 5.568 ( 6.204 2.456 -3.430) 7.502 5.595 ( 7.040 0.569 -1.831) 7.296 5.773 ( 0.729 2.104 2.828) 3.600 5.874 ( -1.381 -3.132 3.383) 4.813 6.044 ( 2.755 3.171 -7.635) 8.715 6.211 ( -1.278 0.318 -1.067) 1.695 6.261 ( 0.150 -0.806 -5.342) 5.404 6.315 ( -0.059 -1.906 -0.677) 2.023 6.447 ( 0.259 2.347 -0.640) 2.447 6.472 ( 3.180 1.528 0.550) 3.571 7.005 ( 3.357 1.481 2.255) 4.307 7.146 ( 2.356 -4.010 2.224) 5.155 7.427 ( 4.469 4.276 -3.027) 6.886 7.532 ( 4.587 0.303 -2.134) 5.068 10.952 ( 2.503 1.321 -0.706) 2.917 10.960 ( 0.735 0.415 -2.301) 2.451 11.206 ( -0.504 2.898 -1.760) 3.427 11.319 ( 1.707 0.023 -2.187) 2.774 11.430 ( 3.699 3.004 -2.770) 5.512 11.566 ( 3.439 -1.995 -3.954) 5.607 11.764 ( 2.923 10.341 2.845) 11.116 12.147 ( 7.408 -2.891 -1.341) 8.065 12.563 ( -13.901 1.555 9.501) 16.909 12.996 ( -12.830 -15.763 0.128) 20.325 13.833 ( -0.306 0.023 0.352) 0.467 13.845 ( -0.499 -0.570 0.394) 0.854 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -3.319 7.444 -3.994) 9.076 1.187 ( -0.220 -4.857 0.353) 4.875 1.418 ( 5.265 2.568 0.509) 5.880 1.491 ( -3.836 0.453 6.189) 7.295 1.715 ( 6.805 5.354 2.696) 9.069 1.842 ( 6.393 2.645 4.923) 8.491 1.888 ( -0.592 1.214 4.174) 4.388 2.000 ( 5.371 0.732 0.692) 5.465 2.125 ( 1.962 7.006 -9.854) 12.249 2.244 ( 1.208 2.573 -7.391) 7.919 2.307 ( 0.771 -3.348 0.219) 3.442 2.409 ( -1.659 -0.802 -4.829) 5.169 2.524 ( -11.402 1.660 -3.630) 12.081 2.672 ( -11.267 -2.277 -2.284) 11.720 2.729 ( -2.534 -4.547 3.653) 6.359 2.886 ( 0.653 -5.101 1.088) 5.256 3.095 ( -0.553 -1.478 -2.922) 3.321 3.167 ( 1.367 -7.100 1.302) 7.346 3.192 ( -5.256 -5.583 5.503) 9.438 3.381 ( -1.510 -7.452 -0.613) 7.628 3.484 ( -4.726 0.381 0.485) 4.766 3.728 ( -3.798 -8.167 1.964) 9.219 3.841 ( -2.752 -0.883 1.624) 3.315 3.977 ( -5.995 -2.834 -0.890) 6.690 4.015 ( -2.220 -2.001 8.250) 8.775 4.135 ( 0.715 -4.274 4.051) 5.932 4.399 ( -1.946 1.057 1.470) 2.658 4.429 ( -2.510 -2.659 4.755) 5.998 4.745 ( -0.363 5.482 -1.384) 5.666 4.890 ( 0.299 4.858 -4.929) 6.927 5.012 ( 3.803 1.530 4.691) 6.230 5.146 ( 0.350 7.401 1.533) 7.566 5.170 ( 1.618 -0.789 2.053) 2.730 5.320 ( 1.468 2.307 -3.268) 4.261 5.625 ( 4.347 2.064 -3.051) 5.697 5.655 ( 4.180 0.868 -1.757) 4.616 5.791 ( -2.061 1.257 2.142) 3.228 5.845 ( -2.686 -1.557 -0.553) 3.153 6.058 ( 2.821 -1.657 -0.557) 3.319 6.144 ( 0.840 -3.417 -7.166) 7.983 6.245 ( -0.129 2.515 0.638) 2.598 6.292 ( -1.216 0.023 -1.224) 1.725 6.456 ( 1.244 3.621 0.487) 3.860 6.514 ( 1.525 1.555 -1.032) 2.410 7.088 ( 3.392 -0.884 3.422) 4.899 7.197 ( 0.800 -5.728 0.918) 5.856 7.453 ( 2.974 6.709 -2.274) 7.683 7.554 ( 1.422 1.695 -2.161) 3.093 10.943 ( 0.288 1.561 -1.828) 2.421 10.976 ( 1.396 0.578 -0.689) 1.660 11.180 ( -0.152 1.456 -1.574) 2.149 11.275 ( -0.876 -2.240 -4.185) 4.826 11.503 ( 6.329 7.109 0.477) 9.531 11.647 ( 5.636 1.381 0.782) 5.855 11.825 ( 2.819 13.840 1.102) 14.167 12.123 ( -7.766 10.677 -1.011) 13.241 12.534 ( -0.804 -16.424 5.755) 17.421 12.811 ( -9.738 -19.888 -0.402) 22.147 13.833 ( -0.085 -0.236 0.225) 0.336 13.841 ( -0.489 -0.707 0.376) 0.938 ======================= Grid point 38 (24/160) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 9.799 0.000) 9.799 1.184 ( 0.000 -4.151 0.000) 4.151 1.467 ( 0.000 1.517 -0.000) 1.517 1.521 ( -0.000 0.742 0.000) 0.742 1.833 ( 0.000 11.643 0.000) 11.643 1.842 ( 0.000 5.376 0.000) 5.376 2.016 ( -0.000 5.975 -0.000) 5.975 2.028 ( 0.000 0.008 0.000) 0.008 2.088 ( 0.000 -0.435 0.000) 0.435 2.103 ( 0.000 0.836 -0.000) 0.836 2.355 ( 0.000 -9.505 -0.000) 9.505 2.361 ( -0.000 1.671 0.000) 1.671 2.461 ( -0.000 -4.009 0.000) 4.009 2.506 ( 0.000 3.247 0.000) 3.247 2.782 ( -0.000 -8.081 -0.000) 8.081 2.849 ( 0.000 -6.110 0.000) 6.110 3.074 ( 0.000 -2.883 0.000) 2.883 3.157 ( 0.000 -3.338 -0.000) 3.338 3.193 ( -0.000 -7.064 0.000) 7.064 3.352 ( 0.000 -7.163 0.000) 7.163 3.471 ( 0.000 -2.011 0.000) 2.011 3.705 ( 0.000 -14.831 0.000) 14.831 3.828 ( 0.000 2.687 0.000) 2.687 3.919 ( 0.000 -1.644 0.000) 1.644 4.055 ( 0.000 -1.152 0.000) 1.152 4.173 ( 0.000 -4.073 0.000) 4.073 4.384 ( -0.000 0.625 -0.000) 0.625 4.432 ( 0.000 -3.878 0.000) 3.878 4.739 ( 0.000 8.261 -0.000) 8.261 4.864 ( 0.000 5.233 0.000) 5.233 5.094 ( 0.000 5.911 0.000) 5.911 5.112 ( -0.000 0.439 -0.000) 0.439 5.260 ( 0.000 8.814 0.000) 8.814 5.277 ( 0.000 0.306 -0.000) 0.306 5.623 ( 0.000 3.255 0.000) 3.255 5.719 ( 0.000 1.133 0.000) 1.133 5.758 ( 0.000 -0.142 0.000) 0.142 5.816 ( 0.000 -3.992 0.000) 3.992 6.076 ( 0.000 -2.720 0.000) 2.720 6.118 ( 0.000 -3.993 0.000) 3.993 6.252 ( 0.000 2.137 0.000) 2.137 6.267 ( 0.000 1.415 0.000) 1.415 6.481 ( 0.000 3.186 0.000) 3.186 6.508 ( 0.000 3.052 0.000) 3.052 7.171 ( -0.000 -4.017 -0.000) 4.017 7.175 ( 0.000 -4.241 0.000) 4.241 7.471 ( 0.000 6.962 0.000) 6.962 7.547 ( 0.000 2.686 0.000) 2.686 10.935 ( 0.000 1.859 0.000) 1.859 10.983 ( 0.000 0.219 -0.000) 0.219 11.170 ( 0.000 0.854 0.000) 0.854 11.242 ( 0.000 -2.029 0.000) 2.029 11.576 ( 0.000 8.820 0.000) 8.820 11.690 ( -0.000 3.918 -0.000) 3.918 11.893 ( 0.000 14.913 -0.000) 14.913 11.999 ( -0.000 11.306 0.000) 11.306 12.580 ( 0.000 -19.054 0.000) 19.054 12.716 ( 0.000 -23.018 0.000) 23.018 13.834 ( -0.000 -0.342 0.000) 0.342 13.839 ( 0.000 -0.760 0.000) 0.760 ======================= Grid point 44 (25/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 -0.814 0.000) 0.814 1.118 ( 0.000 0.814 0.000) 0.814 1.311 ( 0.000 -6.009 0.000) 6.009 1.311 ( 0.000 6.009 0.000) 6.009 1.742 ( 0.000 -14.132 0.000) 14.132 1.742 ( 0.000 14.132 0.000) 14.132 1.882 ( 0.000 -6.623 0.000) 6.623 1.882 ( 0.000 6.623 0.000) 6.623 2.224 ( 0.000 -1.053 0.000) 1.053 2.224 ( 0.000 1.053 0.000) 1.053 2.290 ( 0.000 -3.138 0.000) 3.138 2.290 ( 0.000 3.138 0.000) 3.138 2.658 ( 0.000 -9.525 0.000) 9.525 2.658 ( 0.000 9.525 0.000) 9.525 3.148 ( 0.000 -0.875 0.000) 0.875 3.148 ( 0.000 0.875 0.000) 0.875 3.356 ( 0.000 -4.358 0.000) 4.358 3.356 ( 0.000 4.358 0.000) 4.358 3.500 ( 0.000 -4.939 0.000) 4.939 3.500 ( 0.000 4.939 0.000) 4.939 3.666 ( 0.000 -6.207 0.000) 6.207 3.666 ( 0.000 6.207 0.000) 6.207 4.073 ( 0.000 -1.481 0.000) 1.481 4.073 ( 0.000 1.481 0.000) 1.481 4.378 ( 0.000 -14.521 0.000) 14.521 4.378 ( 0.000 14.521 0.000) 14.521 4.482 ( 0.000 -2.417 0.000) 2.417 4.482 ( 0.000 2.417 0.000) 2.417 4.661 ( 0.000 -8.090 0.000) 8.090 4.661 ( 0.000 8.090 0.000) 8.090 4.852 ( 0.000 -2.288 0.000) 2.288 4.852 ( 0.000 2.288 0.000) 2.288 5.275 ( 0.000 -5.808 0.000) 5.808 5.275 ( 0.000 5.808 0.000) 5.808 5.447 ( 0.000 -0.716 0.000) 0.716 5.447 ( 0.000 0.716 0.000) 0.716 5.727 ( 0.000 -2.826 0.000) 2.826 5.727 ( 0.000 2.826 0.000) 2.826 6.195 ( 0.000 -1.598 0.000) 1.598 6.195 ( 0.000 1.598 0.000) 1.598 6.373 ( 0.000 -2.756 0.000) 2.756 6.373 ( 0.000 2.756 0.000) 2.756 6.426 ( 0.000 -2.699 0.000) 2.699 6.426 ( 0.000 2.699 0.000) 2.699 6.968 ( 0.000 -5.098 0.000) 5.098 6.968 ( 0.000 5.098 0.000) 5.098 7.261 ( 0.000 -3.111 0.000) 3.111 7.261 ( 0.000 3.111 0.000) 3.111 10.885 ( 0.000 -0.597 0.000) 0.597 10.885 ( 0.000 0.597 0.000) 0.597 11.284 ( 0.000 -2.677 0.000) 2.677 11.284 ( 0.000 2.677 0.000) 2.677 11.576 ( 0.000 -3.582 0.000) 3.582 11.576 ( 0.000 3.582 0.000) 3.582 11.683 ( 0.000 -9.341 0.000) 9.341 11.683 ( 0.000 9.341 0.000) 9.341 13.168 ( 0.000 -14.334 0.000) 14.334 13.168 ( 0.000 14.334 0.000) 14.334 13.835 ( 0.000 -0.091 0.000) 0.091 13.835 ( 0.000 0.091 0.000) 0.091 ======================= Grid point 46 (26/160) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.101 ( -2.250 -2.292 -0.708) 3.289 1.101 ( -2.250 2.292 -0.708) 3.289 1.320 ( 3.150 -1.624 0.260) 3.554 1.320 ( 3.150 1.624 0.260) 3.554 1.755 ( 2.895 -8.464 -4.557) 10.039 1.755 ( 2.895 8.464 -4.557) 10.039 1.884 ( -2.040 -7.746 4.055) 8.978 1.884 ( -2.040 7.746 4.055) 8.978 2.194 ( -0.914 -4.430 -6.738) 8.115 2.194 ( -0.914 4.430 -6.738) 8.115 2.381 ( 5.720 -4.117 10.238) 12.429 2.381 ( 5.720 4.117 10.238) 12.429 2.628 ( -2.320 -8.062 -1.252) 8.482 2.628 ( -2.320 8.062 -1.252) 8.482 3.130 ( -1.882 -1.746 -1.439) 2.943 3.130 ( -1.882 1.746 -1.439) 2.943 3.228 ( -5.076 -6.568 -6.445) 10.509 3.228 ( -5.076 6.568 -6.445) 10.509 3.490 ( -3.153 -9.725 -0.825) 10.257 3.490 ( -3.153 9.725 -0.825) 10.257 3.806 ( 2.631 -6.625 13.135) 14.944 3.806 ( 2.631 6.625 13.135) 14.944 3.981 ( -12.218 -6.067 5.081) 14.557 3.981 ( -12.218 6.067 5.081) 14.557 4.336 ( -6.878 -12.686 -2.185) 14.595 4.336 ( -6.878 12.686 -2.185) 14.595 4.374 ( -7.073 -3.810 1.462) 8.166 4.374 ( -7.073 3.810 1.462) 8.166 4.716 ( 4.615 -7.677 1.072) 9.022 4.716 ( 4.615 7.677 1.072) 9.022 4.931 ( 9.602 -2.681 -5.552) 11.411 4.931 ( 9.602 2.681 -5.552) 11.411 5.275 ( 0.765 -3.399 -1.039) 3.636 5.275 ( 0.765 3.399 -1.039) 3.636 5.448 ( 1.791 -0.751 -0.731) 2.075 5.448 ( 1.791 0.751 -0.731) 2.075 5.736 ( 0.731 -2.711 0.624) 2.876 5.736 ( 0.731 2.711 0.624) 2.876 6.213 ( 1.299 -2.119 1.000) 2.679 6.213 ( 1.299 2.119 1.000) 2.679 6.317 ( -2.264 -1.945 -4.211) 5.161 6.317 ( -2.264 1.945 -4.211) 5.161 6.446 ( 0.614 -3.114 0.738) 3.259 6.446 ( 0.614 3.114 0.738) 3.259 6.982 ( 1.512 -5.236 0.266) 5.457 6.982 ( 1.512 5.236 0.266) 5.457 7.315 ( 5.834 -3.073 0.239) 6.598 7.315 ( 5.834 3.073 0.239) 6.598 10.903 ( 1.737 -0.954 0.483) 2.040 10.903 ( 1.737 0.954 0.483) 2.040 11.274 ( -0.689 -2.210 0.139) 2.320 11.274 ( -0.689 2.210 0.139) 2.320 11.593 ( 1.310 -6.862 -4.269) 8.187 11.593 ( 1.310 6.862 -4.269) 8.187 11.689 ( 4.195 -5.217 0.102) 6.695 11.689 ( 4.195 5.217 0.102) 6.695 13.109 ( -9.021 -13.820 2.584) 16.704 13.109 ( -9.021 13.820 2.584) 16.704 13.838 ( 0.164 -0.305 0.143) 0.374 13.838 ( 0.164 0.305 0.143) 0.374 ======================= Grid point 48 (27/160) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.078 -3.028 1.205) 3.433 1.065 ( -1.078 3.028 1.205) 3.433 1.419 ( 3.096 -3.218 5.991) 7.472 1.419 ( 3.096 3.218 5.991) 7.472 1.692 ( -1.292 -0.976 -8.650) 8.801 1.692 ( -1.292 0.976 -8.650) 8.801 1.891 ( 2.578 -5.180 -3.747) 6.893 1.891 ( 2.578 5.180 -3.747) 6.893 2.144 ( 1.806 -3.700 -1.076) 4.255 2.144 ( 1.806 3.700 -1.076) 4.255 2.539 ( -1.672 -5.561 0.988) 5.890 2.539 ( -1.672 5.561 0.988) 5.890 2.640 ( 4.826 -2.975 8.248) 10.009 2.640 ( 4.826 2.975 8.248) 10.009 3.007 ( -6.787 -1.311 -7.614) 10.284 3.007 ( -6.787 1.311 -7.614) 10.284 3.151 ( -1.129 -6.700 0.749) 6.836 3.151 ( -1.129 6.700 0.749) 6.836 3.385 ( -10.594 -5.966 1.409) 12.240 3.385 ( -10.594 5.966 1.409) 12.240 3.789 ( -10.907 -10.155 4.734) 15.636 3.789 ( -10.907 10.155 4.734) 15.636 3.984 ( -2.734 -5.442 7.211) 9.438 3.984 ( -2.734 5.442 7.211) 9.438 4.172 ( -11.312 -6.294 0.571) 12.958 4.172 ( -11.312 6.294 0.571) 12.958 4.326 ( -3.301 -0.158 6.263) 7.082 4.326 ( -3.301 0.158 6.263) 7.082 4.801 ( 4.029 -3.312 0.894) 5.292 4.801 ( 4.029 3.312 0.894) 5.292 4.986 ( 6.893 -4.326 -6.935) 10.692 4.986 ( 6.893 4.326 -6.935) 10.692 5.264 ( -0.527 -1.741 -1.319) 2.247 5.264 ( -0.527 1.741 -1.319) 2.247 5.514 ( 7.009 -1.063 -1.412) 7.228 5.514 ( 7.009 1.063 -1.412) 7.228 5.767 ( 1.375 -2.756 2.182) 3.775 5.767 ( 1.375 2.756 2.182) 3.775 6.227 ( -0.534 -6.130 -5.885) 8.514 6.227 ( -0.534 6.130 -5.885) 8.514 6.254 ( 1.314 -1.541 0.091) 2.027 6.254 ( 1.314 1.541 0.091) 2.027 6.459 ( 0.670 -1.524 0.226) 1.680 6.459 ( 0.670 1.524 0.226) 1.680 7.017 ( 2.080 -4.785 0.766) 5.273 7.017 ( 2.080 4.785 0.766) 5.273 7.420 ( 7.008 -2.917 -0.746) 7.627 7.420 ( 7.008 2.917 -0.746) 7.627 10.940 ( 2.418 -1.048 -0.294) 2.652 10.940 ( 2.418 1.048 -0.294) 2.652 11.279 ( 0.626 -2.330 0.575) 2.480 11.279 ( 0.626 2.330 0.575) 2.480 11.522 ( 0.329 -6.555 -7.587) 10.032 11.522 ( 0.329 6.555 -7.587) 10.032 11.818 ( 8.516 -8.262 2.279) 12.082 11.818 ( 8.516 8.262 2.279) 12.082 12.949 ( -15.125 -12.939 3.662) 20.238 12.949 ( -15.125 12.939 3.662) 20.238 13.840 ( -0.293 -0.372 0.295) 0.558 13.840 ( -0.293 0.372 0.295) 0.558 ======================= Grid point 50 (28/160) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.090 ( 0.037 -2.981 2.154) 3.678 1.090 ( 0.037 2.981 2.154) 3.678 1.443 ( -3.635 -3.757 1.063) 5.334 1.443 ( -3.635 3.757 1.063) 5.334 1.672 ( 7.093 -1.683 -0.769) 7.330 1.672 ( 7.093 1.683 -0.769) 7.330 1.907 ( 4.188 -3.635 -2.356) 6.025 1.907 ( 4.188 3.635 -2.356) 6.025 2.200 ( 4.447 -1.528 0.039) 4.702 2.200 ( 4.447 1.528 0.039) 4.702 2.468 ( -6.067 -0.899 -1.474) 6.308 2.468 ( -6.067 0.899 -1.474) 6.308 2.734 ( -2.586 -4.892 -1.595) 5.758 2.734 ( -2.586 4.892 -1.595) 5.758 2.834 ( -3.388 -2.935 -4.329) 6.232 2.834 ( -3.388 2.935 -4.329) 6.232 3.157 ( -2.426 -8.795 0.493) 9.137 3.157 ( -2.426 8.795 0.493) 9.137 3.227 ( -9.207 -3.026 4.612) 10.733 3.227 ( -9.207 3.026 4.612) 10.733 3.679 ( -8.845 -8.277 1.877) 12.258 3.679 ( -8.845 8.277 1.877) 12.258 3.954 ( -8.142 -5.316 6.607) 11.756 3.954 ( -8.142 5.316 6.607) 11.756 4.035 ( -4.801 -4.148 0.993) 6.422 4.035 ( -4.801 4.148 0.993) 6.422 4.383 ( -1.855 -1.554 7.819) 8.185 4.383 ( -1.855 1.554 7.819) 8.185 4.850 ( 2.126 -4.541 -0.544) 5.043 4.850 ( 2.126 4.541 -0.544) 5.043 5.031 ( 5.227 -5.705 -2.027) 7.998 5.031 ( 5.227 5.705 -2.027) 7.998 5.252 ( 1.038 -3.971 -0.720) 4.167 5.252 ( 1.038 3.971 -0.720) 4.167 5.598 ( 5.998 -0.606 -2.545) 6.544 5.598 ( 5.998 0.606 -2.545) 6.544 5.819 ( 0.262 -2.696 3.777) 4.648 5.819 ( 0.262 2.696 3.777) 4.648 6.140 ( 0.984 -5.985 -9.640) 11.389 6.140 ( 0.984 5.985 -9.640) 11.389 6.279 ( 0.451 -1.965 0.729) 2.144 6.279 ( 0.451 1.965 0.729) 2.144 6.479 ( 1.747 -0.808 0.060) 1.926 6.479 ( 1.747 0.808 0.060) 1.926 7.063 ( 2.047 -4.194 1.563) 4.922 7.063 ( 2.047 4.194 1.563) 4.922 7.504 ( 5.252 -3.115 -1.846) 6.379 7.504 ( 5.252 3.115 -1.846) 6.379 10.965 ( 1.816 -0.091 -1.358) 2.270 10.965 ( 1.816 0.091 -1.358) 2.270 11.273 ( -0.472 -3.773 -3.113) 4.914 11.273 ( -0.472 3.773 -3.113) 4.914 11.507 ( 5.383 -4.147 -1.777) 7.024 11.507 ( 5.383 4.147 -1.777) 7.024 11.978 ( 8.271 -11.721 1.917) 14.473 11.978 ( 8.271 11.721 1.917) 14.473 12.722 ( -17.788 -12.652 3.091) 22.046 12.722 ( -17.788 12.652 3.091) 22.046 13.836 ( -0.575 -0.345 0.410) 0.786 13.836 ( -0.575 0.345 0.410) 0.786 ======================= Grid point 52 (29/160) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.668 -6.337 -1.790) 6.619 1.076 ( -0.668 6.337 -1.790) 6.619 1.469 ( 1.392 -2.277 4.801) 5.493 1.469 ( 1.392 2.277 4.801) 5.493 1.799 ( 7.418 -3.844 2.372) 8.685 1.799 ( 7.418 3.844 2.372) 8.685 1.984 ( 5.066 -4.113 2.753) 7.083 1.984 ( 5.066 4.113 2.753) 7.083 2.225 ( 0.918 -3.915 -8.282) 9.206 2.225 ( 0.918 3.915 -8.282) 9.206 2.332 ( -6.705 -5.391 -1.487) 8.731 2.332 ( -6.705 5.391 -1.487) 8.731 2.604 ( -6.600 -5.869 -0.919) 8.880 2.604 ( -6.600 5.869 -0.919) 8.880 2.756 ( -4.956 -7.410 -1.695) 9.074 2.756 ( -4.956 7.410 -1.695) 9.074 3.092 ( -2.322 -1.565 1.158) 3.030 3.092 ( -2.322 1.565 1.158) 3.030 3.208 ( -1.020 -8.866 0.124) 8.926 3.208 ( -1.020 8.866 0.124) 8.926 3.558 ( -6.030 -6.706 -0.369) 9.026 3.558 ( -6.030 6.706 -0.369) 9.026 3.903 ( -4.309 -4.517 3.028) 6.938 3.903 ( -4.309 4.517 3.028) 6.938 4.050 ( -0.468 -4.270 6.271) 7.601 4.050 ( -0.468 4.270 6.271) 7.601 4.400 ( -2.256 -0.406 1.902) 2.978 4.400 ( -2.256 0.406 1.902) 2.978 4.872 ( 1.429 -5.703 -0.193) 5.883 4.872 ( 1.429 5.703 -0.193) 5.883 5.091 ( 1.497 -5.882 2.192) 6.453 5.091 ( 1.497 5.882 2.192) 6.453 5.286 ( 3.533 -5.726 -0.022) 6.728 5.286 ( 3.533 5.726 -0.022) 6.728 5.654 ( 4.355 -1.037 -1.912) 4.868 5.654 ( 4.355 1.037 -1.912) 4.868 5.820 ( -4.057 -1.708 1.137) 4.546 5.820 ( -4.057 1.708 1.137) 4.546 6.072 ( 2.383 -3.152 -6.643) 7.729 6.072 ( 2.383 3.152 -6.643) 7.729 6.282 ( -0.310 -1.249 -0.078) 1.289 6.282 ( -0.310 1.249 -0.078) 1.289 6.511 ( 1.701 -1.819 0.168) 2.496 6.511 ( 1.701 1.819 0.168) 2.496 7.109 ( 1.385 -3.121 1.517) 3.737 7.109 ( 1.385 3.121 1.517) 3.737 7.547 ( 2.672 -2.744 -1.673) 4.180 7.547 ( 2.672 2.744 -1.673) 4.180 10.971 ( 0.836 -1.032 -1.225) 1.807 10.971 ( 0.836 1.032 -1.225) 1.807 11.222 ( -0.613 -2.826 -3.171) 4.291 11.222 ( -0.613 2.826 -3.171) 4.291 11.620 ( 7.327 -4.249 1.252) 8.562 11.620 ( 7.327 4.249 1.252) 8.562 12.111 ( 6.842 -14.615 0.534) 16.147 12.111 ( 6.842 14.615 0.534) 16.147 12.475 ( -16.013 -13.629 1.871) 21.111 12.475 ( -16.013 13.629 1.871) 21.111 13.832 ( -0.403 -0.217 0.321) 0.559 13.832 ( -0.403 0.217 0.321) 0.559 ======================= Grid point 54 (30/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.062 ( -0.000 -7.786 0.000) 7.786 1.062 ( 0.000 7.786 0.000) 7.786 1.512 ( 0.000 -1.795 -0.000) 1.795 1.512 ( 0.000 1.795 0.000) 1.795 1.933 ( 0.000 -3.413 -0.000) 3.413 1.933 ( -0.000 3.413 0.000) 3.413 2.062 ( 0.000 -0.318 0.000) 0.318 2.062 ( 0.000 0.318 0.000) 0.318 2.110 ( 0.000 -3.414 0.000) 3.414 2.110 ( -0.000 3.414 0.000) 3.414 2.248 ( -0.000 -3.184 0.000) 3.184 2.248 ( 0.000 3.184 -0.000) 3.184 2.575 ( -0.000 -7.922 -0.000) 7.922 2.575 ( 0.000 7.922 0.000) 7.922 2.679 ( 0.000 -7.729 0.000) 7.729 2.679 ( -0.000 7.729 0.000) 7.729 3.094 ( 0.000 -1.939 0.000) 1.939 3.094 ( -0.000 1.939 0.000) 1.939 3.192 ( 0.000 -8.036 0.000) 8.036 3.192 ( -0.000 8.036 0.000) 8.036 3.506 ( 0.000 -5.615 0.000) 5.615 3.506 ( 0.000 5.615 0.000) 5.615 3.887 ( 0.000 -2.617 -0.000) 2.617 3.887 ( 0.000 2.617 0.000) 2.617 4.091 ( 0.000 -4.002 0.000) 4.002 4.091 ( 0.000 4.002 0.000) 4.002 4.385 ( 0.000 -0.939 0.000) 0.939 4.385 ( 0.000 0.939 0.000) 0.939 4.884 ( 0.000 -4.240 0.000) 4.240 4.884 ( 0.000 4.240 0.000) 4.240 5.115 ( 0.000 -0.750 0.000) 0.750 5.115 ( 0.000 0.750 0.000) 0.750 5.327 ( -0.000 -1.969 -0.000) 1.969 5.327 ( 0.000 1.969 0.000) 1.969 5.691 ( 0.000 -3.425 0.000) 3.425 5.691 ( -0.000 3.425 0.000) 3.425 5.764 ( 0.000 -1.393 0.000) 1.393 5.764 ( 0.000 1.393 0.000) 1.393 6.062 ( 0.000 -1.417 0.000) 1.417 6.062 ( 0.000 1.417 0.000) 1.417 6.277 ( 0.000 -0.445 0.000) 0.445 6.277 ( 0.000 0.445 0.000) 0.445 6.526 ( 0.000 -1.063 0.000) 1.063 6.526 ( 0.000 1.063 0.000) 1.063 7.130 ( 0.000 -0.059 0.000) 0.059 7.130 ( 0.000 0.059 0.000) 0.059 7.558 ( 0.000 -1.931 0.000) 1.931 7.558 ( 0.000 1.931 0.000) 1.931 10.970 ( 0.000 -1.470 0.000) 1.470 10.970 ( 0.000 1.470 0.000) 1.470 11.199 ( 0.000 -2.126 0.000) 2.126 11.199 ( 0.000 2.126 0.000) 2.126 11.699 ( 0.000 -3.186 0.000) 3.186 11.699 ( 0.000 3.186 0.000) 3.186 12.193 ( -0.000 -11.767 0.000) 11.767 12.193 ( 0.000 11.767 0.000) 11.767 12.319 ( 0.000 -12.950 0.000) 12.950 12.319 ( -0.000 12.950 0.000) 12.950 13.831 ( 0.000 -0.102 0.000) 0.102 13.831 ( 0.000 0.102 0.000) 0.102 ======================= Grid point 99 (31/160) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.333 ( -7.161 0.000 17.773) 19.162 0.412 ( -3.042 0.000 21.957) 22.166 0.753 ( 10.536 0.000 39.322) 40.709 1.117 ( 1.786 0.000 2.516) 3.085 1.376 ( 1.572 0.000 -2.912) 3.309 1.385 ( 5.884 0.000 -16.074) 17.117 1.761 ( -6.339 0.000 -11.786) 13.383 2.081 ( -4.071 0.000 0.343) 4.086 2.226 ( -0.997 0.000 -7.161) 7.231 2.548 ( -2.677 0.000 22.434) 22.593 2.629 ( -30.433 0.000 -5.132) 30.863 2.674 ( 9.023 0.000 -12.776) 15.641 2.752 ( 0.268 0.000 8.740) 8.745 2.931 ( 6.549 0.000 0.647) 6.581 3.069 ( -17.977 0.000 1.227) 18.018 3.130 ( -5.655 0.000 3.837) 6.833 3.225 ( -9.092 0.000 -3.100) 9.606 3.310 ( 5.291 0.000 14.440) 15.379 3.345 ( 9.813 0.000 -0.636) 9.833 3.492 ( 4.681 0.000 2.427) 5.272 3.762 ( -4.143 0.000 0.535) 4.178 3.783 ( 10.813 0.000 -7.192) 12.986 4.074 ( 11.621 0.000 -4.054) 12.308 4.157 ( -3.199 0.000 -4.659) 5.652 4.235 ( -0.055 0.000 -3.718) 3.718 4.349 ( 7.561 0.000 -0.394) 7.571 4.386 ( -5.600 0.000 -3.690) 6.707 4.477 ( 2.521 0.000 -3.362) 4.203 4.567 ( -0.706 0.000 2.714) 2.805 4.723 ( 2.232 0.000 -0.897) 2.406 4.827 ( -5.791 0.000 0.874) 5.857 4.898 ( 1.966 0.000 8.882) 9.097 5.123 ( 0.215 0.000 -0.650) 0.685 5.129 ( 4.578 0.000 -2.054) 5.017 5.345 ( -1.176 0.000 3.710) 3.892 5.702 ( -0.832 0.000 1.321) 1.561 5.791 ( -0.442 0.000 1.500) 1.563 5.859 ( 11.052 0.000 -8.664) 14.043 6.123 ( -23.718 0.000 -0.326) 23.721 6.378 ( -9.961 0.000 9.865) 14.019 6.429 ( -1.019 0.000 -2.011) 2.254 6.484 ( -1.137 0.000 1.758) 2.093 6.596 ( -0.105 0.000 -1.165) 1.170 6.681 ( 3.288 0.000 1.216) 3.505 6.775 ( -2.664 0.000 -2.616) 3.734 7.017 ( 29.325 0.000 -0.323) 29.327 7.056 ( 4.990 0.000 -3.931) 6.352 7.153 ( -3.637 0.000 -1.377) 3.889 10.809 ( -1.084 0.000 -0.308) 1.127 11.051 ( -0.300 0.000 -3.483) 3.496 11.153 ( -0.426 0.000 -0.373) 0.567 11.276 ( 0.330 0.000 1.916) 1.944 11.307 ( 8.199 0.000 2.092) 8.462 11.601 ( -2.061 0.000 -14.261) 14.409 11.828 ( -25.971 0.000 0.168) 25.972 11.849 ( 12.342 0.000 0.115) 12.342 12.516 ( -9.309 0.000 17.530) 19.848 13.559 ( 18.316 0.000 -6.017) 19.279 13.780 ( 0.617 0.000 1.449) 1.575 13.828 ( -0.185 0.000 0.310) 0.361 ======================= Grid point 100 (32/160) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.631 ( 16.695 0.000 11.377) 20.203 0.683 ( 7.611 0.000 17.103) 18.720 1.218 ( -2.321 0.000 7.339) 7.697 1.256 ( 9.746 0.000 0.031) 9.746 1.354 ( 8.343 0.000 -6.299) 10.454 1.475 ( 5.406 0.000 3.517) 6.449 1.527 ( -3.187 0.000 12.640) 13.036 2.037 ( 2.107 0.000 1.002) 2.333 2.048 ( -6.780 0.000 -10.856) 12.799 2.353 ( -6.052 0.000 -3.367) 6.925 2.529 ( -13.478 0.000 2.731) 13.752 2.695 ( -2.096 0.000 -7.680) 7.961 2.857 ( 0.183 0.000 10.526) 10.528 2.873 ( -9.664 0.000 -1.980) 9.865 2.962 ( -4.088 0.000 18.725) 19.166 3.083 ( -5.287 0.000 2.766) 5.967 3.201 ( 9.496 0.000 1.219) 9.574 3.356 ( -2.462 0.000 -3.442) 4.232 3.471 ( -3.800 0.000 2.363) 4.475 3.611 ( 2.744 0.000 5.221) 5.899 3.741 ( 4.877 0.000 1.547) 5.117 3.797 ( -7.169 0.000 -4.186) 8.302 4.044 ( -7.177 0.000 -4.603) 8.526 4.074 ( -1.651 0.000 -4.074) 4.396 4.147 ( -4.490 0.000 -4.849) 6.608 4.209 ( 1.033 0.000 2.388) 2.602 4.445 ( 8.624 0.000 -3.703) 9.385 4.585 ( 7.047 0.000 6.372) 9.501 4.593 ( 4.223 0.000 -1.320) 4.424 4.622 ( 1.127 0.000 -10.952) 11.010 4.930 ( 1.522 0.000 1.221) 1.951 5.042 ( 4.282 0.000 5.698) 7.128 5.103 ( -2.121 0.000 -0.109) 2.124 5.149 ( 1.989 0.000 -3.601) 4.114 5.363 ( -2.492 0.000 5.133) 5.706 5.704 ( -0.531 0.000 1.849) 1.924 5.791 ( -0.501 0.000 -0.412) 0.649 5.854 ( 1.177 0.000 -5.054) 5.189 6.010 ( -1.104 0.000 6.900) 6.988 6.363 ( -3.037 0.000 -3.214) 4.422 6.381 ( -7.044 0.000 7.563) 10.336 6.441 ( -3.148 0.000 -0.048) 3.148 6.533 ( -5.666 0.000 -2.049) 6.025 6.609 ( -10.470 0.000 -3.174) 10.941 6.786 ( 6.659 0.000 4.109) 7.825 7.087 ( 0.238 0.000 -4.006) 4.013 7.166 ( 10.224 0.000 -4.182) 11.046 7.299 ( 14.204 0.000 -7.919) 16.263 10.804 ( 0.977 0.000 -0.428) 1.067 11.006 ( -0.056 0.000 -4.058) 4.058 11.156 ( 1.147 0.000 -0.372) 1.206 11.295 ( -0.533 0.000 1.503) 1.595 11.383 ( 1.586 0.000 0.228) 1.602 11.443 ( -1.295 0.000 -9.156) 9.247 11.541 ( -15.142 0.000 6.485) 16.472 12.015 ( 8.161 0.000 -4.173) 9.166 12.593 ( -3.725 0.000 19.264) 19.621 13.669 ( 6.881 0.000 -10.107) 12.227 13.827 ( 3.500 0.000 -0.532) 3.541 13.831 ( 0.163 0.000 0.089) 0.185 ======================= Grid point 101 (33/160) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.977 ( 8.651 0.000 12.715) 15.379 0.989 ( 10.093 0.000 9.638) 13.955 1.049 ( -10.378 0.000 -6.233) 12.106 1.346 ( 3.451 0.000 3.162) 4.681 1.351 ( -2.728 0.000 -5.258) 5.924 1.506 ( 12.589 0.000 -8.014) 14.924 1.793 ( 2.502 0.000 1.603) 2.972 1.874 ( -1.621 0.000 -3.969) 4.287 2.252 ( 15.237 0.000 -1.306) 15.293 2.301 ( -7.004 0.000 -9.500) 11.803 2.329 ( 0.898 0.000 15.798) 15.824 2.573 ( -11.526 0.000 1.526) 11.626 2.691 ( -9.625 0.000 6.199) 11.448 2.980 ( -1.205 0.000 10.939) 11.005 3.008 ( -4.759 0.000 0.205) 4.764 3.172 ( 0.337 0.000 12.266) 12.271 3.222 ( -10.173 0.000 1.018) 10.223 3.337 ( 8.994 0.000 -5.954) 10.786 3.367 ( -3.677 0.000 -3.564) 5.121 3.555 ( -9.896 0.000 -4.202) 10.751 3.643 ( -3.096 0.000 7.351) 7.976 3.917 ( 6.746 0.000 7.115) 9.804 3.968 ( -6.588 0.000 -5.285) 8.446 4.007 ( 0.254 0.000 -6.266) 6.271 4.058 ( 3.289 0.000 1.049) 3.452 4.298 ( 6.593 0.000 0.336) 6.601 4.489 ( 0.463 0.000 -14.681) 14.688 4.565 ( 9.684 0.000 -1.454) 9.793 4.661 ( 4.882 0.000 -1.166) 5.019 4.763 ( 5.397 0.000 6.126) 8.165 4.899 ( -4.451 0.000 -1.575) 4.722 5.020 ( -7.286 0.000 0.097) 7.286 5.126 ( 0.007 0.000 -2.896) 2.896 5.133 ( 2.303 0.000 -0.816) 2.444 5.380 ( -3.930 0.000 7.064) 8.083 5.737 ( -1.779 0.000 -6.165) 6.416 5.746 ( 2.499 0.000 3.455) 4.264 5.852 ( 1.516 0.000 -0.117) 1.521 6.105 ( 1.381 0.000 8.346) 8.459 6.294 ( -2.297 0.000 -1.012) 2.510 6.315 ( -7.040 0.000 2.859) 7.599 6.383 ( -7.048 0.000 -4.513) 8.369 6.392 ( -4.142 0.000 0.659) 4.194 6.436 ( -9.147 0.000 -0.158) 9.149 6.962 ( 8.171 0.000 5.559) 9.882 7.050 ( 1.600 0.000 -5.238) 5.477 7.276 ( 9.318 0.000 -4.577) 10.381 7.381 ( 6.576 0.000 -5.369) 8.489 10.827 ( 1.925 0.000 0.328) 1.953 10.969 ( 0.529 0.000 -3.251) 3.294 11.177 ( 2.137 0.000 -0.554) 2.208 11.290 ( -0.853 0.000 -0.226) 0.883 11.355 ( -0.268 0.000 -5.735) 5.742 11.389 ( -0.635 0.000 -1.571) 1.694 11.429 ( -7.913 0.000 6.653) 10.338 11.984 ( -4.516 0.000 -4.206) 6.171 12.836 ( 7.540 0.000 17.193) 18.774 13.628 ( 2.075 0.000 -9.125) 9.358 13.835 ( 0.451 0.000 -0.274) 0.528 13.861 ( 1.745 0.000 -0.600) 1.845 ======================= Grid point 102 (34/160) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.752 ( -16.348 0.000 -3.050) 16.631 1.150 ( 4.761 0.000 -6.576) 8.118 1.228 ( 7.001 0.000 10.727) 12.809 1.324 ( 1.227 0.000 2.782) 3.040 1.449 ( 1.383 0.000 4.470) 4.679 1.505 ( 3.336 0.000 -8.373) 9.013 1.816 ( 1.988 0.000 1.657) 2.588 1.891 ( 3.108 0.000 -2.403) 3.929 2.179 ( 2.443 0.000 -5.402) 5.929 2.333 ( -9.209 0.000 1.317) 9.303 2.389 ( -8.723 0.000 -1.331) 8.824 2.447 ( 10.964 0.000 -8.331) 13.770 2.722 ( -1.046 0.000 12.812) 12.855 3.013 ( -4.866 0.000 0.044) 4.866 3.040 ( -1.464 0.000 15.023) 15.095 3.093 ( -8.737 0.000 -5.235) 10.186 3.229 ( 3.286 0.000 6.835) 7.584 3.270 ( -5.493 0.000 -2.665) 6.105 3.418 ( -1.530 0.000 -1.083) 1.875 3.489 ( 12.664 0.000 -3.552) 13.153 3.682 ( -2.970 0.000 7.070) 7.668 3.823 ( -4.685 0.000 -1.108) 4.814 3.947 ( 1.455 0.000 -7.505) 7.645 4.075 ( 2.784 0.000 8.068) 8.535 4.157 ( 4.818 0.000 2.845) 5.596 4.337 ( 1.483 0.000 -12.247) 12.336 4.413 ( 6.121 0.000 -1.205) 6.239 4.680 ( -6.040 0.000 1.200) 6.158 4.693 ( 8.583 0.000 -3.286) 9.190 4.785 ( -1.636 0.000 -5.630) 5.863 4.817 ( -8.422 0.000 3.933) 9.295 4.938 ( 1.123 0.000 1.414) 1.805 5.109 ( 2.104 0.000 -2.194) 3.040 5.135 ( 1.771 0.000 -3.654) 4.060 5.373 ( -7.418 0.000 7.975) 10.891 5.621 ( -3.697 0.000 -6.449) 7.434 5.836 ( 2.442 0.000 3.483) 4.253 5.877 ( 2.526 0.000 -1.445) 2.910 6.195 ( -1.338 0.000 4.797) 4.980 6.201 ( -5.866 0.000 -1.105) 5.969 6.253 ( -4.146 0.000 4.779) 6.327 6.305 ( -7.038 0.000 -0.050) 7.038 6.326 ( -3.962 0.000 -0.272) 3.971 6.329 ( 1.766 0.000 -0.719) 1.907 7.032 ( 2.219 0.000 -3.282) 3.962 7.142 ( 6.576 0.000 5.412) 8.517 7.361 ( 7.260 0.000 -3.835) 8.211 7.408 ( 3.230 0.000 -3.655) 4.878 10.867 ( 1.790 0.000 1.344) 2.239 10.954 ( 1.006 0.000 -1.795) 2.058 11.207 ( 2.545 0.000 -0.957) 2.719 11.270 ( -0.395 0.000 -1.870) 1.911 11.298 ( -0.221 0.000 -3.530) 3.536 11.328 ( -3.165 0.000 -1.415) 3.467 11.429 ( -3.243 0.000 6.648) 7.397 11.848 ( -6.494 0.000 -2.477) 6.950 13.129 ( 7.292 0.000 12.593) 14.552 13.556 ( 1.513 0.000 -8.656) 8.787 13.838 ( 0.547 0.000 -0.440) 0.702 13.875 ( 0.716 0.000 -0.299) 0.775 ======================= Grid point 103 (35/160) ======================= q-point: ( 0.40 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.520 ( -10.862 0.000 3.494) 11.410 1.146 ( 4.191 0.000 -3.594) 5.521 1.313 ( -2.671 0.000 -10.706) 11.034 1.386 ( 0.420 0.000 7.269) 7.281 1.462 ( 5.842 0.000 5.112) 7.763 1.576 ( -1.422 0.000 9.630) 9.734 1.816 ( -7.549 0.000 0.690) 7.580 1.888 ( 1.442 0.000 -3.650) 3.924 2.161 ( -2.643 0.000 -1.207) 2.906 2.185 ( 0.335 0.000 -2.051) 2.078 2.356 ( 5.362 0.000 0.974) 5.450 2.575 ( 11.734 0.000 -9.189) 14.904 2.892 ( 1.873 0.000 10.118) 10.290 2.905 ( -3.382 0.000 -6.047) 6.929 2.916 ( -3.294 0.000 -2.791) 4.317 3.046 ( -6.342 0.000 -4.146) 7.577 3.119 ( -6.870 0.000 -5.783) 8.980 3.273 ( 1.978 0.000 5.089) 5.460 3.485 ( -4.019 0.000 5.361) 6.700 3.593 ( 3.731 0.000 -3.001) 4.789 3.693 ( 3.464 0.000 -4.024) 5.310 3.893 ( -0.803 0.000 -2.513) 2.638 3.905 ( 8.090 0.000 9.791) 12.701 4.177 ( 0.922 0.000 -8.571) 8.620 4.182 ( -0.089 0.000 8.097) 8.097 4.295 ( -0.020 0.000 -0.995) 0.995 4.454 ( -1.866 0.000 -2.201) 2.886 4.532 ( -5.864 0.000 4.482) 7.381 4.699 ( -5.978 0.000 1.337) 6.126 4.761 ( 3.207 0.000 -4.954) 5.902 4.770 ( 5.274 0.000 -4.335) 6.827 5.004 ( 2.675 0.000 0.718) 2.770 5.117 ( 0.037 0.000 -2.419) 2.420 5.157 ( 5.154 0.000 -0.460) 5.175 5.337 ( -7.873 0.000 9.006) 11.962 5.502 ( -2.213 0.000 -5.435) 5.868 5.847 ( -1.907 0.000 -1.007) 2.157 5.900 ( 2.960 0.000 -2.362) 3.787 6.158 ( -2.824 0.000 2.572) 3.820 6.167 ( -4.022 0.000 2.359) 4.662 6.223 ( -1.611 0.000 -0.734) 1.770 6.243 ( -3.725 0.000 0.595) 3.772 6.306 ( -0.690 0.000 3.541) 3.608 6.350 ( 1.137 0.000 0.158) 1.148 7.047 ( 2.033 0.000 -0.589) 2.117 7.270 ( 2.231 0.000 4.177) 4.736 7.411 ( 1.971 0.000 -2.526) 3.205 7.427 ( 4.854 0.000 -1.470) 5.072 10.904 ( 0.538 0.000 1.523) 1.616 10.955 ( 0.990 0.000 -1.189) 1.547 11.236 ( 2.560 0.000 -1.085) 2.780 11.245 ( 0.783 0.000 -1.348) 1.559 11.276 ( -1.765 0.000 -0.869) 1.967 11.281 ( 0.613 0.000 -1.124) 1.280 11.452 ( -3.764 0.000 7.517) 8.407 11.753 ( -3.204 0.000 -0.584) 3.257 13.294 ( 0.507 0.000 5.232) 5.257 13.503 ( 3.216 0.000 -7.519) 8.178 13.845 ( 0.520 0.000 0.254) 0.579 13.879 ( 0.325 0.000 -0.272) 0.423 ======================= Grid point 104 (36/160) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.528 ( -1.101 0.000 13.518) 13.563 1.140 ( -2.251 0.000 -10.232) 10.477 1.205 ( 3.407 0.000 1.408) 3.687 1.515 ( 0.217 0.000 13.938) 13.940 1.540 ( -4.884 0.000 4.030) 6.332 1.640 ( 0.011 0.000 4.617) 4.617 1.706 ( -0.375 0.000 -2.800) 2.825 1.877 ( 3.277 0.000 -4.020) 5.186 2.137 ( 3.487 0.000 -1.935) 3.988 2.217 ( 1.483 0.000 -0.660) 1.623 2.449 ( -1.312 0.000 5.133) 5.298 2.546 ( 3.244 0.000 -14.254) 14.619 2.777 ( -8.907 0.000 -7.605) 11.712 2.834 ( -0.913 0.000 -7.153) 7.211 2.883 ( 0.524 0.000 -1.869) 1.941 2.978 ( 4.502 0.000 -5.133) 6.827 3.109 ( 3.669 0.000 2.581) 4.486 3.345 ( -6.961 0.000 8.268) 10.808 3.431 ( -2.277 0.000 1.700) 2.841 3.555 ( 0.202 0.000 -6.268) 6.271 3.737 ( 8.222 0.000 -6.032) 10.197 3.889 ( -1.217 0.000 5.007) 5.153 3.917 ( -11.177 0.000 -4.012) 11.876 4.134 ( -0.154 0.000 -8.436) 8.438 4.258 ( -0.996 0.000 8.220) 8.280 4.295 ( 6.905 0.000 5.445) 8.794 4.470 ( 1.505 0.000 2.155) 2.629 4.570 ( 0.604 0.000 6.480) 6.508 4.626 ( -4.420 0.000 0.280) 4.429 4.773 ( 4.339 0.000 -3.140) 5.356 4.816 ( 7.230 0.000 -6.196) 9.521 4.990 ( -1.708 0.000 -4.891) 5.180 5.092 ( -2.663 0.000 2.548) 3.686 5.205 ( 0.207 0.000 -0.608) 0.643 5.319 ( -5.881 0.000 6.317) 8.631 5.489 ( 6.136 0.000 -0.959) 6.210 5.822 ( 1.016 0.000 -1.195) 1.569 5.910 ( 1.368 0.000 -3.033) 3.327 6.116 ( -2.765 0.000 0.578) 2.825 6.145 ( -2.173 0.000 2.887) 3.614 6.195 ( -1.543 0.000 -1.060) 1.871 6.232 ( 1.091 0.000 1.131) 1.572 6.323 ( -1.445 0.000 2.556) 2.936 6.368 ( -0.057 0.000 0.277) 0.283 7.080 ( 1.562 0.000 1.786) 2.373 7.275 ( -4.449 0.000 0.402) 4.467 7.439 ( 2.837 0.000 0.088) 2.839 7.479 ( 2.019 0.000 0.642) 2.119 10.911 ( -1.085 0.000 0.529) 1.208 10.961 ( 1.252 0.000 -0.711) 1.440 11.243 ( -0.092 0.000 -2.044) 2.046 11.272 ( 2.454 0.000 -0.760) 2.569 11.277 ( 2.192 0.000 1.084) 2.446 11.288 ( 0.763 0.000 1.686) 1.851 11.467 ( -5.254 0.000 8.187) 9.728 11.740 ( 1.365 0.000 1.285) 1.875 13.254 ( -7.278 0.000 -2.231) 7.612 13.502 ( 5.806 0.000 -5.638) 8.093 13.857 ( 0.029 0.000 0.775) 0.775 13.881 ( 0.274 0.000 -0.211) 0.345 ======================= Grid point 105 (37/160) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.704 ( 2.564 0.000 14.472) 14.698 1.058 ( -0.322 0.000 -1.326) 1.365 1.228 ( -2.479 0.000 -2.529) 3.542 1.410 ( -10.632 0.000 -1.637) 10.757 1.570 ( -6.463 0.000 6.573) 9.218 1.704 ( 4.363 0.000 2.830) 5.200 1.821 ( 8.901 0.000 6.561) 11.058 1.908 ( 5.696 0.000 -4.095) 7.015 2.167 ( 0.153 0.000 -7.241) 7.242 2.182 ( -1.354 0.000 -4.554) 4.751 2.431 ( -3.950 0.000 1.605) 4.264 2.537 ( 11.727 0.000 -4.798) 12.671 2.538 ( -5.829 0.000 -2.306) 6.268 2.718 ( -7.817 0.000 -9.693) 12.452 2.933 ( 0.440 0.000 -6.808) 6.823 2.958 ( 6.619 0.000 -5.506) 8.610 3.117 ( -1.412 0.000 -0.004) 1.412 3.216 ( -12.667 0.000 3.989) 13.280 3.499 ( 2.168 0.000 5.815) 6.206 3.530 ( 2.605 0.000 -1.605) 3.060 3.761 ( -0.175 0.000 -3.374) 3.379 3.806 ( 4.980 0.000 -0.426) 4.998 3.912 ( -6.635 0.000 7.018) 9.658 4.026 ( -0.262 0.000 -9.668) 9.671 4.335 ( -2.233 0.000 8.502) 8.791 4.376 ( 0.100 0.000 -2.628) 2.630 4.572 ( 6.057 0.000 6.770) 9.085 4.587 ( 3.539 0.000 -4.281) 5.555 4.649 ( 0.504 0.000 3.820) 3.853 4.830 ( 0.010 0.000 -2.720) 2.720 4.838 ( 5.354 0.000 0.736) 5.405 4.871 ( -3.223 0.000 -7.406) 8.077 5.108 ( 2.721 0.000 0.675) 2.804 5.183 ( -1.547 0.000 0.264) 1.570 5.271 ( -5.995 0.000 1.808) 6.262 5.626 ( 8.434 0.000 1.707) 8.605 5.817 ( -1.646 0.000 -0.749) 1.808 5.861 ( -2.137 0.000 -4.689) 5.153 6.138 ( 4.205 0.000 2.153) 4.725 6.163 ( 0.508 0.000 1.350) 1.442 6.177 ( -0.604 0.000 2.018) 2.106 6.267 ( 1.273 0.000 0.677) 1.442 6.329 ( 0.031 0.000 1.382) 1.382 6.355 ( 0.190 0.000 0.044) 0.195 7.137 ( 1.121 0.000 4.299) 4.443 7.164 ( -8.169 0.000 -1.689) 8.341 7.479 ( 1.643 0.000 0.336) 1.677 7.495 ( -1.336 0.000 0.917) 1.621 10.887 ( -1.707 0.000 -0.521) 1.785 10.985 ( 1.783 0.000 0.685) 1.910 11.215 ( -0.403 0.000 -2.340) 2.374 11.280 ( 0.577 0.000 -0.957) 1.118 11.325 ( 1.544 0.000 1.117) 1.906 11.341 ( 2.601 0.000 1.281) 2.899 11.470 ( -5.206 0.000 8.796) 10.221 11.828 ( 6.289 0.000 3.446) 7.171 13.038 ( -13.666 0.000 -5.956) 14.907 13.559 ( 7.382 0.000 -3.701) 8.258 13.858 ( -0.628 0.000 0.325) 0.707 13.885 ( 0.437 0.000 0.037) 0.439 ======================= Grid point 106 (38/160) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.873 ( -4.051 0.000 9.127) 9.986 0.995 ( -12.718 0.000 0.878) 12.748 1.044 ( -4.911 0.000 -8.256) 9.606 1.299 ( 1.658 0.000 1.036) 1.955 1.561 ( -5.951 0.000 7.941) 9.924 1.812 ( -10.428 0.000 -0.582) 10.445 1.853 ( -10.099 0.000 -6.551) 12.037 1.903 ( 8.937 0.000 -0.864) 8.979 2.060 ( 8.245 0.000 -6.828) 10.705 2.166 ( -6.869 0.000 1.011) 6.943 2.356 ( 1.464 0.000 -12.584) 12.669 2.431 ( -4.705 0.000 0.929) 4.796 2.593 ( 5.344 0.000 4.582) 7.040 2.704 ( 12.193 0.000 -5.845) 13.522 2.906 ( -1.030 0.000 -3.255) 3.414 2.989 ( 4.166 0.000 0.368) 4.182 3.086 ( -1.414 0.000 3.058) 3.369 3.180 ( 4.384 0.000 2.730) 5.164 3.567 ( 2.149 0.000 -0.174) 2.156 3.584 ( 1.298 0.000 4.928) 5.096 3.802 ( -13.855 0.000 5.167) 14.787 3.823 ( 10.724 0.000 -4.000) 11.446 3.897 ( 1.844 0.000 5.671) 5.963 3.924 ( 0.907 0.000 -9.690) 9.733 4.308 ( -10.158 0.000 5.111) 11.372 4.331 ( -1.716 0.000 -1.195) 2.091 4.578 ( 1.187 0.000 -9.615) 9.688 4.639 ( -0.146 0.000 -2.830) 2.834 4.726 ( -5.625 0.000 -3.292) 6.517 4.761 ( 4.076 0.000 8.574) 9.494 4.885 ( 8.995 0.000 0.133) 8.996 4.933 ( 4.136 0.000 1.966) 4.580 5.143 ( -6.210 0.000 -2.516) 6.700 5.161 ( -1.564 0.000 -0.394) 1.613 5.185 ( 3.196 0.000 -1.667) 3.605 5.730 ( 1.599 0.000 -3.836) 4.156 5.762 ( -4.042 0.000 0.177) 4.046 5.784 ( 0.730 0.000 -0.376) 0.821 6.152 ( -2.841 0.000 2.132) 3.552 6.239 ( 2.791 0.000 3.275) 4.303 6.248 ( 5.124 0.000 1.444) 5.323 6.311 ( 6.547 0.000 0.197) 6.550 6.362 ( 2.474 0.000 1.125) 2.718 6.414 ( 4.153 0.000 3.047) 5.151 6.995 ( -10.010 0.000 -2.335) 10.278 7.190 ( -0.800 0.000 4.173) 4.249 7.455 ( -4.530 0.000 0.301) 4.540 7.494 ( 0.954 0.000 -1.382) 1.679 10.852 ( -1.381 0.000 -1.109) 1.771 11.027 ( 1.775 0.000 1.628) 2.408 11.181 ( -0.600 0.000 -2.525) 2.596 11.272 ( -0.116 0.000 -1.107) 1.113 11.322 ( -2.570 0.000 -0.205) 2.578 11.397 ( 4.337 0.000 -0.365) 4.352 11.517 ( -1.493 0.000 9.560) 9.676 11.986 ( 8.798 0.000 1.680) 8.957 12.724 ( -18.063 0.000 -3.787) 18.456 13.640 ( 6.789 0.000 -2.702) 7.307 13.848 ( -0.813 0.000 0.045) 0.814 13.897 ( 0.923 0.000 0.096) 0.928 ======================= Grid point 107 (39/160) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.571 ( -16.106 0.000 -15.036) 22.034 0.714 ( -20.652 0.000 0.375) 20.655 1.186 ( 2.401 0.000 22.050) 22.181 1.331 ( -35.575 0.000 -2.437) 35.659 1.388 ( 2.215 0.000 -3.384) 4.044 1.512 ( -12.683 0.000 -1.828) 12.815 1.553 ( -8.323 0.000 -0.560) 8.342 2.053 ( 0.383 0.000 -3.253) 3.276 2.151 ( 11.475 0.000 -1.761) 11.610 2.207 ( 10.252 0.000 -3.683) 10.894 2.272 ( 12.111 0.000 -3.083) 12.497 2.507 ( -0.277 0.000 3.656) 3.667 2.707 ( 3.238 0.000 3.775) 4.973 2.862 ( 3.412 0.000 8.661) 9.309 2.896 ( -1.430 0.000 -0.924) 1.702 2.940 ( 7.421 0.000 -2.056) 7.701 3.259 ( -0.004 0.000 5.156) 5.156 3.326 ( 17.724 0.000 -1.788) 17.814 3.579 ( -0.167 0.000 -0.851) 0.868 3.606 ( -17.555 0.000 5.994) 18.550 3.670 ( 5.396 0.000 1.110) 5.509 3.841 ( 1.616 0.000 -5.952) 6.167 3.956 ( 10.260 0.000 -6.109) 11.941 3.959 ( -5.600 0.000 5.882) 8.122 4.181 ( -5.136 0.000 0.080) 5.136 4.314 ( -0.577 0.000 1.164) 1.299 4.451 ( -3.634 0.000 -8.740) 9.466 4.595 ( -0.294 0.000 -3.699) 3.711 4.625 ( -2.971 0.000 -2.636) 3.972 4.816 ( -5.307 0.000 0.489) 5.329 4.951 ( -9.591 0.000 -3.638) 10.258 5.008 ( 1.900 0.000 2.271) 2.961 5.038 ( 7.298 0.000 -0.075) 7.298 5.153 ( 2.311 0.000 0.697) 2.414 5.251 ( 4.055 0.000 0.579) 4.096 5.672 ( -1.263 0.000 -1.528) 1.982 5.712 ( -2.741 0.000 0.958) 2.904 5.814 ( -0.501 0.000 0.842) 0.980 6.142 ( 1.253 0.000 -0.558) 1.371 6.301 ( -1.177 0.000 5.110) 5.244 6.352 ( 5.534 0.000 1.899) 5.851 6.433 ( 4.139 0.000 2.153) 4.665 6.447 ( 9.203 0.000 -0.153) 9.204 6.532 ( 7.157 0.000 2.182) 7.483 6.819 ( -9.137 0.000 -1.170) 9.211 7.191 ( -3.309 0.000 1.742) 3.739 7.363 ( -6.936 0.000 -0.215) 6.940 7.466 ( 0.625 0.000 -8.041) 8.065 10.824 ( -0.739 0.000 -0.773) 1.069 11.068 ( 1.198 0.000 1.191) 1.690 11.144 ( -0.656 0.000 -2.406) 2.494 11.256 ( -0.112 0.000 -1.123) 1.129 11.258 ( -3.834 0.000 -1.618) 4.162 11.482 ( 7.677 0.000 -1.027) 7.746 11.621 ( 0.330 0.000 11.754) 11.759 12.064 ( 4.161 0.000 -12.089) 12.785 12.464 ( -15.998 0.000 11.426) 19.659 13.702 ( 4.673 0.000 -3.016) 5.562 13.837 ( -0.680 0.000 0.148) 0.696 13.906 ( 1.153 0.000 -2.728) 2.961 ======================= Grid point 108 (40/160) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.266 ( -9.727 0.000 15.484) 18.285 0.423 ( -20.550 0.000 10.482) 23.069 0.710 ( -40.022 0.000 8.190) 40.851 1.188 ( -11.636 0.000 -0.595) 11.651 1.417 ( -2.543 0.000 -2.314) 3.438 1.467 ( 7.099 0.000 -15.478) 17.029 1.649 ( 13.750 0.000 29.984) 32.986 2.052 ( 1.060 0.000 0.381) 1.126 2.214 ( 5.984 0.000 -1.697) 6.220 2.346 ( 3.288 0.000 11.102) 11.579 2.577 ( 14.782 0.000 0.472) 14.790 2.579 ( 5.819 0.000 11.236) 12.654 2.819 ( 13.049 0.000 -6.499) 14.578 2.857 ( 1.035 0.000 9.230) 9.288 3.034 ( 5.156 0.000 3.965) 6.504 3.072 ( 3.854 0.000 8.806) 9.612 3.287 ( -10.072 0.000 8.436) 13.138 3.424 ( -9.056 0.000 6.704) 11.267 3.424 ( -2.080 0.000 -17.678) 17.800 3.501 ( -9.046 0.000 -3.719) 9.781 3.718 ( 9.372 0.000 -11.685) 14.979 3.837 ( -8.391 0.000 1.119) 8.465 3.901 ( 6.025 0.000 2.817) 6.651 4.041 ( 10.054 0.000 4.142) 10.874 4.216 ( 3.367 0.000 2.422) 4.148 4.300 ( -3.011 0.000 -6.896) 7.524 4.304 ( -0.810 0.000 -2.003) 2.161 4.542 ( -0.851 0.000 -7.888) 7.933 4.561 ( -0.089 0.000 -1.315) 1.318 4.694 ( -6.078 0.000 0.508) 6.099 4.832 ( -4.670 0.000 5.187) 6.979 5.039 ( -0.778 0.000 2.126) 2.264 5.109 ( 2.632 0.000 -0.588) 2.697 5.171 ( -3.306 0.000 -4.685) 5.735 5.312 ( 1.235 0.000 2.543) 2.827 5.698 ( -0.765 0.000 1.223) 1.443 5.700 ( 3.803 0.000 6.087) 7.177 5.796 ( -2.018 0.000 1.293) 2.397 6.202 ( 5.162 0.000 2.905) 5.923 6.348 ( 3.977 0.000 4.600) 6.081 6.429 ( 2.323 0.000 0.228) 2.334 6.527 ( 2.025 0.000 6.407) 6.719 6.564 ( 5.133 0.000 -0.369) 5.147 6.690 ( -6.395 0.000 -1.049) 6.480 6.693 ( 10.797 0.000 0.001) 10.797 7.120 ( -4.906 0.000 -2.393) 5.459 7.198 ( -16.694 0.000 -31.737) 35.860 7.246 ( -7.068 0.000 0.051) 7.068 10.820 ( -0.222 0.000 1.318) 1.336 11.080 ( 0.200 0.000 -1.241) 1.257 11.133 ( 1.743 0.000 3.696) 4.087 11.185 ( -2.805 0.000 -1.035) 2.989 11.254 ( 0.410 0.000 0.530) 0.670 11.620 ( 12.302 0.000 -3.517) 12.795 11.830 ( 9.043 0.000 16.309) 18.649 11.868 ( -5.999 0.000 -13.553) 14.821 12.464 ( -8.292 0.000 17.593) 19.449 13.686 ( -2.040 0.000 -15.087) 15.225 13.808 ( -5.634 0.000 -6.525) 8.620 13.830 ( -0.463 0.000 0.315) 0.560 ======================= Grid point 109 (41/160) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 4.082 18.673 5.887) 20.000 0.638 ( 5.132 13.681 17.206) 22.574 1.084 ( -3.012 24.549 18.348) 30.796 1.144 ( 3.403 3.985 1.168) 5.369 1.329 ( 4.917 -1.769 -12.276) 13.342 1.411 ( 3.284 6.846 1.302) 7.704 1.830 ( -8.208 7.377 1.470) 11.133 2.007 ( -4.888 -5.010 3.606) 7.874 2.153 ( 1.363 -8.565 -6.547) 10.866 2.366 ( -1.520 -11.177 1.723) 11.410 2.508 ( -11.217 -7.690 4.707) 14.391 2.669 ( -1.571 -5.665 17.915) 18.855 2.748 ( 1.247 2.812 -7.567) 8.169 2.961 ( 2.589 -6.894 2.710) 7.847 2.998 ( -4.962 -4.203 -1.867) 6.765 3.095 ( -1.131 6.656 -3.959) 7.826 3.207 ( 0.780 -13.061 -2.550) 13.331 3.331 ( 5.293 3.947 7.513) 10.002 3.459 ( -5.851 11.247 5.877) 13.974 3.510 ( 5.279 0.226 0.377) 5.297 3.591 ( -5.491 2.967 2.146) 6.600 3.866 ( -2.841 -8.063 -3.006) 9.062 4.039 ( 13.050 0.877 -7.324) 14.991 4.140 ( -3.112 -12.051 1.365) 12.521 4.150 ( 4.483 3.887 -0.480) 5.952 4.290 ( -0.339 5.390 -3.307) 6.333 4.377 ( 5.049 -1.710 7.141) 8.912 4.458 ( -0.482 -2.693 1.708) 3.225 4.612 ( -1.185 1.912 1.322) 2.609 4.699 ( -0.793 4.162 -1.631) 4.540 4.909 ( 2.651 7.055 2.417) 7.914 4.975 ( -3.086 4.582 3.246) 6.407 5.124 ( 0.040 2.418 -0.954) 2.600 5.201 ( 1.526 2.210 -2.407) 3.607 5.325 ( -1.787 -4.746 2.349) 5.589 5.644 ( -0.083 -2.455 1.531) 2.894 5.796 ( -0.875 -0.875 -1.076) 1.639 5.888 ( 6.891 -0.762 -7.302) 10.069 6.151 ( -8.044 -0.726 -4.308) 9.153 6.391 ( -9.141 -1.653 -0.416) 9.299 6.435 ( 1.037 -1.270 -0.073) 1.642 6.482 ( -6.502 0.716 2.070) 6.861 6.515 ( 0.826 -7.352 0.037) 7.398 6.661 ( 1.559 0.278 1.494) 2.177 6.723 ( 0.143 -2.624 -0.360) 2.652 7.003 ( 14.903 0.035 1.054) 14.940 7.145 ( 4.076 4.774 -3.653) 7.263 7.188 ( -3.222 3.333 -1.951) 5.029 10.798 ( 0.859 0.215 -1.284) 1.560 11.016 ( 2.406 -4.431 -0.938) 5.129 11.171 ( -1.879 1.958 -0.104) 2.716 11.225 ( 1.161 1.166 2.282) 2.814 11.391 ( 0.542 3.702 0.020) 3.742 11.531 ( -5.564 -4.359 -9.205) 11.606 11.792 ( 11.176 -4.103 2.423) 12.150 11.954 ( -9.423 6.024 -9.302) 14.547 12.541 ( -6.666 3.852 18.531) 20.067 13.604 ( 7.677 0.202 -8.061) 11.134 13.796 ( 0.959 1.383 0.545) 1.769 13.831 ( -0.617 0.172 0.320) 0.716 ======================= Grid point 110 (42/160) ======================= q-point: ( 0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 15.900 12.727 6.643) 21.423 0.900 ( 6.286 15.521 12.873) 21.122 1.188 ( -0.752 -0.841 3.480) 3.658 1.228 ( 4.663 -1.446 -2.607) 5.535 1.354 ( 8.031 1.529 -3.959) 9.083 1.621 ( 4.763 13.976 5.308) 15.691 1.661 ( -6.360 11.570 8.608) 15.761 1.985 ( -0.069 -5.464 -1.374) 5.634 2.034 ( -2.584 -2.441 -4.934) 6.081 2.257 ( -3.671 -6.336 -1.845) 7.551 2.448 ( -10.709 -7.711 5.481) 14.290 2.657 ( -3.416 -6.893 -5.649) 9.545 2.753 ( -1.346 3.385 -1.632) 3.991 2.915 ( -8.264 -4.660 11.848) 15.179 2.983 ( -2.248 -4.115 10.410) 11.417 3.114 ( 1.411 1.557 -1.477) 2.569 3.258 ( 7.714 2.229 1.387) 8.149 3.369 ( -9.513 6.348 1.738) 11.567 3.474 ( -4.207 -2.352 -6.976) 8.479 3.500 ( 5.440 -7.256 1.560) 9.202 3.643 ( 1.511 4.079 8.665) 9.696 3.785 ( -7.269 -7.157 1.242) 10.276 3.951 ( -7.610 -6.551 -5.204) 11.310 4.153 ( -5.302 -1.352 -1.166) 5.595 4.180 ( 1.602 -0.181 -1.309) 2.077 4.261 ( 11.111 13.845 -6.355) 18.855 4.495 ( 6.293 3.706 0.773) 7.344 4.517 ( 0.388 -2.143 4.854) 5.320 4.635 ( 1.494 2.747 -2.910) 4.272 4.688 ( 4.067 0.402 -1.660) 4.411 4.947 ( 1.554 1.117 2.887) 3.464 5.031 ( 0.389 1.813 -1.653) 2.484 5.119 ( -0.758 3.124 -0.003) 3.214 5.197 ( 1.989 2.092 0.984) 3.050 5.329 ( -1.461 -3.209 3.930) 5.280 5.675 ( 1.272 -0.877 2.415) 2.867 5.746 ( -0.781 -6.216 -5.790) 8.530 5.907 ( 3.829 2.561 -7.294) 8.627 6.020 ( -4.776 0.964 6.446) 8.080 6.306 ( -3.678 -2.835 1.427) 4.858 6.404 ( -7.115 0.767 3.746) 8.077 6.408 ( -3.502 -2.633 -1.618) 4.671 6.479 ( -4.133 -5.346 -1.886) 7.016 6.613 ( -8.188 -1.102 -2.825) 8.731 6.773 ( 7.188 0.488 4.618) 8.557 7.111 ( -0.156 1.189 -2.839) 3.082 7.209 ( 10.113 3.190 -5.062) 11.750 7.262 ( 11.146 -1.608 -3.291) 11.732 10.807 ( 1.889 0.731 -0.925) 2.227 11.006 ( 0.529 -1.174 -5.090) 5.250 11.156 ( 0.197 0.480 0.619) 0.808 11.270 ( 0.007 -1.828 3.101) 3.600 11.348 ( -3.693 -1.393 -3.398) 5.209 11.434 ( 0.180 3.454 0.961) 3.590 11.706 ( -8.730 7.651 -6.400) 13.255 11.987 ( 9.719 -2.859 -2.390) 10.409 12.627 ( -5.513 4.181 18.789) 20.023 13.614 ( 3.593 -5.145 -8.171) 10.303 13.828 ( 1.176 0.200 0.474) 1.284 13.832 ( 1.229 0.151 -0.325) 1.280 ======================= Grid point 111 (43/160) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -6.912 3.067 -1.971) 7.814 1.089 ( 12.141 9.611 6.992) 16.990 1.145 ( 0.451 8.463 8.421) 11.948 1.301 ( 6.041 1.662 -1.228) 6.385 1.425 ( -0.068 -0.047 -4.146) 4.147 1.548 ( 8.500 7.060 -5.255) 12.236 1.761 ( -1.498 -1.415 -1.311) 2.442 1.867 ( -1.363 -2.340 -2.210) 3.495 2.149 ( 6.092 -6.274 -7.921) 11.799 2.288 ( -5.065 -3.758 2.588) 6.817 2.352 ( 2.796 -0.046 14.937) 15.196 2.606 ( -5.068 0.525 2.930) 5.877 2.630 ( -5.567 1.819 0.606) 5.888 2.946 ( -7.010 -3.677 4.887) 9.303 3.039 ( 3.013 -2.914 1.981) 4.635 3.132 ( -6.170 -5.119 6.531) 10.341 3.203 ( -12.088 2.276 0.438) 12.308 3.310 ( -5.555 -3.463 5.265) 8.401 3.375 ( 6.558 0.663 -7.455) 9.951 3.537 ( 2.586 -1.274 -5.374) 6.099 3.713 ( -2.731 6.669 9.929) 12.269 3.755 ( 2.524 -9.074 -2.314) 9.698 3.890 ( 0.460 -2.632 4.966) 5.639 4.020 ( -7.231 0.354 -2.401) 7.628 4.168 ( -0.295 1.146 -1.497) 1.908 4.380 ( 9.098 7.407 -5.521) 12.966 4.497 ( -1.530 2.776 -7.783) 8.404 4.579 ( -0.098 -4.408 0.291) 4.419 4.621 ( 6.405 2.424 0.228) 6.852 4.812 ( 5.333 2.020 4.355) 7.176 4.947 ( -5.696 -2.293 -3.531) 7.084 5.010 ( 2.149 3.544 2.552) 4.867 5.067 ( -3.968 2.700 0.350) 4.812 5.255 ( 3.555 6.167 -3.847) 8.091 5.348 ( -3.286 -3.353 5.674) 7.364 5.655 ( -1.260 -8.094 -7.069) 10.820 5.731 ( 2.126 -0.372 2.698) 3.455 5.883 ( 1.639 1.905 -3.234) 4.095 6.092 ( 1.105 -1.705 8.232) 8.479 6.277 ( -3.672 -1.902 2.908) 5.056 6.319 ( -5.856 -0.004 2.022) 6.196 6.346 ( -3.081 -1.513 -1.241) 3.650 6.376 ( -4.206 -0.728 -2.697) 5.050 6.456 ( -7.746 0.489 -2.007) 8.017 6.955 ( 8.314 -0.861 4.716) 9.597 7.084 ( 1.656 3.369 -3.270) 4.978 7.301 ( 8.354 1.142 -5.354) 9.988 7.358 ( 6.012 -0.862 -3.296) 6.910 10.837 ( 2.426 1.124 -0.020) 2.673 10.954 ( 0.188 -1.391 -4.474) 4.689 11.180 ( 1.776 0.234 0.494) 1.858 11.265 ( -2.357 -3.148 -0.150) 3.935 11.303 ( 0.011 1.096 -0.307) 1.138 11.454 ( 0.782 5.231 -0.438) 5.307 11.540 ( -5.661 5.681 -2.484) 8.396 12.011 ( -2.460 2.765 -2.721) 4.593 12.814 ( 4.114 -1.869 16.667) 17.268 13.552 ( 0.301 -7.463 -8.107) 11.023 13.834 ( 0.352 -0.056 -0.198) 0.408 13.858 ( 1.318 -0.188 -0.097) 1.335 ======================= Grid point 112 (44/160) ======================= q-point: ( 0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -13.715 4.132 -4.298) 14.955 1.197 ( 1.058 4.329 -5.781) 7.299 1.314 ( 4.267 5.486 10.850) 12.885 1.355 ( 1.610 5.242 3.734) 6.634 1.458 ( 5.951 0.997 -0.236) 6.038 1.584 ( 1.234 7.675 -5.023) 9.256 1.781 ( 4.992 -2.729 2.239) 6.114 1.887 ( 3.175 -0.738 -2.508) 4.113 2.084 ( 5.754 -6.888 -8.563) 12.404 2.291 ( -7.076 -3.012 2.377) 8.049 2.406 ( -8.281 0.639 -2.626) 8.711 2.516 ( 2.622 -1.030 3.917) 4.825 2.625 ( -3.370 -2.092 1.137) 4.126 2.943 ( -2.659 -7.091 6.148) 9.755 3.006 ( -8.097 -2.999 4.455) 9.716 3.080 ( 0.045 -3.988 -4.768) 6.216 3.102 ( -3.959 -3.953 2.853) 6.280 3.366 ( -0.519 4.445 7.775) 8.971 3.419 ( 3.239 -3.046 0.480) 4.472 3.518 ( 3.533 3.312 -3.816) 6.165 3.724 ( 0.580 -5.462 -5.000) 7.427 3.797 ( 2.606 1.998 2.900) 4.381 3.898 ( -4.107 2.049 -1.288) 4.767 4.027 ( 3.746 -2.206 10.057) 10.957 4.156 ( 0.246 -2.562 -0.841) 2.707 4.326 ( -0.040 -3.369 -10.627) 11.148 4.466 ( 2.800 3.653 -4.201) 6.232 4.578 ( -4.025 -4.611 2.467) 6.600 4.686 ( 1.619 -1.726 0.500) 2.419 4.811 ( -3.852 3.702 -4.439) 6.946 4.882 ( -2.445 5.409 1.544) 6.134 5.021 ( -0.168 3.321 0.673) 3.393 5.100 ( 3.695 2.699 3.190) 5.578 5.211 ( -3.510 1.244 -3.141) 4.872 5.331 ( -1.783 -0.280 0.163) 1.813 5.581 ( -0.321 -2.751 -3.828) 4.725 5.783 ( 0.891 -2.011 1.044) 2.435 5.905 ( 3.938 -0.138 -0.669) 3.997 6.182 ( -2.627 -0.373 5.775) 6.355 6.228 ( -4.065 0.487 5.278) 6.680 6.250 ( -3.883 -4.186 -0.585) 5.740 6.296 ( -2.431 4.282 -0.916) 5.008 6.332 ( -5.054 0.010 -1.219) 5.199 6.350 ( 2.019 2.222 -0.848) 3.120 7.067 ( 3.422 2.437 -1.266) 4.388 7.153 ( 6.287 1.540 4.065) 7.643 7.359 ( 5.609 -1.714 -3.783) 6.979 7.393 ( 3.030 0.522 -3.140) 4.395 10.879 ( 2.160 1.160 0.651) 2.537 10.925 ( 0.904 -2.115 -2.326) 3.271 11.215 ( 1.293 -0.196 0.815) 1.541 11.237 ( -0.635 -0.809 -0.314) 1.075 11.284 ( 0.117 1.011 -3.186) 3.344 11.429 ( -0.160 5.981 -2.271) 6.400 11.496 ( -2.730 5.931 3.818) 7.563 11.901 ( -6.958 5.618 -1.562) 9.078 13.058 ( 5.517 -7.274 11.633) 14.788 13.464 ( 0.062 -9.178 -7.807) 12.049 13.837 ( 0.483 -0.099 -0.321) 0.588 13.871 ( 0.497 -0.352 -0.065) 0.613 ======================= Grid point 113 (45/160) ======================= q-point: ( 0.40 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -8.691 6.827 2.988) 11.449 1.158 ( 1.635 1.840 -3.162) 4.007 1.402 ( -0.536 7.759 -3.900) 8.701 1.439 ( -0.354 5.178 2.945) 5.967 1.520 ( 5.065 4.973 5.022) 8.695 1.570 ( -1.508 -0.487 4.180) 4.471 1.824 ( -4.351 1.525 1.124) 4.746 1.917 ( 3.483 2.149 -3.165) 5.174 2.125 ( -0.601 -3.649 -3.319) 4.969 2.154 ( -0.150 -2.731 -0.611) 2.803 2.312 ( 4.331 -2.324 -1.744) 5.215 2.581 ( 5.252 -1.293 -4.439) 6.997 2.720 ( 2.883 -12.426 3.458) 13.217 2.826 ( -4.491 -5.663 3.421) 7.996 2.990 ( -7.973 -2.179 0.804) 8.304 3.002 ( -0.968 1.806 -6.259) 6.586 3.070 ( -3.464 -3.440 -0.090) 4.883 3.331 ( -1.124 4.001 0.065) 4.156 3.500 ( -1.255 -7.814 0.172) 7.916 3.554 ( -2.335 2.875 5.173) 6.362 3.667 ( 3.617 -7.263 -7.253) 10.883 3.856 ( 6.017 5.277 -4.984) 9.428 3.938 ( 5.236 -1.380 4.844) 7.266 4.109 ( -4.448 -5.703 1.538) 7.394 4.168 ( 3.639 -1.739 -0.735) 4.100 4.295 ( 2.681 -2.944 -0.286) 3.993 4.376 ( -7.422 -8.556 -3.354) 11.813 4.525 ( -1.868 2.141 -0.002) 2.842 4.718 ( 1.474 0.969 -0.351) 1.798 4.751 ( -1.545 2.461 2.243) 3.671 4.827 ( -1.798 6.635 -1.357) 7.007 5.040 ( -4.408 -9.810 0.228) 10.757 5.052 ( -1.880 4.264 -2.084) 5.105 5.219 ( 0.630 1.809 2.452) 3.112 5.358 ( 6.848 8.057 -0.895) 10.612 5.548 ( -1.605 3.204 -0.078) 3.584 5.786 ( -0.284 -2.368 -0.413) 2.420 5.950 ( 2.676 0.209 -2.276) 3.520 6.142 ( -5.801 1.490 3.686) 7.033 6.190 ( -1.844 -0.883 -0.170) 2.052 6.242 ( -4.231 1.184 1.741) 4.726 6.275 ( -0.676 -2.397 1.537) 2.926 6.296 ( 1.413 5.482 -0.005) 5.661 6.371 ( 1.088 1.928 1.154) 2.497 7.102 ( 2.018 5.614 -0.840) 6.024 7.280 ( 3.509 -0.401 3.897) 5.259 7.378 ( 0.943 -2.828 -2.821) 4.104 7.420 ( 3.918 0.158 -0.508) 3.954 10.905 ( 1.299 -0.620 -0.827) 1.660 10.935 ( 0.916 -0.328 0.984) 1.383 11.214 ( -1.413 -1.325 0.830) 2.107 11.245 ( 1.036 0.438 -0.097) 1.129 11.278 ( 2.929 3.216 -1.672) 4.660 11.418 ( 0.600 8.527 -1.162) 8.627 11.499 ( -3.076 4.601 4.944) 7.421 11.793 ( -4.810 4.489 -0.248) 6.584 13.199 ( 0.328 -9.764 4.703) 10.843 13.399 ( 2.076 -10.604 -6.892) 12.816 13.843 ( 0.454 -0.195 0.094) 0.503 13.874 ( 0.125 -0.532 -0.179) 0.575 ======================= Grid point 114 (46/160) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -0.429 8.135 12.501) 14.921 1.145 ( -0.063 1.821 -4.835) 5.167 1.290 ( -1.000 7.021 -4.693) 8.504 1.504 ( -5.369 2.068 9.474) 11.084 1.580 ( 2.563 -4.547 -0.548) 5.248 1.648 ( 1.343 6.865 8.246) 10.814 1.760 ( -1.985 4.378 -2.172) 5.275 1.915 ( 3.030 3.803 -3.408) 5.938 2.059 ( 2.747 -6.538 -5.769) 9.141 2.233 ( 2.941 0.952 3.974) 5.035 2.421 ( 3.566 -1.230 4.122) 5.587 2.565 ( -1.165 -0.791 -6.613) 6.762 2.685 ( 0.625 -8.332 -5.082) 9.780 2.771 ( -8.544 -1.581 -7.131) 11.240 2.893 ( -2.147 -6.480 1.130) 6.920 2.983 ( 3.432 -0.105 -2.569) 4.288 3.032 ( 1.578 -1.093 1.251) 2.291 3.324 ( -4.591 -2.956 0.151) 5.462 3.449 ( -0.824 -1.185 0.283) 1.470 3.553 ( -0.419 -0.082 0.515) 0.669 3.678 ( 3.379 -7.316 -3.778) 8.900 3.851 ( -2.698 3.604 -5.497) 7.105 3.992 ( 1.394 -1.544 -1.834) 2.774 4.093 ( -4.172 -3.601 -2.099) 5.897 4.140 ( -2.165 -5.351 0.100) 5.773 4.227 ( 6.099 -9.611 -2.300) 11.612 4.424 ( 4.090 -6.755 1.485) 8.035 4.522 ( -0.537 -2.554 1.829) 3.187 4.687 ( -4.965 6.307 2.393) 8.376 4.798 ( 2.389 6.789 3.672) 8.080 4.867 ( 7.343 -4.704 -1.212) 8.805 4.946 ( -3.685 -2.059 0.891) 4.314 5.048 ( 0.072 2.369 -1.060) 2.597 5.193 ( -3.174 0.623 -2.933) 4.366 5.471 ( 2.074 11.480 2.914) 12.025 5.542 ( 1.797 3.774 1.988) 4.628 5.779 ( -0.017 -2.189 -0.428) 2.230 5.953 ( 3.215 0.699 -4.368) 5.468 6.085 ( -5.552 0.087 2.589) 6.126 6.192 ( 0.287 2.278 1.711) 2.863 6.203 ( -1.499 1.585 0.476) 2.233 6.268 ( -0.871 0.430 0.341) 1.030 6.313 ( 0.218 1.061 1.574) 1.910 6.409 ( -0.014 4.201 1.487) 4.457 7.113 ( 0.859 3.061 -0.223) 3.187 7.284 ( -4.700 0.668 -0.916) 4.834 7.409 ( 3.305 -3.029 1.580) 4.754 7.477 ( 1.947 0.530 1.697) 2.637 10.915 ( 0.638 0.094 -0.160) 0.665 10.953 ( 0.006 0.088 0.865) 0.869 11.200 ( -1.135 -1.174 0.359) 1.672 11.282 ( 1.143 1.475 2.188) 2.876 11.313 ( 3.437 3.726 -0.949) 5.157 11.424 ( 1.258 9.101 0.132) 9.188 11.499 ( -4.489 3.660 5.604) 8.059 11.761 ( 0.760 2.402 0.907) 2.677 13.160 ( -6.889 -9.588 -1.985) 11.972 13.392 ( 5.563 -11.346 -5.260) 13.688 13.851 ( 0.090 -0.536 0.406) 0.679 13.872 ( 0.043 -0.819 -0.319) 0.880 ======================= Grid point 115 (47/160) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 1.313 6.204 11.673) 13.284 1.088 ( 0.307 2.842 -2.058) 3.523 1.246 ( -2.339 2.429 -3.549) 4.896 1.469 ( -8.377 4.818 0.663) 9.687 1.590 ( -2.820 -0.489 3.388) 4.435 1.664 ( 2.198 -1.056 -0.884) 2.594 1.828 ( 3.873 0.767 4.176) 5.746 1.961 ( 5.542 3.984 -2.190) 7.168 2.064 ( 2.673 -3.741 -0.131) 4.600 2.281 ( -3.895 3.622 -4.143) 6.743 2.469 ( -3.998 -3.132 3.187) 5.996 2.478 ( -2.602 3.274 0.490) 4.211 2.559 ( 10.462 0.738 -5.625) 11.901 2.724 ( -4.231 0.254 -6.105) 7.432 2.873 ( 1.586 -6.859 -3.024) 7.662 2.928 ( -0.916 -0.642 -7.063) 7.151 3.081 ( 0.307 -3.274 0.797) 3.384 3.195 ( -7.882 -3.358 0.640) 8.592 3.488 ( 0.782 -0.916 3.330) 3.541 3.561 ( 2.740 1.915 -3.361) 4.740 3.657 ( -0.948 -7.137 0.169) 7.201 3.767 ( 1.856 -0.200 -3.032) 3.561 3.929 ( -4.043 -12.667 -3.187) 13.673 4.050 ( -0.040 8.171 -2.156) 8.451 4.170 ( 1.167 -6.452 2.049) 6.869 4.339 ( 9.535 -14.117 -1.388) 17.092 4.468 ( 1.324 -2.181 -1.297) 2.862 4.524 ( -0.612 -8.497 1.248) 8.610 4.700 ( 2.756 5.442 4.668) 7.682 4.839 ( -2.954 1.533 0.169) 3.332 4.902 ( 0.334 5.543 -0.547) 5.580 4.977 ( 3.430 1.193 -0.778) 3.714 5.060 ( -0.112 -0.184 -3.370) 3.377 5.103 ( 1.598 1.633 0.130) 2.288 5.461 ( -4.827 11.216 2.327) 12.431 5.645 ( 5.008 1.645 2.938) 6.034 5.758 ( -1.624 -2.296 -1.312) 3.103 5.962 ( 2.027 4.612 -4.753) 6.926 6.039 ( -2.188 -4.448 3.146) 5.871 6.186 ( -3.051 1.294 2.461) 4.128 6.228 ( 2.170 2.002 1.617) 3.367 6.304 ( 3.392 1.624 2.379) 4.450 6.335 ( 0.334 1.951 1.012) 2.223 6.385 ( -1.526 3.738 -1.151) 4.198 7.131 ( -2.631 -1.781 0.988) 3.327 7.173 ( -4.334 1.603 -0.926) 4.712 7.460 ( 0.737 -1.588 1.516) 2.316 7.506 ( -0.735 1.471 1.578) 2.279 10.906 ( -1.600 1.887 -0.409) 2.508 10.975 ( 1.626 -0.796 1.289) 2.222 11.189 ( -0.525 -1.522 -0.027) 1.610 11.288 ( -1.243 2.948 0.180) 3.204 11.361 ( 1.470 3.560 -0.531) 3.888 11.454 ( -0.708 6.384 0.970) 6.496 11.506 ( -0.099 4.752 7.921) 9.238 11.838 ( 6.504 1.554 1.892) 6.950 12.957 ( -12.783 -8.372 -5.774) 16.335 13.453 ( 7.621 -10.916 -3.382) 13.736 13.851 ( -0.544 -0.674 0.094) 0.871 13.872 ( 0.323 -1.140 -0.153) 1.195 ======================= Grid point 116 (48/160) ======================= q-point: (-0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -4.004 2.375 3.560) 5.861 1.060 ( -7.443 3.770 -8.369) 11.818 1.138 ( -0.640 5.860 2.412) 6.370 1.318 ( -4.204 2.627 -1.304) 5.126 1.585 ( -5.585 2.770 7.014) 9.384 1.778 ( 9.471 -4.879 -1.602) 10.774 1.847 ( -12.964 2.097 -3.508) 13.593 1.921 ( 2.077 0.954 5.304) 5.775 2.077 ( -1.908 3.082 -7.985) 8.769 2.243 ( -0.936 5.817 6.776) 8.980 2.376 ( -8.060 0.466 -11.122) 13.744 2.454 ( 0.320 3.600 -3.614) 5.111 2.565 ( 5.778 -2.421 2.153) 6.624 2.706 ( 6.657 -0.258 -4.147) 7.847 2.872 ( 2.702 -2.541 -0.990) 3.839 2.971 ( -0.479 -1.579 0.002) 1.650 3.016 ( 5.419 -2.776 2.424) 6.554 3.208 ( 4.158 -1.793 2.169) 5.021 3.520 ( -0.772 -1.523 4.037) 4.383 3.546 ( 0.366 -4.147 -4.726) 6.298 3.694 ( 1.249 -9.946 1.310) 10.109 3.808 ( 4.931 -1.359 0.217) 5.119 3.894 ( 2.576 -7.632 -0.470) 8.068 3.977 ( -3.681 8.464 -4.283) 10.175 4.164 ( -5.418 -2.312 3.970) 7.104 4.456 ( -0.385 -3.643 -2.054) 4.200 4.475 ( 8.214 -15.106 -4.173) 17.694 4.528 ( 0.325 1.096 -0.432) 1.222 4.728 ( -5.591 -0.874 -2.889) 6.354 4.825 ( 0.254 5.732 4.635) 7.376 4.920 ( 4.915 4.874 1.078) 7.006 4.941 ( -1.066 -8.207 -3.657) 9.047 5.051 ( 2.749 9.331 -0.590) 9.745 5.199 ( 4.503 1.248 0.043) 4.673 5.368 ( -7.631 10.141 -1.288) 12.757 5.697 ( -1.027 -1.454 -1.797) 2.529 5.758 ( 2.287 -1.026 3.415) 4.236 5.897 ( -2.845 8.074 -2.893) 9.037 6.092 ( 2.895 -9.068 2.193) 9.768 6.173 ( -1.116 1.301 2.304) 2.872 6.287 ( 1.881 0.856 2.633) 3.347 6.328 ( 0.614 2.601 0.056) 2.674 6.401 ( 5.312 2.271 1.031) 5.868 6.412 ( 3.475 -0.073 2.691) 4.396 6.979 ( -9.702 -1.433 -2.935) 10.237 7.192 ( -0.578 -0.190 3.182) 3.239 7.460 ( -1.247 -2.579 -1.076) 3.060 7.484 ( -3.790 2.687 1.022) 4.757 10.868 ( -1.665 1.637 -1.314) 2.679 11.023 ( 2.006 -0.751 1.766) 2.776 11.175 ( -1.156 -0.981 -0.792) 1.710 11.266 ( -0.945 1.136 -0.028) 1.478 11.344 ( -1.124 4.510 -1.396) 4.853 11.441 ( -2.015 2.539 2.005) 3.811 11.646 ( 5.191 10.340 7.913) 14.017 11.978 ( 8.914 -0.017 -0.184) 8.916 12.661 ( -16.709 -6.531 -4.097) 18.402 13.544 ( 7.451 -10.029 -2.599) 12.762 13.839 ( -0.724 -0.700 -0.268) 1.043 13.879 ( 0.369 -1.332 0.233) 1.402 ======================= Grid point 117 (49/160) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -10.814 9.333 -12.014) 18.665 0.835 ( -13.302 11.292 -2.178) 17.584 1.172 ( -3.035 -1.529 8.330) 8.997 1.350 ( 0.853 -2.150 -0.258) 2.328 1.508 ( -13.004 6.951 -0.944) 14.775 1.613 ( -6.410 6.884 2.273) 9.677 1.618 ( -20.981 16.452 -0.656) 26.670 1.989 ( 4.443 -3.265 0.856) 5.580 2.149 ( 9.026 -3.392 -1.447) 9.750 2.225 ( 5.835 0.685 -6.000) 8.397 2.283 ( 6.125 0.676 -1.520) 6.347 2.472 ( -0.894 -2.916 2.351) 3.851 2.714 ( 4.380 -1.348 5.068) 6.833 2.796 ( 4.934 -1.636 5.610) 7.648 2.852 ( -4.978 -2.109 0.405) 5.422 2.977 ( 9.876 1.921 -0.460) 10.072 3.242 ( 6.219 -4.254 1.385) 7.661 3.320 ( 9.563 -0.460 0.192) 9.576 3.451 ( -2.304 -8.704 -5.312) 10.453 3.572 ( -0.721 0.627 3.574) 3.700 3.721 ( -1.234 -7.143 3.867) 8.215 3.870 ( 4.187 0.129 -8.129) 9.145 3.886 ( -4.315 8.024 7.347) 11.704 3.968 ( 6.319 -5.983 -1.278) 8.796 4.125 ( -2.587 -0.788 1.306) 3.003 4.371 ( -4.415 -7.504 -7.839) 11.716 4.445 ( -3.276 3.028 -3.198) 5.489 4.541 ( 2.443 -1.826 -4.797) 5.685 4.631 ( -2.785 0.060 -0.172) 2.791 4.791 ( -5.502 0.903 0.447) 5.593 4.985 ( 4.456 -5.098 5.272) 8.581 5.052 ( -1.348 4.678 -4.074) 6.348 5.065 ( 7.265 3.541 0.542) 8.100 5.148 ( -6.832 9.775 -0.107) 11.927 5.290 ( -0.180 1.825 -0.813) 2.006 5.662 ( -1.316 -1.172 -0.597) 1.861 5.805 ( -0.407 -0.167 1.253) 1.328 5.857 ( 1.205 8.514 -1.011) 8.658 6.139 ( 0.928 -4.689 3.362) 5.844 6.227 ( 4.588 -3.987 0.161) 6.080 6.319 ( -1.081 -0.564 3.435) 3.645 6.398 ( 5.643 -1.415 1.585) 6.030 6.483 ( 4.256 0.201 1.176) 4.420 6.528 ( 7.537 0.186 1.119) 7.622 6.804 ( -8.965 -0.762 -0.905) 9.043 7.185 ( -3.348 -1.183 0.349) 3.568 7.388 ( -4.101 -3.833 -4.748) 7.352 7.408 ( -6.455 2.383 -0.882) 6.937 10.831 ( -0.838 1.013 -1.767) 2.202 11.050 ( -0.561 -3.130 -1.091) 3.362 11.142 ( -0.681 0.905 -0.142) 1.141 11.263 ( -0.581 0.729 -0.074) 0.935 11.331 ( 1.573 6.881 0.098) 7.059 11.443 ( 0.108 -0.291 1.953) 1.977 11.822 ( 5.800 12.332 7.462) 15.537 12.053 ( 6.346 0.602 -12.628) 14.146 12.411 ( -15.435 -5.099 10.409) 19.303 13.617 ( 5.646 -8.831 -3.593) 11.080 13.824 ( -0.835 -0.698 -0.392) 1.156 13.881 ( -0.339 -1.385 -0.462) 1.499 ======================= Grid point 118 (50/160) ======================= q-point: (-0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -3.389 18.453 2.661) 18.950 0.604 ( -15.023 15.982 3.258) 22.175 1.093 ( -19.015 25.347 9.454) 33.067 1.178 ( -5.309 0.442 -1.346) 5.495 1.387 ( -0.635 4.632 -6.454) 7.970 1.432 ( -0.036 -0.466 -5.370) 5.390 1.753 ( 0.818 7.890 20.834) 22.293 2.024 ( 0.797 -2.268 -1.245) 2.707 2.152 ( 3.748 -5.922 -4.678) 8.426 2.291 ( 3.081 -5.114 2.480) 6.465 2.491 ( 6.142 -6.930 6.346) 11.226 2.542 ( 0.691 -6.432 12.236) 13.841 2.773 ( 4.322 3.017 -3.843) 6.523 2.837 ( 4.026 -2.457 -1.417) 4.925 2.989 ( 8.603 0.053 8.959) 12.421 3.078 ( 1.075 -0.753 -0.780) 1.527 3.264 ( -4.995 -9.641 -4.023) 11.580 3.349 ( 0.626 -2.092 4.717) 5.198 3.446 ( 1.380 -5.782 -8.840) 10.653 3.520 ( -7.762 8.675 3.544) 12.168 3.685 ( -7.592 4.160 2.470) 9.002 3.890 ( 9.171 0.068 -7.212) 11.667 3.977 ( -2.021 5.201 4.113) 6.932 4.011 ( 8.172 -1.921 -1.569) 8.540 4.130 ( 2.753 -8.537 1.256) 9.057 4.224 ( -1.639 -7.055 -2.495) 7.661 4.360 ( -2.462 4.385 -2.225) 5.499 4.500 ( -1.495 -2.017 -3.154) 4.031 4.626 ( -0.651 4.549 1.369) 4.795 4.733 ( -2.272 3.875 0.018) 4.492 4.897 ( -6.018 6.594 -0.905) 8.973 5.050 ( -5.346 2.245 3.821) 6.944 5.116 ( 1.167 4.671 -0.320) 4.825 5.191 ( 4.003 -0.404 -0.671) 4.079 5.291 ( 1.534 -2.116 1.801) 3.174 5.643 ( -1.065 -2.147 0.569) 2.463 5.807 ( -0.673 1.292 0.960) 1.745 5.869 ( 3.751 4.255 -4.572) 7.286 6.233 ( 0.739 0.347 -1.131) 1.395 6.290 ( 9.355 -7.428 5.687) 13.230 6.376 ( 3.798 -3.372 2.103) 5.497 6.483 ( 1.811 -2.650 2.061) 3.814 6.558 ( 3.005 -0.885 1.324) 3.401 6.655 ( 3.704 -0.810 -0.136) 3.793 6.704 ( -1.753 -0.038 1.398) 2.242 7.035 ( -11.358 -3.680 -10.224) 15.719 7.222 ( -6.037 1.474 -6.091) 8.702 7.285 ( -7.162 3.526 -0.410) 7.994 10.806 ( 0.005 0.289 -1.479) 1.507 11.003 ( -1.239 -4.610 -0.998) 4.877 11.161 ( 1.247 1.352 1.277) 2.239 11.234 ( -2.000 3.585 -0.684) 4.162 11.373 ( 1.826 6.931 0.207) 7.170 11.525 ( 8.747 -4.391 1.215) 9.863 11.820 ( -6.900 -3.785 -9.144) 12.064 12.055 ( 8.152 12.363 -3.679) 15.259 12.416 ( -7.279 -2.327 19.782) 21.207 13.625 ( 2.637 -5.019 -7.942) 9.758 13.801 ( -1.222 0.424 -0.702) 1.472 13.851 ( -1.722 0.469 -0.936) 2.015 ======================= Grid point 119 (51/160) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 2.817 12.858 -0.088) 13.163 0.918 ( 5.078 16.392 7.630) 18.780 1.203 ( 3.952 3.034 -1.601) 5.233 1.267 ( 0.206 -1.157 -8.499) 8.580 1.343 ( 3.358 2.954 -3.051) 5.414 1.849 ( 2.729 25.103 12.898) 28.354 1.939 ( -6.124 -0.959 3.254) 7.001 1.946 ( 0.249 -9.194 -5.466) 10.700 2.046 ( -6.913 15.716 4.226) 17.682 2.216 ( 2.652 -5.308 -2.362) 6.386 2.362 ( -5.183 -7.814 5.314) 10.778 2.532 ( -2.685 -8.816 10.962) 14.321 2.705 ( -2.767 -6.701 1.264) 7.359 2.827 ( -1.806 -4.393 -2.347) 5.298 2.935 ( -3.902 -5.954 0.136) 7.120 3.049 ( 4.122 2.562 -9.509) 10.676 3.254 ( 1.861 6.185 -1.016) 6.539 3.324 ( 3.771 -5.359 0.937) 6.620 3.496 ( 4.148 3.215 7.531) 9.180 3.604 ( -1.280 -2.170 0.328) 2.540 3.716 ( 3.361 3.434 -0.079) 4.806 3.809 ( -13.362 8.862 1.970) 16.154 3.953 ( -2.168 -6.340 -0.019) 6.700 4.065 ( 9.539 1.944 -8.192) 12.723 4.227 ( 3.423 4.708 4.870) 7.589 4.264 ( 4.370 -4.997 11.816) 13.553 4.437 ( 5.380 1.491 0.040) 5.583 4.470 ( -2.394 5.512 -0.151) 6.011 4.659 ( -6.803 2.813 -0.050) 7.362 4.758 ( 0.125 1.736 -1.617) 2.376 4.985 ( -3.239 -3.805 0.838) 5.067 5.047 ( 5.897 6.564 1.437) 8.940 5.133 ( -2.592 -8.806 0.094) 9.180 5.241 ( -0.428 8.145 -2.360) 8.491 5.304 ( 0.628 3.962 -1.087) 4.156 5.572 ( 1.068 -7.339 -1.080) 7.494 5.723 ( -2.627 -5.223 -5.080) 7.745 5.858 ( 1.430 -1.666 1.711) 2.783 6.127 ( -1.692 -0.575 -5.179) 5.478 6.265 ( 2.076 -7.006 1.938) 7.560 6.392 ( 0.967 -2.435 0.118) 2.622 6.442 ( -1.550 -2.555 -1.307) 3.262 6.495 ( -7.787 -0.533 -0.170) 7.807 6.611 ( 0.476 -4.552 -1.448) 4.801 6.747 ( 0.252 3.883 2.372) 4.557 7.018 ( 6.550 1.063 0.571) 6.660 7.185 ( 1.234 1.143 -1.501) 2.254 7.272 ( -1.365 3.647 -1.147) 4.060 10.819 ( 1.483 1.697 -1.898) 2.946 10.944 ( 1.618 -2.649 0.692) 3.180 11.205 ( -0.833 1.810 1.070) 2.262 11.280 ( -0.571 3.690 -1.121) 3.899 11.432 ( -2.565 -1.309 -4.872) 5.660 11.479 ( 0.013 1.232 -1.922) 2.283 11.721 ( 7.562 -3.361 2.225) 8.569 11.964 ( -6.195 -4.694 -8.811) 11.750 12.696 ( -2.405 12.091 14.413) 18.966 13.548 ( 2.375 -5.379 -3.818) 7.011 13.818 ( 0.904 0.909 -0.029) 1.283 13.834 ( -0.881 0.171 0.356) 0.966 ======================= Grid point 120 (52/160) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 12.638 5.653 0.703) 13.863 1.091 ( 4.325 7.749 7.262) 11.467 1.193 ( 2.504 0.492 -2.133) 3.325 1.282 ( 3.240 6.512 0.229) 7.278 1.402 ( 7.274 3.273 -3.649) 8.772 1.811 ( -4.106 -6.899 -5.361) 9.654 1.869 ( -9.200 7.387 -3.988) 12.455 1.955 ( -3.498 -1.571 5.526) 6.726 2.007 ( -2.595 14.892 -0.231) 15.118 2.233 ( 3.918 4.691 6.798) 9.141 2.309 ( -7.129 -4.490 3.957) 9.308 2.558 ( -0.773 -3.767 -2.056) 4.361 2.722 ( 3.787 -7.441 6.728) 10.723 2.813 ( -1.591 -3.877 0.798) 4.266 2.921 ( -5.479 -0.994 3.318) 6.482 3.041 ( 1.397 -4.279 5.488) 7.098 3.294 ( 1.314 2.773 0.596) 3.126 3.333 ( -0.861 -10.768 -8.383) 13.673 3.442 ( -2.967 -2.894 -0.438) 4.168 3.574 ( -17.988 8.323 3.668) 20.157 3.726 ( 2.155 5.269 1.535) 5.896 3.785 ( 3.064 8.028 2.432) 8.931 3.876 ( -2.971 -1.288 0.931) 3.370 4.125 ( 3.271 -1.119 -1.362) 3.715 4.194 ( -6.152 4.006 -1.668) 7.528 4.412 ( 0.183 -0.810 -0.714) 1.095 4.492 ( -0.081 -3.248 11.954) 12.388 4.565 ( 6.196 3.019 1.843) 7.135 4.639 ( 2.625 1.942 2.005) 3.832 4.716 ( -0.957 2.151 -5.506) 5.989 4.919 ( -2.932 -1.699 1.679) 3.781 5.088 ( 0.049 -2.639 -2.891) 3.914 5.194 ( 6.379 1.227 1.413) 6.648 5.221 ( 0.628 5.680 -0.870) 5.781 5.315 ( 2.539 2.809 -1.815) 4.199 5.534 ( -0.636 -13.497 -7.059) 15.245 5.688 ( 1.343 0.674 1.592) 2.190 5.908 ( 3.428 -1.996 0.289) 3.977 6.035 ( -3.797 0.967 -2.338) 4.563 6.278 ( -3.567 -1.262 3.137) 4.915 6.348 ( -1.623 -3.684 -4.433) 5.988 6.375 ( -1.920 -2.483 -1.402) 3.438 6.426 ( -5.320 -0.129 3.094) 6.155 6.559 ( -4.201 -3.682 -2.765) 6.233 6.812 ( 4.507 3.070 3.315) 6.382 7.105 ( 3.249 -1.844 -0.968) 3.860 7.232 ( 5.717 1.704 -1.840) 6.243 7.305 ( 7.099 3.120 -2.161) 8.050 10.834 ( 2.421 1.890 -1.128) 3.271 10.965 ( 1.275 -2.271 -2.680) 3.737 11.185 ( -1.551 2.441 0.437) 2.925 11.266 ( -0.785 1.299 0.013) 1.518 11.345 ( -1.512 0.323 -1.774) 2.353 11.506 ( 3.452 3.580 -0.363) 4.987 11.754 ( -6.528 -2.101 -8.948) 11.274 11.911 ( 11.771 -4.967 0.584) 12.789 12.764 ( -8.364 9.842 15.029) 19.817 13.496 ( -2.701 -6.958 -4.727) 8.835 13.832 ( -0.022 0.196 0.274) 0.338 13.838 ( 1.284 0.355 0.030) 1.333 ======================= Grid point 121 (53/160) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -2.876 1.070 -5.751) 6.518 1.195 ( 1.822 -1.252 5.019) 5.485 1.314 ( 7.786 11.675 5.678) 15.138 1.368 ( 9.481 0.789 -2.400) 9.812 1.441 ( 2.895 2.909 -4.032) 5.753 1.722 ( 1.196 10.018 -4.222) 10.937 1.767 ( 0.860 -6.513 1.742) 6.797 1.807 ( -9.003 5.605 -3.349) 11.122 2.064 ( 5.213 -2.306 0.600) 5.732 2.167 ( -7.650 -6.532 0.517) 10.073 2.397 ( -2.144 6.034 5.149) 8.217 2.609 ( 1.272 -1.046 6.542) 6.746 2.700 ( -4.494 3.004 -1.262) 5.550 2.863 ( 1.875 -7.893 4.362) 9.211 2.921 ( 2.894 -2.990 -3.676) 5.553 3.029 ( -12.345 -3.372 -2.419) 13.024 3.192 ( -2.229 -9.167 0.204) 9.436 3.302 ( -5.868 2.539 8.187) 10.388 3.355 ( -8.237 1.124 1.132) 8.390 3.475 ( 3.639 -4.966 1.535) 6.345 3.698 ( -3.044 2.912 -3.296) 5.349 3.838 ( 0.690 3.939 5.555) 6.844 3.911 ( -1.616 4.707 2.846) 5.733 4.065 ( -0.434 3.792 -4.020) 5.543 4.145 ( -2.583 -0.844 0.288) 2.732 4.400 ( -1.216 -3.215 0.089) 3.438 4.484 ( -11.780 -5.326 -2.169) 13.109 4.565 ( -1.772 -0.284 4.756) 5.083 4.696 ( 4.893 5.312 -2.252) 7.565 4.781 ( 4.903 -3.725 4.390) 7.562 4.953 ( 3.996 5.783 0.002) 7.030 5.059 ( -1.810 -0.477 -0.348) 1.904 5.204 ( 1.301 7.472 -2.769) 8.074 5.222 ( -5.700 -9.079 -0.696) 10.742 5.363 ( 7.020 4.283 -2.776) 8.680 5.493 ( 4.971 -6.249 -4.736) 9.284 5.745 ( 1.514 1.548 3.102) 3.783 5.910 ( 0.798 1.309 -7.103) 7.266 6.029 ( -0.041 -4.707 8.159) 9.420 6.241 ( -2.966 -1.593 -1.234) 3.585 6.297 ( -3.522 -1.961 0.892) 4.129 6.345 ( 0.024 0.299 0.392) 0.494 6.382 ( -1.901 1.665 0.505) 2.577 6.455 ( -4.371 -0.282 -2.547) 5.067 6.937 ( 6.381 -0.418 2.436) 6.843 7.146 ( 3.066 1.284 1.375) 3.597 7.283 ( 5.290 -0.017 -5.355) 7.528 7.396 ( 6.284 2.875 -2.077) 7.216 10.869 ( 2.847 2.023 -0.347) 3.510 10.930 ( 0.295 -0.744 -4.536) 4.606 11.186 ( -0.133 0.691 1.429) 1.593 11.254 ( -0.302 1.536 0.230) 1.582 11.335 ( 0.859 1.829 -1.416) 2.467 11.528 ( 1.078 0.701 -5.779) 5.920 11.619 ( -1.504 4.208 0.318) 4.480 12.056 ( 5.068 0.397 -0.688) 5.130 12.796 ( -6.179 0.934 13.807) 15.155 13.377 ( -5.036 -10.153 -5.357) 12.535 13.834 ( 0.121 0.098 -0.065) 0.169 13.855 ( 0.646 -0.159 0.237) 0.707 ======================= Grid point 122 (54/160) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -8.917 5.378 -5.660) 11.852 1.282 ( -1.453 4.346 -4.848) 6.671 1.316 ( 3.586 -4.660 6.203) 8.547 1.485 ( 4.618 5.396 2.056) 7.394 1.554 ( 2.734 8.944 1.707) 9.507 1.740 ( 3.092 0.300 3.650) 4.793 1.765 ( 4.243 7.730 1.151) 8.893 1.862 ( 8.146 -0.693 -4.765) 9.462 1.994 ( 2.258 -1.921 -8.153) 8.675 2.227 ( -1.614 -4.529 6.045) 7.724 2.360 ( -3.204 -1.267 3.887) 5.194 2.457 ( -9.902 -0.891 -3.945) 10.696 2.674 ( -13.019 1.275 -6.689) 14.692 2.818 ( 0.052 -5.870 0.293) 5.878 2.895 ( 2.659 -6.208 1.839) 6.999 2.967 ( -3.976 -3.845 4.372) 7.051 3.127 ( -2.050 0.043 0.376) 2.084 3.301 ( 1.386 -7.461 -0.946) 7.647 3.414 ( -3.100 0.556 11.881) 12.291 3.524 ( 1.403 -6.835 -0.854) 7.030 3.578 ( -4.982 0.030 -4.760) 6.890 3.857 ( -3.768 -1.178 0.933) 4.056 3.934 ( 0.142 0.116 7.693) 7.696 4.073 ( 4.964 6.535 -6.507) 10.473 4.092 ( -0.875 -3.934 -1.914) 4.462 4.260 ( -7.751 -3.083 -5.960) 10.252 4.385 ( -4.909 -4.311 3.251) 7.297 4.581 ( -2.862 -2.298 4.025) 5.447 4.697 ( -0.366 4.155 -1.012) 4.292 4.879 ( 1.556 -3.797 1.629) 4.415 4.955 ( -2.852 2.294 -4.871) 6.093 5.021 ( -0.370 4.630 0.028) 4.645 5.136 ( -3.298 -0.925 0.864) 3.532 5.219 ( 2.042 4.290 1.199) 4.900 5.432 ( 6.718 5.989 -4.362) 10.001 5.549 ( 5.076 -0.457 -1.494) 5.311 5.788 ( 0.044 2.290 2.006) 3.045 5.875 ( 1.875 -2.073 -1.886) 3.372 6.128 ( 0.552 -4.949 6.057) 7.841 6.168 ( -0.994 -3.891 -2.979) 5.000 6.258 ( -4.684 1.661 3.553) 6.109 6.320 ( -2.911 -0.262 -0.408) 2.951 6.380 ( -0.777 3.470 -0.206) 3.562 6.413 ( 2.279 3.999 -1.139) 4.741 7.062 ( 6.663 -1.922 2.734) 7.454 7.238 ( 4.297 5.283 2.811) 7.368 7.284 ( 2.924 -3.793 -5.635) 7.395 7.448 ( 3.204 3.700 -2.026) 5.298 10.895 ( 1.207 0.211 -3.093) 3.327 10.914 ( 2.366 1.401 0.241) 2.760 11.196 ( -1.265 -0.726 2.385) 2.796 11.261 ( 0.612 1.678 -1.163) 2.132 11.322 ( 2.191 3.004 -2.646) 4.564 11.508 ( 3.162 2.608 -1.662) 4.423 11.634 ( -0.681 8.044 1.843) 8.281 12.042 ( -5.096 8.038 -0.497) 9.530 12.874 ( -0.406 -11.167 8.977) 14.333 13.237 ( -4.730 -13.798 -5.378) 15.546 13.836 ( 0.228 -0.067 -0.126) 0.269 13.862 ( 0.002 -0.558 0.167) 0.582 ======================= Grid point 123 (55/160) ======================= q-point: ( 0.40 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -4.937 9.525 2.840) 11.098 1.226 ( -1.423 5.212 0.001) 5.403 1.434 ( 3.450 -6.494 0.919) 7.411 1.548 ( -1.079 6.085 8.403) 10.431 1.608 ( 0.630 6.426 -6.177) 8.936 1.684 ( 0.003 10.269 -3.043) 10.711 1.875 ( 2.376 3.296 0.566) 4.102 1.942 ( 7.121 0.890 -3.477) 7.975 2.079 ( 6.853 -1.531 2.337) 7.401 2.101 ( -6.671 -1.645 -4.800) 8.381 2.292 ( -0.063 -0.366 -2.452) 2.480 2.490 ( 4.029 -9.496 6.135) 12.002 2.534 ( -1.682 -2.480 2.040) 3.625 2.699 ( -7.124 -6.935 -3.270) 10.466 2.937 ( -3.296 -3.135 7.284) 8.587 2.993 ( -5.417 -3.009 -0.422) 6.211 3.068 ( 1.485 0.894 -4.457) 4.782 3.321 ( 0.675 -6.886 -2.486) 7.352 3.355 ( -7.978 -6.023 0.792) 10.028 3.521 ( 3.144 -3.212 -1.689) 4.801 3.537 ( -3.285 -6.090 4.329) 8.163 3.832 ( 0.076 -4.497 -1.011) 4.610 3.948 ( -3.322 -5.525 -1.066) 6.534 4.074 ( 0.971 -9.451 -0.801) 9.535 4.081 ( 2.605 0.537 -6.828) 7.328 4.157 ( 3.889 0.840 -5.110) 6.476 4.309 ( -6.577 -0.191 -0.408) 6.593 4.544 ( -4.108 -3.788 -1.156) 5.707 4.704 ( 0.432 0.160 1.766) 1.825 4.812 ( -5.822 -3.065 1.949) 6.862 4.951 ( 3.211 10.375 -0.235) 10.863 4.996 ( -3.039 9.264 0.559) 9.766 5.119 ( 0.187 2.301 -0.376) 2.339 5.264 ( 1.129 1.258 0.186) 1.700 5.503 ( 6.445 5.713 -0.935) 8.664 5.610 ( 3.232 3.087 0.737) 4.530 5.788 ( -2.095 2.327 1.172) 3.343 5.898 ( 1.192 -4.264 -0.304) 4.438 6.121 ( 0.736 -4.159 -1.250) 4.405 6.207 ( -0.275 -0.257 3.732) 3.751 6.225 ( -2.746 0.252 1.978) 3.393 6.268 ( -3.148 1.290 0.776) 3.489 6.409 ( 0.399 5.519 -2.033) 5.895 6.419 ( 1.968 3.131 3.213) 4.899 7.208 ( 4.943 0.073 2.142) 5.387 7.227 ( 1.557 -2.508 -4.429) 5.323 7.334 ( 1.889 1.319 1.132) 2.567 7.470 ( 1.412 4.220 0.815) 4.524 10.894 ( 1.660 0.299 -1.234) 2.090 10.952 ( 1.439 1.220 0.785) 2.043 11.202 ( -2.067 -0.307 3.541) 4.112 11.255 ( 0.974 0.294 0.066) 1.019 11.366 ( 4.365 6.123 -0.985) 7.584 11.564 ( 4.469 6.390 -1.041) 7.867 11.621 ( -2.055 8.346 0.961) 8.648 11.927 ( -8.180 9.385 0.479) 12.459 12.942 ( -0.050 -16.710 3.055) 16.987 13.125 ( -1.953 -17.320 -5.054) 18.148 13.838 ( 0.257 -0.345 -0.160) 0.459 13.860 ( -0.281 -0.885 -0.069) 0.931 ======================= Grid point 124 (56/160) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.133 10.216 10.496) 14.648 1.211 ( -1.003 4.524 -1.602) 4.903 1.403 ( -3.429 1.638 -6.186) 7.260 1.482 ( -1.735 -2.535 -2.605) 4.027 1.610 ( -3.532 8.222 4.592) 10.058 1.741 ( 8.205 2.224 0.065) 8.502 1.862 ( -7.123 4.924 -3.055) 9.183 1.952 ( 5.464 -2.214 -6.377) 8.684 2.015 ( 3.212 6.438 1.547) 7.360 2.249 ( 4.371 0.915 7.769) 8.961 2.414 ( 8.912 -0.494 5.372) 10.418 2.505 ( -6.303 -4.517 -3.513) 8.513 2.535 ( -0.628 -5.566 3.109) 6.406 2.672 ( 0.164 -11.960 4.580) 12.808 2.770 ( -6.874 -0.542 -7.268) 10.018 2.976 ( -0.323 -1.424 2.348) 2.765 3.083 ( 2.160 3.288 -5.362) 6.651 3.217 ( -3.535 -6.934 -1.755) 7.979 3.358 ( 0.329 -8.474 1.587) 8.628 3.501 ( -3.840 -5.426 2.205) 7.004 3.577 ( 5.473 -3.118 -2.100) 6.640 3.763 ( -5.405 -12.125 -4.586) 14.045 3.927 ( 1.073 -0.764 -1.400) 1.922 4.014 ( -1.082 -8.946 -6.076) 10.868 4.037 ( -0.750 -8.477 -7.159) 11.121 4.177 ( 6.784 8.338 -5.799) 12.214 4.270 ( 2.297 -7.406 2.101) 8.034 4.444 ( -2.667 -6.082 -5.674) 8.735 4.733 ( 0.327 -2.763 2.996) 4.089 4.811 ( 0.124 4.639 4.477) 6.449 4.960 ( -3.284 7.434 2.030) 8.377 5.008 ( 2.520 8.033 0.905) 8.467 5.114 ( 0.385 3.642 -1.262) 3.874 5.252 ( -0.220 3.327 -2.654) 4.262 5.602 ( 3.303 3.221 3.402) 5.732 5.657 ( 0.192 6.899 1.860) 7.148 5.758 ( -1.673 -0.319 -0.016) 1.704 5.901 ( 0.793 -4.532 -1.234) 4.764 6.113 ( -2.181 0.689 0.476) 2.336 6.220 ( -0.388 1.181 2.805) 3.068 6.228 ( -2.462 -0.079 2.743) 3.686 6.265 ( 1.512 1.906 2.123) 3.229 6.381 ( -0.355 4.727 -1.067) 4.859 6.490 ( 0.514 3.482 3.101) 4.691 7.142 ( -1.854 -1.293 -4.402) 4.949 7.280 ( -0.567 -3.591 -4.305) 5.635 7.380 ( 1.653 3.772 6.205) 7.448 7.517 ( 1.238 3.334 2.773) 4.510 10.918 ( 1.754 0.742 0.650) 2.012 10.971 ( -0.254 1.237 0.696) 1.442 11.203 ( -2.634 0.902 3.296) 4.315 11.306 ( 1.937 0.680 4.216) 4.689 11.409 ( 2.289 6.429 -1.226) 6.934 11.568 ( -1.442 6.275 0.897) 6.500 11.640 ( 0.737 10.635 -0.828) 10.692 11.842 ( -0.787 6.290 0.304) 6.347 12.908 ( -6.095 -16.396 -1.621) 17.567 13.091 ( 4.934 -19.614 -4.420) 20.702 13.840 ( 0.150 -0.648 -0.164) 0.685 13.853 ( -0.193 -1.113 -0.430) 1.208 ======================= Grid point 125 (57/160) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.044 7.443 7.575) 10.620 1.145 ( -1.144 2.439 -4.355) 5.121 1.309 ( -0.514 2.970 -6.419) 7.091 1.490 ( 3.722 -6.248 -0.131) 7.274 1.575 ( -5.086 6.066 -1.702) 8.097 1.725 ( -3.518 4.017 2.233) 5.788 1.849 ( 0.813 1.790 2.561) 3.228 1.965 ( 2.361 -1.414 -4.452) 5.234 2.120 ( 2.492 7.098 7.603) 10.696 2.302 ( -7.020 -0.167 0.328) 7.030 2.414 ( -3.447 -2.612 5.214) 6.774 2.526 ( 1.988 0.469 0.360) 2.074 2.604 ( 9.383 3.687 5.242) 11.363 2.689 ( 1.236 -4.814 -5.410) 7.347 2.763 ( 5.469 -2.129 -0.023) 5.869 2.929 ( -2.445 -0.753 -5.780) 6.321 3.038 ( -0.679 -0.023 -3.405) 3.472 3.130 ( -4.862 -2.223 -1.710) 5.613 3.368 ( -1.203 -10.463 1.704) 10.669 3.524 ( 1.604 -7.329 0.036) 7.503 3.574 ( -1.533 -4.814 -9.888) 11.104 3.677 ( 4.805 -6.402 2.371) 8.348 3.852 ( -3.513 5.978 -1.762) 7.154 3.984 ( 7.246 -13.990 -9.141) 18.215 4.032 ( 4.884 -7.444 -1.892) 9.101 4.231 ( 2.071 1.252 -2.833) 3.726 4.337 ( 2.735 -8.544 -0.333) 8.977 4.394 ( 4.747 -5.926 -1.516) 7.743 4.786 ( 0.940 0.671 4.254) 4.408 4.835 ( -1.917 0.524 -1.986) 2.809 4.946 ( -0.591 6.163 1.180) 6.303 5.034 ( 1.650 2.243 0.960) 2.946 5.115 ( 0.885 3.919 -0.392) 4.037 5.229 ( 1.132 7.343 -2.307) 7.779 5.623 ( -4.960 5.248 2.289) 7.575 5.679 ( -0.738 1.831 3.383) 3.917 5.740 ( -0.580 0.333 -0.735) 0.993 5.911 ( 2.208 -4.920 -1.191) 5.522 6.073 ( -3.390 3.469 0.713) 4.903 6.199 ( -3.579 0.634 3.286) 4.900 6.279 ( 0.689 2.720 5.292) 5.990 6.331 ( 3.540 1.516 1.849) 4.272 6.384 ( 0.809 3.382 0.741) 3.556 6.474 ( -3.513 4.119 -1.223) 5.550 7.073 ( -3.985 -3.489 -1.457) 5.494 7.198 ( -2.025 -0.329 -3.547) 4.097 7.448 ( -1.149 1.320 4.241) 4.588 7.551 ( -0.458 2.916 2.074) 3.607 10.949 ( -0.886 2.311 0.193) 2.482 10.967 ( 0.554 0.257 1.490) 1.610 11.192 ( -2.084 1.638 1.852) 3.233 11.351 ( -3.059 3.064 3.475) 5.552 11.437 ( 1.508 3.384 0.473) 3.735 11.567 ( -2.674 7.673 -0.234) 8.129 11.614 ( 0.910 4.448 4.447) 6.355 11.924 ( 9.479 8.261 -1.200) 12.631 12.732 ( -10.456 -14.878 -5.492) 18.996 13.167 ( 8.696 -18.313 -2.657) 20.446 13.837 ( -0.281 -0.748 -0.287) 0.849 13.850 ( 0.454 -1.100 -0.390) 1.253 ======================= Grid point 126 (58/160) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.571 4.638 -0.468) 4.697 1.132 ( 0.912 3.107 0.485) 3.274 1.196 ( -0.091 1.612 -9.874) 10.005 1.396 ( -10.843 5.798 -2.329) 12.515 1.580 ( 6.552 -5.551 -3.423) 9.244 1.770 ( -2.686 5.333 8.960) 10.768 1.890 ( -3.858 1.970 1.943) 4.748 1.957 ( 3.279 3.879 7.067) 8.703 2.139 ( 0.083 2.034 -0.913) 2.231 2.268 ( -7.138 -3.707 4.074) 9.016 2.457 ( -9.003 9.369 2.425) 13.218 2.516 ( 1.792 -2.017 -4.995) 5.677 2.542 ( 2.668 3.211 -7.686) 8.747 2.679 ( -1.005 -1.865 -3.635) 4.207 2.876 ( 6.147 2.676 2.758) 7.249 2.968 ( 1.883 2.783 -1.546) 3.699 3.009 ( 10.764 1.734 -0.623) 10.921 3.128 ( 4.042 -5.600 3.842) 7.903 3.357 ( -1.720 -11.343 -5.388) 12.675 3.401 ( -0.787 -12.027 1.692) 12.171 3.641 ( 4.912 0.231 -1.976) 5.299 3.796 ( 5.379 -1.426 3.121) 6.380 3.821 ( 1.474 4.165 -0.698) 4.473 3.994 ( 4.643 -5.425 -7.131) 10.092 4.138 ( 3.199 -9.990 -0.198) 10.491 4.158 ( 4.624 -10.975 -8.773) 14.791 4.388 ( 1.885 -0.824 1.175) 2.369 4.502 ( 5.893 -4.842 3.207) 8.274 4.710 ( -7.310 -0.204 -4.539) 8.608 4.816 ( -0.666 -1.111 0.029) 1.295 4.972 ( 1.837 6.341 1.837) 6.852 5.066 ( 0.104 7.286 -0.044) 7.287 5.172 ( 5.219 -1.882 1.638) 5.785 5.231 ( 2.355 6.779 -2.259) 7.523 5.535 ( -7.996 6.646 0.178) 10.399 5.652 ( -4.117 -3.188 0.336) 5.217 5.744 ( -0.879 0.102 3.215) 3.335 5.931 ( 0.449 -6.744 0.108) 6.760 6.027 ( -1.015 5.575 -2.019) 6.016 6.206 ( -0.617 1.932 4.282) 4.738 6.328 ( -1.744 1.566 3.939) 4.584 6.375 ( -1.265 3.357 -0.310) 3.601 6.415 ( 0.652 0.458 1.513) 1.710 6.437 ( 4.213 1.411 0.925) 4.538 6.951 ( -7.340 -1.014 -3.020) 8.001 7.171 ( -0.635 -2.082 0.621) 2.263 7.430 ( -4.166 0.127 0.341) 4.182 7.541 ( -3.531 2.602 1.495) 4.634 10.908 ( -2.188 2.402 -1.404) 3.540 11.003 ( 0.499 -0.947 1.388) 1.753 11.181 ( -1.225 1.806 0.953) 2.381 11.310 ( -4.046 2.671 0.966) 4.943 11.431 ( -2.480 3.473 2.080) 4.748 11.527 ( 0.108 7.150 -2.617) 7.615 11.759 ( 4.378 -0.422 9.907) 10.839 12.066 ( 9.963 10.259 -2.179) 14.465 12.488 ( -11.435 -10.954 -5.559) 16.783 13.289 ( 9.453 -15.753 -2.050) 18.486 13.828 ( -0.198 -0.399 -0.474) 0.650 13.856 ( 0.437 -1.020 0.126) 1.117 ======================= Grid point 127 (59/160) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -1.501 10.978 -7.647) 13.463 1.082 ( -3.157 11.166 -4.264) 12.362 1.152 ( -5.517 1.453 1.022) 5.796 1.314 ( 2.449 -0.989 3.640) 4.497 1.558 ( -3.723 1.287 -4.046) 5.647 1.715 ( -7.053 2.305 -0.196) 7.423 1.953 ( 4.146 0.865 2.063) 4.711 2.064 ( -12.569 20.241 4.246) 24.201 2.094 ( 6.418 -1.041 1.546) 6.683 2.174 ( -2.749 -1.529 -0.971) 3.292 2.301 ( -0.244 1.191 -11.956) 12.017 2.422 ( -2.485 -1.931 7.033) 7.705 2.637 ( 2.152 -4.756 6.249) 8.142 2.778 ( 3.380 -3.727 4.139) 6.515 2.912 ( 1.565 6.689 6.972) 9.788 2.992 ( 4.406 1.248 -4.655) 6.530 3.157 ( 7.075 -2.496 -4.847) 8.932 3.280 ( 0.689 -6.432 -4.022) 7.617 3.320 ( 12.082 -0.428 1.070) 12.137 3.525 ( 7.232 -10.185 8.619) 15.176 3.639 ( -1.918 1.543 -0.591) 2.532 3.845 ( 3.150 -1.324 -2.407) 4.179 3.902 ( 3.726 1.754 -1.611) 4.423 3.965 ( 3.384 -2.540 -9.510) 10.409 4.071 ( 1.387 -7.142 0.495) 7.292 4.248 ( 2.859 -10.374 -3.834) 11.424 4.374 ( -4.281 6.177 0.383) 7.525 4.562 ( -2.150 -1.842 -0.786) 2.938 4.668 ( 5.568 0.172 4.137) 6.939 4.797 ( 0.039 -1.715 -1.414) 2.223 4.965 ( -4.115 4.838 2.703) 6.903 5.100 ( 3.440 3.336 -1.883) 5.148 5.184 ( -3.137 3.422 -2.125) 5.105 5.282 ( 2.903 3.497 0.465) 4.569 5.393 ( -7.242 8.808 -1.246) 11.471 5.600 ( -1.995 -6.204 -0.316) 6.525 5.772 ( -0.743 -2.603 4.690) 5.415 5.908 ( -3.796 -6.177 0.356) 7.259 6.028 ( 4.696 2.416 -2.296) 5.759 6.251 ( 2.461 2.420 -0.435) 3.479 6.320 ( -3.476 -0.030 4.175) 5.433 6.377 ( 2.198 -0.269 0.444) 2.258 6.459 ( 1.519 -1.995 2.352) 3.438 6.531 ( 5.735 -0.693 0.964) 5.857 6.817 ( -6.134 2.517 -0.904) 6.692 7.146 ( -3.378 -2.619 -1.207) 4.441 7.332 ( -6.159 -0.698 -2.313) 6.616 7.470 ( -6.632 2.340 0.419) 7.046 10.861 ( -1.172 2.004 -2.136) 3.155 10.989 ( -2.407 -2.517 -1.203) 3.684 11.176 ( -0.110 2.427 0.672) 2.521 11.283 ( -0.150 1.238 0.634) 1.399 11.432 ( -1.000 3.225 3.411) 4.800 11.501 ( -0.471 6.072 -1.766) 6.341 11.871 ( 0.201 -4.520 -1.333) 4.717 12.148 ( -0.938 -0.131 1.339) 1.640 12.354 ( 1.475 6.127 2.665) 6.843 13.410 ( 8.670 -12.057 -2.323) 15.031 13.820 ( -0.242 0.178 -0.387) 0.490 13.862 ( -0.227 -0.822 0.285) 0.899 ======================= Grid point 128 (60/160) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 1.586 18.601 0.041) 18.668 0.919 ( -8.745 15.394 -2.219) 17.843 1.152 ( 2.807 -1.627 -0.050) 3.245 1.341 ( -2.819 4.327 -1.093) 5.279 1.424 ( -0.461 0.058 -11.759) 11.768 1.700 ( 0.995 12.093 7.647) 14.343 1.942 ( -5.075 4.829 3.463) 7.815 2.024 ( -0.297 14.182 5.889) 15.359 2.077 ( -4.105 -0.750 -5.820) 7.161 2.186 ( 2.097 -5.900 0.186) 6.264 2.296 ( 3.220 -8.271 5.500) 10.442 2.493 ( -4.672 -1.837 11.625) 12.663 2.694 ( -0.743 -8.912 1.835) 9.129 2.864 ( 3.092 0.652 -0.249) 3.170 2.972 ( 0.326 -5.662 2.205) 6.085 3.076 ( 9.576 7.857 -8.651) 15.109 3.201 ( 4.749 0.456 1.023) 4.880 3.271 ( -1.075 -3.455 1.954) 4.113 3.391 ( 0.475 -0.756 -3.449) 3.563 3.620 ( -1.190 2.021 3.036) 3.837 3.715 ( 2.408 -4.241 -0.119) 4.878 3.844 ( 4.782 -5.680 -0.815) 7.469 3.919 ( 9.328 -3.858 -4.271) 10.961 4.012 ( 4.233 1.028 -2.001) 4.794 4.130 ( -8.195 3.564 6.789) 11.223 4.162 ( 3.231 3.628 0.383) 4.873 4.368 ( 3.430 -0.168 -1.635) 3.803 4.530 ( -2.667 1.265 -0.450) 2.986 4.743 ( -2.010 7.236 3.339) 8.219 4.782 ( -2.299 0.615 -0.210) 2.390 4.968 ( 1.315 -4.456 -0.879) 4.728 5.035 ( -2.922 2.898 -1.262) 4.304 5.155 ( -0.726 -1.989 0.991) 2.338 5.292 ( -3.091 9.634 -0.682) 10.141 5.311 ( -0.398 3.779 -0.939) 3.914 5.576 ( -0.399 -5.750 -0.959) 5.843 5.817 ( 0.020 -0.777 2.682) 2.792 5.828 ( -3.799 -7.214 -2.360) 8.488 6.122 ( 7.571 -3.836 -0.494) 8.502 6.237 ( -0.560 -1.292 -2.760) 3.099 6.349 ( 2.540 -0.271 1.579) 3.003 6.430 ( 1.939 -2.837 1.356) 3.695 6.515 ( 1.654 -3.330 3.133) 4.862 6.622 ( 3.529 -3.592 -0.453) 5.056 6.747 ( -3.249 4.770 1.370) 5.932 7.022 ( -5.600 1.154 -4.561) 7.314 7.227 ( -3.728 -0.047 -1.669) 4.085 7.355 ( -7.140 2.623 -0.339) 7.614 10.829 ( 0.250 1.728 -2.384) 2.955 10.937 ( -1.542 -2.280 -0.485) 2.795 11.192 ( 0.742 1.934 0.774) 2.211 11.293 ( 0.107 2.443 0.004) 2.445 11.463 ( 0.458 0.669 -0.337) 0.878 11.489 ( 2.152 2.925 -0.107) 3.633 11.742 ( -6.213 -4.199 -6.507) 9.929 12.108 ( -3.887 -6.531 -2.175) 7.905 12.523 ( 5.249 13.589 11.909) 18.816 13.507 ( 6.849 -7.536 -2.844) 10.573 13.814 ( -0.081 0.751 -0.179) 0.776 13.851 ( -1.277 -0.244 0.114) 1.305 ======================= Grid point 129 (61/160) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.593 5.325 -5.785) 7.885 1.147 ( 3.068 0.920 1.311) 3.461 1.226 ( -1.679 4.619 -4.108) 6.405 1.288 ( 3.007 4.326 1.910) 5.603 1.420 ( 4.786 5.722 -3.490) 8.235 1.750 ( 2.998 -8.667 -8.811) 12.717 1.960 ( -2.404 2.468 -2.485) 4.248 2.069 ( -3.523 -2.439 5.693) 7.125 2.162 ( -1.898 -0.190 -0.062) 1.908 2.264 ( 4.896 1.309 8.516) 9.910 2.334 ( -2.654 -3.815 1.807) 4.986 2.409 ( -0.195 2.863 7.448) 7.982 2.590 ( -4.765 -1.497 3.753) 6.247 2.862 ( -5.089 -5.557 0.941) 7.593 2.915 ( -2.707 15.907 -0.636) 16.149 3.115 ( 0.404 2.185 -3.379) 4.044 3.169 ( -2.146 -0.372 -0.689) 2.284 3.370 ( 2.844 0.329 -0.557) 2.917 3.446 ( -4.326 -6.733 -6.833) 10.523 3.629 ( 5.898 3.927 12.455) 14.330 3.787 ( 1.021 -6.622 -2.187) 7.048 3.826 ( 8.756 6.628 -1.366) 11.066 3.987 ( 2.603 3.146 1.946) 4.523 4.097 ( 4.458 -2.881 4.650) 7.057 4.217 ( -5.502 6.865 9.025) 12.603 4.365 ( 0.662 6.649 1.404) 6.828 4.496 ( 3.560 5.347 1.123) 6.521 4.517 ( -1.934 0.452 0.339) 2.015 4.695 ( -8.125 -0.777 1.730) 8.343 4.746 ( 2.778 -4.321 -2.262) 5.613 4.852 ( 1.911 -7.232 -1.333) 7.598 4.963 ( -7.474 -8.540 1.197) 11.412 5.153 ( 4.735 4.482 -2.121) 6.856 5.368 ( -1.373 -4.813 -5.274) 7.271 5.373 ( 1.390 -0.336 -3.315) 3.610 5.391 ( 0.103 3.433 -2.339) 4.155 5.688 ( -1.066 1.185 0.359) 1.634 5.813 ( -0.367 -3.222 3.058) 4.458 6.143 ( 0.089 1.983 -5.228) 5.592 6.188 ( 2.956 -1.390 0.963) 3.406 6.357 ( -0.549 -1.349 -0.015) 1.456 6.395 ( -1.346 -1.984 -2.195) 3.251 6.457 ( -5.049 -2.792 1.555) 5.976 6.514 ( 0.631 -5.076 -0.351) 5.127 6.843 ( 1.201 5.729 -0.267) 5.859 7.015 ( 2.780 -1.937 -1.605) 3.750 7.221 ( 0.569 2.785 1.317) 3.132 7.305 ( -1.024 -0.048 0.095) 1.029 10.854 ( 1.139 1.837 -1.109) 2.429 10.910 ( 0.822 -1.281 0.735) 1.690 11.242 ( -0.295 2.101 0.883) 2.298 11.322 ( -0.167 -0.761 -0.543) 0.950 11.432 ( -1.637 4.012 -6.119) 7.498 11.526 ( 1.425 2.384 -1.828) 3.325 11.665 ( 4.037 -2.371 1.692) 4.979 11.822 ( -5.171 -9.026 -5.292) 11.671 12.955 ( -0.581 14.131 8.381) 16.440 13.411 ( 0.657 -9.045 -0.070) 9.069 13.831 ( 0.500 0.422 -0.002) 0.654 13.837 ( -0.432 0.093 0.215) 0.492 ======================= Grid point 130 (62/160) ======================= q-point: ( 0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 4.611 0.781 -0.959) 4.774 1.115 ( 1.146 -3.110 -3.629) 4.914 1.314 ( 7.083 7.944 5.191) 11.842 1.380 ( 3.108 3.092 1.059) 4.510 1.463 ( 6.571 3.118 -6.609) 9.828 1.656 ( 0.507 -7.044 -9.823) 12.098 1.945 ( 3.995 3.387 -4.223) 6.728 1.975 ( -13.188 0.664 6.124) 14.556 2.090 ( -6.493 -2.223 -2.142) 7.190 2.214 ( -5.507 -2.668 0.768) 6.167 2.468 ( -1.277 8.417 4.597) 9.676 2.530 ( 6.842 -0.701 4.474) 8.205 2.612 ( 4.162 -2.721 4.991) 7.045 2.827 ( -3.744 -8.009 6.799) 11.152 2.900 ( -1.380 14.817 1.914) 15.004 3.047 ( -3.536 2.850 -1.450) 4.767 3.141 ( -3.139 -5.554 -3.957) 7.507 3.326 ( -4.806 -5.956 2.264) 7.981 3.381 ( -1.403 2.716 -0.446) 3.089 3.616 ( -8.186 -3.779 -2.883) 9.466 3.869 ( -2.490 3.030 3.902) 5.533 3.874 ( -1.243 4.963 1.076) 5.229 3.974 ( 2.201 11.020 0.523) 11.250 4.162 ( -1.606 3.894 4.428) 6.111 4.276 ( -10.442 -0.249 2.619) 10.768 4.329 ( -1.521 -2.977 6.446) 7.261 4.440 ( -4.263 0.372 5.963) 7.340 4.587 ( -0.586 -2.114 3.155) 3.843 4.639 ( -3.242 -0.617 1.628) 3.680 4.743 ( 4.405 0.445 -4.557) 6.354 4.877 ( 2.915 -6.245 -0.715) 6.929 4.981 ( 7.097 -6.440 -0.069) 9.584 5.171 ( 0.223 -0.778 -5.978) 6.032 5.294 ( -0.098 -3.160 -2.952) 4.325 5.369 ( 4.789 3.401 -5.176) 7.829 5.393 ( 4.105 1.740 -2.509) 5.116 5.714 ( 1.540 2.258 3.044) 4.091 5.849 ( 0.781 -3.854 3.736) 5.424 6.075 ( -1.259 3.424 -6.405) 7.371 6.243 ( 2.032 -2.471 0.598) 3.255 6.287 ( -3.873 -2.403 -3.724) 5.886 6.341 ( -1.866 -2.050 0.388) 2.799 6.425 ( -1.984 0.554 1.404) 2.492 6.499 ( -1.645 -2.443 -0.997) 3.109 6.884 ( 3.401 4.417 0.729) 5.622 7.052 ( 3.670 -3.582 -1.374) 5.309 7.279 ( 3.940 2.743 0.811) 4.869 7.339 ( 5.460 0.416 -0.925) 5.553 10.872 ( 2.205 1.956 -0.663) 3.021 10.931 ( 1.264 -1.385 -0.773) 2.028 11.239 ( -1.349 2.951 0.907) 3.369 11.302 ( -1.230 1.216 -0.390) 1.773 11.364 ( 0.670 2.760 -3.683) 4.651 11.548 ( 3.492 -0.448 -5.266) 6.334 11.684 ( -2.633 -2.782 -3.428) 5.141 11.807 ( 10.319 -5.666 1.409) 11.856 12.971 ( -9.514 11.313 9.363) 17.498 13.351 ( -7.125 -8.387 -0.818) 11.036 13.837 ( 0.120 0.264 0.130) 0.318 13.842 ( 0.625 0.091 0.143) 0.647 ======================= Grid point 131 (63/160) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 1.038 -0.335 -1.945) 2.230 1.141 ( 2.204 -3.614 0.378) 4.250 1.384 ( 3.975 1.756 -5.470) 6.986 1.445 ( 3.758 -1.404 -6.189) 7.375 1.513 ( 9.080 7.626 3.385) 12.331 1.646 ( 1.800 -4.671 3.699) 6.224 1.853 ( -2.111 2.704 -0.387) 3.452 1.919 ( -7.017 1.684 -3.176) 7.884 2.048 ( 3.733 3.489 4.667) 6.920 2.137 ( -3.256 2.568 -1.849) 4.541 2.510 ( -3.257 2.120 3.948) 5.540 2.588 ( -1.883 0.741 3.350) 3.914 2.687 ( -0.045 -3.595 -2.413) 4.330 2.795 ( -2.507 0.358 -0.933) 2.698 2.919 ( 1.207 -0.892 -4.267) 4.524 2.946 ( -5.104 -2.647 -6.215) 8.467 3.032 ( -6.170 -2.957 6.009) 9.106 3.329 ( -4.133 -1.380 3.448) 5.557 3.368 ( -1.819 1.512 6.896) 7.291 3.443 ( -9.654 0.037 0.765) 9.685 3.755 ( -9.638 2.392 2.345) 10.204 3.886 ( -1.791 -0.024 -1.157) 2.132 3.997 ( -2.843 5.686 1.156) 6.461 4.099 ( -5.497 1.478 -2.292) 6.136 4.166 ( -6.051 -0.695 3.247) 6.902 4.301 ( -9.284 -7.583 4.435) 12.781 4.436 ( -3.195 2.833 3.274) 5.381 4.535 ( -5.199 -2.668 5.157) 7.794 4.756 ( 5.414 2.249 4.266) 7.250 4.765 ( 4.159 1.819 -3.248) 5.581 4.909 ( 1.977 -9.077 -2.195) 9.545 5.050 ( 1.767 -7.739 -0.591) 7.960 5.129 ( 5.635 6.781 -4.832) 10.054 5.273 ( -0.669 -0.665 -1.371) 1.664 5.430 ( 8.029 3.128 -3.484) 9.294 5.461 ( 7.498 1.033 -2.573) 7.994 5.784 ( 1.579 2.651 4.684) 5.609 5.927 ( 3.446 -3.673 4.024) 6.446 5.961 ( -3.773 2.702 -5.462) 7.167 6.182 ( -1.185 -5.211 -8.176) 9.768 6.280 ( -1.197 0.414 3.520) 3.741 6.334 ( -1.167 -1.402 1.766) 2.539 6.424 ( 1.233 2.388 0.424) 2.721 6.459 ( -1.404 0.518 -1.045) 1.825 6.955 ( 4.357 2.418 0.805) 5.048 7.106 ( 4.042 -4.138 0.115) 5.786 7.337 ( 4.185 4.144 -1.919) 6.194 7.429 ( 6.310 0.277 -1.162) 6.422 10.904 ( 2.596 1.569 -0.537) 3.080 10.927 ( 0.906 0.150 -2.773) 2.922 11.216 ( -1.616 2.552 -0.446) 3.053 11.295 ( 0.249 1.599 0.078) 1.621 11.364 ( 1.891 1.613 -2.092) 3.248 11.490 ( 1.659 -3.460 -5.298) 6.542 11.717 ( 4.636 6.023 1.482) 7.744 11.995 ( 10.793 -6.412 0.904) 12.586 12.868 ( -14.881 6.312 8.037) 18.052 13.187 ( -11.367 -9.663 -1.740) 15.020 13.838 ( -0.089 0.306 0.064) 0.325 13.851 ( 0.132 -0.278 0.261) 0.404 ======================= Grid point 132 (64/160) ======================= q-point: ( 0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -3.976 4.697 -4.551) 7.654 1.195 ( 3.720 -6.673 0.893) 7.691 1.369 ( -0.284 4.761 -0.194) 4.773 1.541 ( 5.967 -1.318 5.261) 8.064 1.667 ( -1.249 2.332 1.618) 3.101 1.723 ( 11.128 1.132 0.511) 11.197 1.871 ( 3.504 3.103 1.146) 4.819 1.886 ( 6.371 -0.649 -1.076) 6.494 2.034 ( -2.503 6.959 -6.865) 10.091 2.173 ( 3.511 -0.084 1.776) 3.936 2.423 ( -6.706 4.531 -0.446) 8.106 2.450 ( -12.724 0.268 -1.777) 12.851 2.653 ( -6.348 -1.975 -2.525) 7.112 2.743 ( -4.415 -1.278 -4.473) 6.414 2.812 ( 1.521 -2.991 3.781) 5.056 2.904 ( -2.823 -4.609 0.147) 5.407 3.048 ( 1.974 -2.529 0.345) 3.227 3.228 ( -7.390 -1.936 -0.080) 7.640 3.355 ( -5.922 -6.653 7.654) 11.744 3.422 ( -4.195 -4.024 1.817) 6.091 3.608 ( -9.460 2.885 -0.579) 9.908 3.809 ( -5.233 -8.372 -1.252) 9.952 3.910 ( -5.759 4.231 -0.414) 7.158 4.038 ( -2.164 -1.085 -2.142) 3.232 4.126 ( -1.220 -1.564 -1.292) 2.368 4.187 ( -9.092 -4.681 6.150) 11.934 4.406 ( -0.642 3.627 -3.569) 5.129 4.514 ( -4.446 -4.047 2.584) 6.545 4.752 ( -1.824 2.980 0.164) 3.498 4.833 ( 3.344 2.208 -2.338) 4.639 4.977 ( 5.556 0.600 4.250) 7.021 5.121 ( 3.783 0.337 3.808) 5.378 5.172 ( 3.414 4.162 -2.135) 5.791 5.235 ( 0.163 -1.385 -4.469) 4.681 5.514 ( 6.541 3.068 -2.154) 7.539 5.559 ( 6.762 0.716 -1.766) 7.025 5.843 ( -1.680 2.694 2.406) 3.984 5.869 ( -0.479 2.472 -1.049) 2.728 6.033 ( 1.667 -4.650 3.746) 6.199 6.080 ( 0.622 -5.397 -4.994) 7.379 6.286 ( -2.535 1.336 2.910) 4.083 6.317 ( -2.232 -0.194 0.527) 2.302 6.441 ( 0.723 2.863 0.307) 2.969 6.473 ( 2.834 1.854 -0.323) 3.402 7.041 ( 4.996 0.184 1.486) 5.216 7.166 ( 3.134 -5.584 -1.072) 6.492 7.382 ( 4.128 6.517 -1.069) 7.788 7.498 ( 3.968 1.047 -1.060) 4.239 10.913 ( 1.275 1.501 -2.481) 3.167 10.939 ( 2.330 0.787 -0.494) 2.509 11.195 ( -1.357 0.708 1.211) 1.951 11.263 ( -1.139 -1.518 -2.768) 3.356 11.408 ( 5.273 5.661 0.277) 7.741 11.539 ( 6.508 0.360 -0.270) 6.523 11.797 ( 3.122 9.508 0.623) 10.027 12.134 ( 4.850 -0.773 0.363) 4.925 12.703 ( -13.352 -4.074 4.696) 14.729 12.975 ( -12.039 -13.140 -2.140) 17.949 13.836 ( -0.174 0.134 -0.016) 0.220 13.851 ( -0.398 -0.584 0.176) 0.728 ======================= Grid point 133 (65/160) ======================= q-point: ( 0.40 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.942 9.406 4.026) 10.414 1.254 ( -2.671 -6.861 6.707) 9.960 1.382 ( 3.833 6.023 -3.827) 8.100 1.584 ( -3.953 -1.434 2.574) 4.930 1.753 ( 7.924 6.754 -2.237) 10.649 1.825 ( 2.515 2.906 -5.103) 6.388 1.924 ( 7.456 2.287 -9.015) 11.920 2.005 ( 5.384 3.772 2.888) 7.180 2.029 ( 6.546 -1.272 4.017) 7.785 2.105 ( -5.068 1.175 -4.586) 6.935 2.271 ( -4.008 -1.439 -2.541) 4.959 2.406 ( 1.914 -0.208 3.154) 3.695 2.533 ( -8.476 0.805 4.085) 9.444 2.622 ( -7.604 1.677 -0.710) 7.819 2.821 ( -2.769 -9.318 3.950) 10.492 2.918 ( -4.202 -6.069 1.145) 7.470 3.038 ( 1.014 -0.750 -1.356) 1.852 3.184 ( 0.386 -5.493 1.105) 5.616 3.278 ( -10.428 -4.289 1.154) 11.334 3.366 ( -2.188 -8.672 1.821) 9.127 3.501 ( -3.030 0.157 0.375) 3.057 3.722 ( -2.949 -13.711 -2.733) 14.288 3.828 ( -2.138 2.975 -2.977) 4.720 3.966 ( -3.130 -2.821 -1.836) 4.596 4.052 ( -3.621 0.053 -4.100) 5.470 4.174 ( -0.428 -3.738 0.157) 3.766 4.348 ( 0.908 2.740 -6.308) 6.937 4.445 ( -3.176 -4.440 -2.939) 6.200 4.734 ( -0.283 6.284 -0.002) 6.290 4.872 ( 0.664 4.243 3.165) 5.335 5.092 ( 2.731 2.960 3.239) 5.168 5.138 ( -3.875 3.148 -2.254) 5.478 5.196 ( 4.307 6.314 -4.876) 9.066 5.246 ( 3.817 -1.591 1.330) 4.343 5.584 ( 4.405 3.464 -0.494) 5.626 5.648 ( 5.938 0.766 0.964) 6.065 5.818 ( -1.977 -1.619 0.554) 2.615 5.838 ( -4.214 -0.366 -0.341) 4.244 6.054 ( 3.069 -1.524 1.238) 3.643 6.145 ( 0.607 -3.889 6.254) 7.390 6.270 ( -1.952 2.103 1.361) 3.176 6.291 ( -1.854 0.933 1.305) 2.452 6.474 ( 1.214 2.851 0.979) 3.250 6.496 ( 1.379 2.932 -0.205) 3.246 7.134 ( 4.384 -3.408 0.794) 5.609 7.162 ( 0.194 -4.319 -3.943) 5.851 7.447 ( 3.405 6.770 1.220) 7.676 7.538 ( 1.645 2.244 0.897) 2.923 10.918 ( 1.624 1.987 -0.709) 2.662 10.967 ( 1.632 0.157 -0.074) 1.641 11.200 ( -1.480 0.240 3.693) 3.985 11.244 ( 0.284 -1.401 1.087) 1.796 11.506 ( 6.245 7.862 -0.475) 10.052 11.648 ( 6.476 1.918 -0.770) 6.797 11.822 ( 1.642 13.297 -1.314) 13.463 12.126 ( -7.153 10.463 1.397) 12.751 12.594 ( -2.793 -18.475 -0.069) 18.685 12.782 ( -8.994 -17.910 -2.172) 20.159 13.832 ( -0.066 -0.184 -0.269) 0.332 13.844 ( -0.512 -0.760 -0.104) 0.923 ======================= Grid point 134 (66/160) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.539 8.866 8.145) 12.138 1.244 ( -5.707 -3.666 3.882) 7.816 1.381 ( 3.580 1.860 -7.538) 8.550 1.477 ( -5.486 -1.272 -7.348) 9.257 1.776 ( 5.200 3.016 -5.350) 8.047 1.812 ( -4.369 11.769 2.918) 12.888 1.885 ( -3.166 -0.142 -8.064) 8.665 1.973 ( 4.518 1.733 -3.749) 6.121 2.178 ( 5.212 8.984 8.057) 13.146 2.256 ( 7.947 -1.629 7.868) 11.301 2.360 ( 10.717 -5.503 2.147) 12.237 2.378 ( -4.774 -7.332 -1.248) 8.838 2.496 ( -4.700 -0.799 4.841) 6.794 2.555 ( -1.146 2.014 4.284) 4.871 2.736 ( -5.177 -2.847 -3.057) 6.652 2.889 ( 0.184 -7.985 2.694) 8.429 3.084 ( 2.369 -1.139 -0.400) 2.659 3.147 ( -5.655 -3.182 0.580) 6.515 3.209 ( 0.209 -4.061 0.340) 4.081 3.363 ( -0.428 -8.323 1.329) 8.440 3.479 ( -1.705 -4.210 0.933) 4.637 3.650 ( 1.240 -4.052 -8.459) 9.461 3.805 ( 1.045 -7.361 0.412) 7.446 3.906 ( 1.980 -4.556 -11.359) 12.397 3.943 ( -1.915 1.454 -1.656) 2.920 4.135 ( -2.842 -6.405 -1.565) 7.180 4.315 ( 3.778 3.910 -7.554) 9.308 4.368 ( 0.125 -1.904 -6.173) 6.461 4.749 ( 0.820 5.463 2.056) 5.895 4.919 ( 0.541 4.490 3.897) 5.970 5.038 ( -3.627 0.370 -4.148) 5.523 5.138 ( 0.351 3.462 1.124) 3.657 5.172 ( -0.490 3.532 -3.886) 5.274 5.304 ( 3.152 2.001 -1.968) 4.221 5.663 ( 2.459 3.382 3.714) 5.592 5.735 ( -0.545 1.301 1.431) 2.009 5.753 ( -1.158 -0.132 -0.208) 1.184 5.819 ( 0.395 -3.697 0.085) 3.719 6.117 ( -1.084 1.039 5.565) 5.764 6.209 ( -0.974 -1.584 6.336) 6.603 6.265 ( -0.803 2.363 2.197) 3.325 6.298 ( -0.054 1.032 2.858) 3.039 6.466 ( -0.677 3.970 -0.983) 4.145 6.534 ( 0.440 1.106 1.797) 2.156 7.098 ( -1.679 -1.920 -4.234) 4.943 7.178 ( 1.520 -5.546 -2.288) 6.189 7.499 ( 0.156 6.325 3.067) 7.031 7.576 ( 0.635 2.217 2.404) 3.332 10.946 ( 1.400 1.927 1.180) 2.658 10.987 ( 0.435 0.299 0.514) 0.737 11.222 ( -1.981 1.185 5.050) 5.552 11.294 ( 1.416 -1.832 5.062) 5.566 11.558 ( 0.374 8.377 -1.572) 8.532 11.669 ( -0.613 3.441 -1.676) 3.876 11.877 ( 2.981 14.666 -1.803) 15.074 12.005 ( -2.621 11.289 -0.117) 11.590 12.564 ( -4.677 -19.249 -1.510) 19.866 12.683 ( 3.670 -22.402 -3.264) 22.934 13.829 ( 0.153 -0.427 -0.461) 0.647 13.834 ( -0.206 -0.776 -0.469) 0.930 ======================= Grid point 135 (67/160) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -2.106 5.098 3.835) 6.718 1.160 ( -3.797 -1.212 -3.208) 5.116 1.328 ( 0.002 -0.333 -9.637) 9.642 1.386 ( 6.382 -4.055 -4.617) 8.860 1.715 ( -6.094 7.019 -5.191) 10.646 1.775 ( -3.275 1.633 5.719) 6.790 1.896 ( 2.938 3.012 6.264) 7.546 1.987 ( -0.873 3.794 0.914) 3.999 2.218 ( -7.611 1.576 -0.318) 7.779 2.329 ( 2.082 3.390 4.985) 6.378 2.367 ( -6.056 -1.774 3.892) 7.414 2.477 ( 4.425 -6.755 0.601) 8.098 2.633 ( 14.142 2.687 5.461) 15.396 2.684 ( 5.942 2.184 1.161) 6.436 2.730 ( 6.112 -1.391 2.885) 6.901 2.882 ( -2.095 -3.938 -1.264) 4.636 3.051 ( 0.154 0.845 -5.288) 5.357 3.118 ( -0.731 -2.651 -0.249) 2.762 3.196 ( -2.565 -4.500 1.160) 5.308 3.314 ( -3.491 -8.744 -7.805) 12.230 3.511 ( 4.460 -1.858 3.379) 5.896 3.648 ( 10.321 -2.325 -5.176) 11.778 3.791 ( 3.855 -3.332 -10.289) 11.481 3.833 ( 1.137 -5.881 -1.262) 6.122 3.992 ( 5.211 -1.822 -0.616) 5.555 4.082 ( -1.153 -7.275 -1.902) 7.607 4.283 ( 3.606 -2.132 -7.230) 8.356 4.333 ( 3.270 -0.579 -5.845) 6.723 4.794 ( 0.465 3.319 3.151) 4.600 4.917 ( -3.614 4.200 -4.165) 6.932 4.999 ( 1.496 -1.272 4.672) 5.068 5.113 ( -2.299 6.230 -1.140) 6.738 5.151 ( 1.173 0.010 -1.221) 1.693 5.311 ( 1.720 0.712 -3.220) 3.720 5.675 ( -4.489 1.332 2.166) 5.159 5.703 ( -4.031 0.457 2.658) 4.850 5.766 ( 0.287 1.940 -0.117) 1.965 5.840 ( 1.584 -2.555 -0.678) 3.082 6.140 ( -3.020 4.158 5.213) 7.320 6.226 ( -2.499 1.782 3.018) 4.304 6.312 ( 0.142 0.851 4.731) 4.809 6.342 ( -0.066 -0.862 5.804) 5.868 6.452 ( -0.211 3.339 -0.230) 3.354 6.520 ( -2.990 0.696 -0.736) 3.157 7.031 ( -2.336 -0.332 -2.383) 3.353 7.147 ( -0.529 -4.294 -3.486) 5.556 7.514 ( -3.074 4.592 3.402) 6.489 7.596 ( -1.468 1.240 1.925) 2.720 10.980 ( 0.412 1.131 1.980) 2.317 10.986 ( -1.223 1.217 0.297) 1.751 11.239 ( -2.172 3.129 3.746) 5.342 11.368 ( -0.581 -1.840 4.618) 5.005 11.509 ( -3.778 5.157 1.621) 6.595 11.645 ( -2.340 0.095 2.035) 3.103 11.782 ( -4.303 13.428 -3.714) 14.581 12.136 ( 12.482 13.393 -0.758) 18.323 12.415 ( -6.857 -17.740 -5.768) 19.875 12.794 ( 11.541 -20.086 -1.822) 23.237 13.825 ( 0.115 -0.381 -0.506) 0.644 13.832 ( 0.610 -0.719 -0.500) 1.067 ======================= Grid point 136 (68/160) ======================= q-point: (-0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -1.469 1.802 -1.324) 2.676 1.117 ( 0.973 -3.889 -1.058) 4.146 1.263 ( 2.833 4.851 -6.628) 8.689 1.461 ( 5.941 -5.786 -4.631) 9.499 1.550 ( -5.698 9.212 -3.446) 11.367 1.805 ( -2.987 -2.299 5.893) 6.996 1.966 ( -5.334 5.018 5.166) 8.962 2.067 ( 3.640 7.380 10.294) 13.179 2.130 ( -3.296 -2.534 4.211) 5.918 2.230 ( -8.180 0.028 2.598) 8.583 2.480 ( 3.718 -1.444 -1.485) 4.256 2.518 ( 4.080 -3.625 -5.493) 7.743 2.611 ( -4.470 3.876 -0.166) 5.919 2.683 ( -6.491 1.030 -9.049) 11.184 2.943 ( 6.868 3.171 5.198) 9.178 2.992 ( 10.621 -2.345 6.257) 12.548 3.084 ( 10.998 2.816 -3.024) 11.749 3.096 ( 3.994 6.715 -4.127) 8.836 3.163 ( -3.813 -8.543 0.025) 9.355 3.218 ( 3.289 -4.349 -0.732) 5.502 3.625 ( 4.814 -3.170 0.650) 5.801 3.805 ( 6.679 1.869 -4.326) 8.174 3.824 ( 14.575 -7.705 -3.307) 16.814 3.861 ( 3.012 -4.527 -0.100) 5.439 4.007 ( 2.280 3.642 -2.947) 5.211 4.032 ( 1.046 -5.492 -10.792) 12.154 4.339 ( 8.503 -10.167 0.454) 13.262 4.343 ( 3.461 -5.271 -1.481) 6.477 4.774 ( -6.563 5.934 -1.205) 8.930 4.834 ( -1.383 1.962 -0.265) 2.415 5.077 ( -2.532 2.606 2.631) 4.486 5.102 ( 3.766 -2.497 3.655) 5.812 5.163 ( 2.895 2.616 -2.121) 4.441 5.301 ( 1.096 -0.037 -2.300) 2.548 5.617 ( -6.008 1.998 1.388) 6.482 5.623 ( -7.928 0.900 1.000) 8.042 5.759 ( -1.954 1.232 1.284) 2.643 5.838 ( -0.916 -3.391 -0.282) 3.524 6.131 ( -1.310 5.687 -0.157) 5.838 6.242 ( -0.529 1.575 4.571) 4.864 6.326 ( -2.968 -0.881 2.559) 4.017 6.404 ( -1.495 -2.093 5.159) 5.765 6.448 ( -3.071 2.734 -1.035) 4.240 6.457 ( 1.172 1.098 -0.060) 1.607 6.962 ( -3.263 2.363 -2.157) 4.570 7.113 ( -0.610 -3.929 -1.088) 4.122 7.467 ( -5.843 3.330 0.930) 6.789 7.566 ( -4.657 -0.194 1.358) 4.855 10.951 ( -2.455 1.978 -0.919) 3.284 10.992 ( -1.354 -0.339 0.939) 1.682 11.235 ( -1.491 3.600 1.277) 4.100 11.342 ( -4.484 0.029 0.538) 4.516 11.494 ( -2.668 3.973 4.273) 6.416 11.682 ( 0.425 0.888 1.448) 1.751 11.707 ( -1.014 4.517 1.734) 4.944 12.166 ( -11.537 -9.002 0.552) 14.644 12.397 ( 16.413 9.893 -6.721) 20.308 12.977 ( 13.344 -16.660 -1.546) 21.401 13.825 ( 0.396 0.015 -0.444) 0.595 13.840 ( 0.697 -0.738 -0.141) 1.024 ======================= Grid point 137 (69/160) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 3.403 3.704 0.505) 5.055 1.105 ( 0.066 -1.677 -3.540) 3.918 1.296 ( 2.281 4.348 1.289) 5.077 1.357 ( -7.478 5.922 0.659) 9.561 1.584 ( 7.229 2.118 -2.471) 7.928 1.724 ( -8.233 0.348 -6.880) 10.734 1.920 ( -0.936 -2.533 2.635) 3.773 2.076 ( -1.102 -1.905 -3.344) 4.003 2.204 ( -2.168 2.737 4.766) 5.908 2.264 ( -1.520 4.749 -3.961) 6.368 2.339 ( -2.081 -2.520 5.928) 6.769 2.462 ( -5.648 0.865 -7.109) 9.121 2.574 ( -3.119 2.040 7.102) 8.021 2.697 ( 5.249 -3.183 8.124) 10.183 3.024 ( -3.901 8.480 1.224) 9.414 3.068 ( 4.265 -0.665 1.364) 4.527 3.139 ( 5.038 3.682 -0.261) 6.245 3.224 ( 8.113 -0.180 -3.563) 8.862 3.308 ( 15.368 -0.553 0.751) 15.396 3.385 ( 10.320 -2.660 5.866) 12.166 3.679 ( 3.660 -0.279 -2.439) 4.407 3.762 ( -2.041 -3.500 -8.564) 9.475 3.877 ( -0.846 -3.741 -10.772) 11.435 3.913 ( 7.114 -6.980 -3.981) 10.732 4.030 ( 11.646 1.907 -0.215) 11.803 4.115 ( 7.844 3.279 2.939) 8.996 4.406 ( 3.898 -6.103 1.628) 7.422 4.512 ( 9.671 -12.818 2.742) 16.289 4.636 ( -8.414 9.260 -0.496) 12.521 4.816 ( -1.156 1.547 0.278) 1.951 5.042 ( -5.026 1.841 2.287) 5.821 5.167 ( -1.867 -2.541 0.361) 3.174 5.184 ( 1.062 3.315 -1.678) 3.864 5.316 ( 3.854 -1.367 -0.253) 4.097 5.494 ( -7.014 -0.466 -0.235) 7.034 5.517 ( -7.233 2.739 0.128) 7.735 5.744 ( -2.285 -0.179 2.645) 3.500 5.810 ( -2.462 -3.627 0.092) 4.385 6.113 ( 1.122 5.318 -2.349) 5.921 6.264 ( -0.718 -1.373 -1.300) 2.023 6.323 ( -1.556 0.824 6.013) 6.265 6.387 ( -0.792 -0.081 -0.966) 1.252 6.425 ( -1.365 -0.569 1.524) 2.124 6.496 ( 2.186 -2.485 1.303) 3.557 6.896 ( -2.633 5.263 -1.018) 5.972 7.085 ( -1.968 -3.903 -1.116) 4.512 7.358 ( -7.299 3.065 -0.931) 7.971 7.480 ( -7.214 -1.293 0.551) 7.350 10.900 ( -1.880 1.944 -1.715) 3.202 10.956 ( -2.873 -1.234 -0.855) 3.242 11.228 ( -0.520 2.839 0.588) 2.945 11.298 ( -1.120 -0.042 0.521) 1.237 11.506 ( -1.450 5.036 2.830) 5.956 11.626 ( -2.414 7.049 -2.219) 7.774 11.757 ( -0.494 -6.681 -1.032) 6.779 11.996 ( -10.319 -11.013 4.120) 15.644 12.610 ( 14.576 15.803 -1.015) 21.523 13.170 ( 12.535 -13.308 -1.069) 18.313 13.826 ( 0.252 0.426 -0.267) 0.563 13.847 ( 0.176 -0.680 0.125) 0.713 ======================= Grid point 138 (70/160) ======================= q-point: (-0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.141 4.520 -0.099) 4.524 1.086 ( 4.592 2.596 -2.994) 6.065 1.208 ( -5.569 9.490 2.983) 11.401 1.388 ( 0.903 1.908 1.435) 2.553 1.452 ( -5.047 4.199 -15.263) 16.615 1.717 ( 6.514 -3.843 0.309) 7.570 1.990 ( 3.026 -1.860 3.511) 4.994 2.044 ( -0.094 -5.364 1.933) 5.702 2.108 ( -1.165 3.223 -6.266) 7.142 2.204 ( -0.522 0.464 -0.289) 0.756 2.350 ( -3.933 3.651 1.158) 5.491 2.441 ( -7.120 -3.437 10.732) 13.330 2.580 ( -2.280 1.730 5.239) 5.970 2.869 ( 2.156 -7.195 5.978) 9.600 2.971 ( -3.374 12.717 0.481) 13.166 3.110 ( 1.810 -1.533 -0.250) 2.384 3.256 ( 3.225 5.273 -8.148) 10.227 3.303 ( 6.230 4.718 4.483) 9.009 3.406 ( 2.568 2.473 0.598) 3.615 3.573 ( 2.533 -7.942 -5.811) 10.162 3.693 ( 6.491 -7.047 2.910) 10.014 3.716 ( 6.749 7.185 -2.100) 10.078 3.857 ( 4.267 -6.351 1.447) 7.787 3.999 ( 10.356 -4.404 -5.798) 12.660 4.216 ( 4.555 8.058 2.232) 9.521 4.231 ( 5.483 3.862 5.520) 8.686 4.461 ( -1.110 2.428 1.693) 3.161 4.533 ( -1.715 4.648 0.046) 4.954 4.671 ( 6.430 -12.498 1.316) 14.117 4.803 ( -2.250 -1.767 1.509) 3.234 4.935 ( -10.537 2.984 -1.295) 11.028 5.076 ( -7.449 -3.620 2.569) 8.671 5.147 ( -0.482 4.807 -4.292) 6.462 5.376 ( 2.875 -1.636 -1.724) 3.730 5.421 ( -2.069 0.207 -1.246) 2.424 5.429 ( -2.484 -0.807 -1.321) 2.927 5.729 ( -3.689 -1.519 1.306) 4.198 5.787 ( -0.268 -2.321 1.673) 2.874 6.126 ( 3.530 2.621 -1.784) 4.745 6.215 ( -1.857 -1.108 -3.171) 3.839 6.354 ( -0.466 1.003 1.725) 2.049 6.390 ( 1.511 -1.037 -0.015) 1.833 6.449 ( 1.329 -3.195 2.753) 4.422 6.531 ( 0.007 -5.548 0.292) 5.556 6.854 ( -1.503 6.044 -0.774) 6.276 7.027 ( -1.932 -1.559 -2.278) 3.369 7.249 ( -4.750 2.791 -0.151) 5.511 7.368 ( -6.609 -1.184 0.237) 6.718 10.863 ( -0.351 1.711 -1.690) 2.430 10.910 ( -1.466 -0.963 -0.247) 1.771 11.233 ( 0.357 2.343 0.455) 2.414 11.310 ( 1.391 -0.827 0.268) 1.641 11.496 ( -0.652 3.756 -1.678) 4.165 11.569 ( -2.306 4.621 -2.294) 5.651 11.667 ( -3.958 -3.278 -2.659) 5.786 11.926 ( -5.285 -11.015 1.577) 12.318 12.817 ( 8.460 15.910 4.701) 18.622 13.335 ( 8.517 -10.678 -0.190) 13.660 13.827 ( 0.090 0.615 -0.075) 0.626 13.845 ( -0.632 -0.385 0.161) 0.757 ======================= Grid point 139 (71/160) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.090 ( 0.395 -3.453 -4.969) 6.064 1.090 ( 0.395 3.453 -4.969) 6.064 1.313 ( -0.447 -2.338 2.992) 3.823 1.313 ( -0.447 2.338 2.992) 3.823 1.582 ( 5.705 -9.632 -10.079) 15.063 1.582 ( 5.705 9.632 -10.079) 15.063 1.993 ( -1.473 -2.505 2.777) 4.019 1.993 ( -1.473 2.505 2.777) 4.019 2.226 ( -5.298 -5.815 0.349) 7.874 2.226 ( -5.298 5.815 0.349) 7.874 2.339 ( 5.537 -5.446 6.409) 10.069 2.339 ( 5.537 5.446 6.409) 10.069 2.697 ( -4.621 -9.190 3.114) 10.747 2.697 ( -4.621 9.190 3.114) 10.747 3.152 ( -2.449 -1.677 0.777) 3.068 3.152 ( -2.449 1.677 0.777) 3.068 3.266 ( -3.149 -7.634 -3.434) 8.943 3.266 ( -3.149 7.634 -3.434) 8.943 3.494 ( 0.669 -12.634 -2.223) 12.846 3.494 ( 0.669 12.634 -2.223) 12.846 3.823 ( 6.673 -6.508 9.470) 13.288 3.823 ( 6.673 6.508 9.470) 13.288 4.043 ( 7.471 -3.595 0.437) 8.302 4.043 ( 7.471 3.595 0.437) 8.302 4.395 ( -3.388 -8.010 1.077) 8.763 4.395 ( -3.388 8.010 1.077) 8.763 4.529 ( -0.646 -6.627 4.123) 7.831 4.529 ( -0.646 6.627 4.123) 7.831 4.668 ( -1.315 -5.679 0.951) 5.907 4.668 ( -1.315 5.679 0.951) 5.907 4.822 ( -3.697 -3.943 -2.369) 5.902 4.822 ( -3.697 3.943 -2.369) 5.902 5.234 ( 1.394 -4.774 -4.371) 6.621 5.234 ( 1.394 4.774 -4.371) 6.621 5.422 ( 0.499 -0.634 -2.777) 2.892 5.422 ( 0.499 0.634 -2.777) 2.892 5.743 ( -0.366 -3.859 1.814) 4.280 5.743 ( -0.366 3.859 1.814) 4.280 6.178 ( 1.879 -0.927 -2.195) 3.035 6.178 ( 1.879 0.927 -2.195) 3.035 6.356 ( -3.921 -1.889 -1.128) 4.496 6.356 ( -3.921 1.889 -1.128) 4.496 6.443 ( 0.632 -2.009 1.238) 2.443 6.443 ( 0.632 2.009 1.238) 2.443 6.947 ( 1.752 -4.874 -1.903) 5.518 6.947 ( 1.752 4.874 -1.903) 5.518 7.277 ( -0.445 -2.647 1.417) 3.036 7.277 ( -0.445 2.647 1.417) 3.036 10.886 ( 0.732 -1.448 -0.001) 1.623 10.886 ( 0.732 1.448 -0.001) 1.623 11.285 ( 0.006 -2.312 0.170) 2.318 11.285 ( 0.006 2.312 0.170) 2.318 11.529 ( 1.349 -3.513 -4.897) 6.176 11.529 ( 1.349 3.513 -4.897) 6.176 11.672 ( -2.031 -4.887 -0.593) 5.325 11.672 ( -2.031 4.887 -0.593) 5.325 13.208 ( -0.012 -12.214 3.781) 12.786 13.208 ( -0.012 12.214 3.781) 12.786 13.836 ( 0.063 -0.173 0.082) 0.201 13.836 ( 0.063 0.173 0.082) 0.201 ======================= Grid point 141 (72/160) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.054 ( 1.916 -2.694 -2.566) 4.185 1.054 ( 1.916 2.694 -2.566) 4.185 1.397 ( 3.835 -1.114 4.119) 5.737 1.397 ( 3.835 1.114 4.119) 5.737 1.542 ( 4.798 -5.260 -11.522) 13.544 1.542 ( 4.798 5.260 -11.522) 13.544 1.975 ( -4.577 -0.580 0.667) 4.661 1.975 ( -4.577 0.580 0.667) 4.661 2.126 ( -3.426 -5.733 1.231) 6.791 2.126 ( -3.426 5.733 1.231) 6.791 2.536 ( 5.429 -2.716 4.694) 7.674 2.536 ( 5.429 2.716 4.694) 7.674 2.654 ( -2.216 -8.802 3.180) 9.618 2.654 ( -2.216 8.802 3.180) 9.618 3.077 ( -7.321 -0.848 -2.025) 7.643 3.077 ( -7.321 0.848 -2.025) 7.643 3.205 ( -3.027 -7.748 1.898) 8.533 3.205 ( -3.027 7.748 1.898) 8.533 3.475 ( -1.562 -8.570 0.121) 8.712 3.475 ( -1.562 8.570 0.121) 8.712 3.920 ( -0.739 -1.752 -1.960) 2.731 3.920 ( -0.739 1.752 -1.960) 2.731 4.126 ( -5.382 -6.116 9.985) 12.887 4.126 ( -5.382 6.116 9.985) 12.887 4.321 ( -6.769 -5.824 0.207) 8.933 4.321 ( -6.769 5.824 0.207) 8.933 4.466 ( -8.283 -3.391 8.706) 12.486 4.466 ( -8.283 3.391 8.706) 12.486 4.718 ( 7.430 -4.049 -3.096) 9.010 4.718 ( 7.430 4.049 -3.096) 9.010 4.826 ( 3.677 -6.173 -2.941) 7.764 4.826 ( 3.677 6.173 -2.941) 7.764 5.225 ( 3.250 -4.187 -3.873) 6.565 5.225 ( 3.250 4.187 -3.873) 6.565 5.412 ( 3.399 -0.501 -3.432) 4.856 5.412 ( 3.399 0.501 -3.432) 4.856 5.774 ( 0.799 -3.802 3.572) 5.278 5.774 ( 0.799 3.802 3.572) 5.278 6.161 ( 0.525 -5.198 -6.508) 8.345 6.161 ( 0.525 5.198 -6.508) 8.345 6.293 ( -2.676 -2.306 1.838) 3.982 6.293 ( -2.676 2.306 1.838) 3.982 6.456 ( -0.005 -2.242 0.297) 2.262 6.456 ( -0.005 2.242 0.297) 2.262 6.973 ( 3.352 -4.680 -1.160) 5.872 6.973 ( 3.352 4.680 -1.160) 5.872 7.324 ( 4.290 -1.777 0.654) 4.689 7.324 ( 4.290 1.777 0.654) 4.689 10.905 ( 1.646 -1.523 -0.296) 2.262 10.905 ( 1.646 1.523 -0.296) 2.262 11.288 ( -0.436 -2.051 1.367) 2.503 11.288 ( -0.436 2.051 1.367) 2.503 11.463 ( -0.460 -6.499 -7.770) 10.141 11.463 ( -0.460 6.499 -7.770) 10.141 11.710 ( 6.147 -4.177 1.152) 7.521 11.710 ( 6.147 4.177 1.152) 7.521 13.176 ( -9.196 -10.113 3.915) 14.219 13.176 ( -9.196 10.113 3.915) 14.219 13.841 ( 0.299 -0.177 0.132) 0.372 13.841 ( 0.299 0.177 0.132) 0.372 ======================= Grid point 143 (73/160) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.084 ( 2.280 -1.824 -0.826) 3.035 1.084 ( 2.280 1.824 -0.826) 3.035 1.417 ( 3.187 -1.520 -6.890) 7.742 1.417 ( 3.186 1.520 -6.890) 7.742 1.593 ( 5.890 -1.884 3.819) 7.268 1.593 ( 5.890 1.884 3.819) 7.268 1.891 ( -4.160 -2.767 0.117) 4.998 1.891 ( -4.160 2.767 0.117) 4.998 2.144 ( 2.213 -3.667 0.374) 4.299 2.144 ( 2.213 3.667 0.374) 4.299 2.555 ( -4.168 -4.062 2.633) 6.388 2.555 ( -4.168 4.062 2.633) 6.388 2.709 ( 2.899 -5.818 -1.972) 6.793 2.709 ( 2.899 5.818 -1.972) 6.793 2.897 ( -8.873 -4.560 -2.896) 10.388 2.897 ( -8.873 4.560 -2.896) 10.388 3.204 ( -2.336 -12.372 3.384) 13.038 3.204 ( -2.336 12.372 3.384) 13.038 3.413 ( -8.118 -2.611 1.525) 8.663 3.413 ( -8.118 2.611 1.525) 8.663 3.828 ( -7.271 -5.327 -0.653) 9.037 3.828 ( -7.271 5.327 -0.653) 9.037 4.094 ( -6.164 -4.895 5.487) 9.595 4.094 ( -6.164 4.895 5.487) 9.595 4.182 ( -10.776 -5.652 0.324) 12.173 4.182 ( -10.776 5.652 0.324) 12.173 4.483 ( -3.836 -2.066 7.186) 8.404 4.483 ( -3.836 2.066 7.186) 8.404 4.798 ( 5.625 -2.619 -3.350) 7.052 4.798 ( 5.625 2.619 -3.350) 7.052 4.879 ( 7.604 -9.401 -0.489) 12.101 4.879 ( 7.604 9.401 -0.489) 12.101 5.230 ( 1.218 -3.609 -2.126) 4.362 5.230 ( 1.218 3.609 -2.126) 4.362 5.468 ( 7.484 -0.691 -3.104) 8.131 5.468 ( 7.484 0.691 -3.104) 8.131 5.847 ( 1.613 -3.913 6.028) 7.365 5.847 ( 1.613 3.913 6.028) 7.365 6.062 ( -1.117 -6.610 -9.140) 11.335 6.062 ( -1.117 6.610 -9.140) 11.335 6.302 ( -0.853 -1.670 3.019) 3.553 6.302 ( -0.853 1.670 3.019) 3.553 6.458 ( 0.647 -0.930 -0.260) 1.163 6.458 ( 0.647 0.930 -0.260) 1.163 7.022 ( 3.762 -4.290 -0.356) 5.717 7.022 ( 3.762 4.290 -0.356) 5.717 7.405 ( 5.512 -2.655 -0.697) 6.158 7.405 ( 5.512 2.655 -0.697) 6.158 10.925 ( 1.813 -0.551 -1.183) 2.233 10.925 ( 1.813 0.551 -1.183) 2.233 11.275 ( -1.998 -3.019 -1.724) 4.010 11.275 ( -1.998 3.019 -1.724) 4.010 11.419 ( 3.613 -3.771 -2.097) 5.628 11.419 ( 3.613 3.771 -2.097) 5.628 11.850 ( 9.034 -7.874 1.186) 12.043 11.850 ( 9.034 7.874 1.186) 12.043 13.013 ( -15.481 -8.593 2.651) 17.903 13.013 ( -15.481 8.593 2.651) 17.903 13.845 ( -0.117 -0.370 0.179) 0.427 13.845 ( -0.117 0.370 0.179) 0.427 ======================= Grid point 145 (74/160) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.079 ( 0.533 -5.511 -1.621) 5.769 1.079 ( 0.533 5.511 -1.621) 5.769 1.463 ( 3.359 -5.134 3.502) 7.065 1.463 ( 3.359 5.134 3.502) 7.065 1.715 ( 5.256 -2.749 1.090) 6.031 1.715 ( 5.256 2.749 1.090) 6.031 1.887 ( 4.832 -1.356 -0.924) 5.103 1.887 ( 4.832 1.356 -0.924) 5.103 2.157 ( 1.007 -3.693 -4.480) 5.893 2.157 ( 1.007 3.693 -4.480) 5.893 2.457 ( -9.205 -1.101 0.030) 9.271 2.457 ( -9.205 1.101 0.030) 9.271 2.683 ( -3.041 -5.514 -0.270) 6.303 2.683 ( -3.041 5.514 -0.270) 6.303 2.806 ( -2.379 -3.088 0.389) 3.918 2.806 ( -2.379 3.088 0.389) 3.918 3.156 ( -5.230 -8.389 -0.908) 9.928 3.156 ( -5.230 8.389 -0.908) 9.928 3.300 ( -7.724 -3.270 3.436) 9.064 3.300 ( -7.724 3.270 3.436) 9.064 3.681 ( -9.407 -4.666 -1.567) 10.617 3.681 ( -9.407 4.666 -1.567) 10.617 4.010 ( -7.575 -4.199 -0.842) 8.702 4.010 ( -7.575 4.199 -0.842) 8.702 4.105 ( -2.019 -2.050 3.974) 4.906 4.105 ( -2.019 2.050 3.974) 4.906 4.454 ( -3.878 -2.220 -0.567) 4.504 4.454 ( -3.878 2.220 -0.567) 4.504 4.840 ( 2.797 -3.181 -0.211) 4.241 4.840 ( 2.797 3.181 -0.211) 4.241 5.033 ( 8.336 -6.060 2.712) 10.656 5.033 ( 8.336 6.060 2.712) 10.656 5.223 ( 1.387 -0.928 -2.239) 2.793 5.223 ( 1.387 0.928 -2.239) 2.793 5.555 ( 6.512 -1.191 -1.866) 6.878 5.555 ( 6.512 1.191 -1.866) 6.878 5.903 ( -4.580 -2.142 1.418) 5.251 5.903 ( -4.580 2.142 1.418) 5.251 5.987 ( 4.100 -2.508 -1.858) 5.153 5.987 ( 4.100 2.508 -1.858) 5.153 6.308 ( -1.798 -0.870 1.783) 2.677 6.308 ( -1.798 0.870 1.783) 2.677 6.480 ( 2.088 -1.027 0.148) 2.332 6.480 ( 2.088 1.027 0.148) 2.332 7.076 ( 3.303 -3.506 -0.362) 4.831 7.076 ( 3.303 3.506 -0.362) 4.831 7.478 ( 4.631 -3.233 -0.668) 5.687 7.478 ( 4.631 3.233 -0.668) 5.687 10.938 ( 1.754 -0.849 -1.378) 2.387 10.938 ( 1.754 0.849 -1.378) 2.387 11.223 ( -1.431 -2.137 -1.155) 2.819 11.223 ( -1.431 2.137 -1.155) 2.819 11.506 ( 7.022 -3.881 0.693) 8.054 11.506 ( 7.022 3.881 0.693) 8.054 11.999 ( 8.105 -10.993 0.596) 13.670 11.999 ( 8.105 10.993 0.596) 13.670 12.762 ( -18.076 -8.621 0.797) 20.043 12.762 ( -18.076 8.621 0.797) 20.043 13.841 ( -0.456 -0.418 0.078) 0.624 13.841 ( -0.456 0.418 0.078) 0.624 ======================= Grid point 147 (75/160) ======================= q-point: ( 0.40 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.102 ( -0.892 -8.443 5.220) 9.966 1.102 ( -0.892 8.443 5.220) 9.966 1.511 ( -0.683 -6.009 -0.329) 6.056 1.511 ( -0.683 6.009 -0.329) 6.056 1.825 ( 9.744 -1.588 -1.661) 10.011 1.825 ( 9.744 1.588 -1.661) 10.011 1.971 ( 6.182 -2.370 -8.641) 10.886 1.971 ( 6.182 2.370 -8.641) 10.886 2.100 ( 1.294 -3.203 1.784) 3.888 2.100 ( 1.294 3.203 1.784) 3.888 2.328 ( -8.526 -7.325 0.679) 11.261 2.328 ( -8.526 7.325 0.679) 11.261 2.621 ( -4.362 -9.389 2.331) 10.612 2.621 ( -4.362 9.389 2.331) 10.612 2.762 ( -6.157 -9.484 2.258) 11.530 2.762 ( -6.157 9.484 2.258) 11.530 3.104 ( -0.151 -4.907 0.439) 4.929 3.104 ( -0.151 4.907 0.439) 4.929 3.231 ( -5.169 -4.038 2.475) 7.011 3.231 ( -5.169 4.038 2.475) 7.011 3.543 ( -4.785 -4.924 -1.317) 6.991 3.543 ( -4.785 4.924 -1.317) 6.991 3.905 ( -3.061 -4.083 -3.903) 6.424 3.905 ( -3.061 4.083 -3.903) 6.424 4.092 ( -2.186 -3.793 -1.506) 4.630 4.092 ( -2.186 3.793 -1.506) 4.630 4.385 ( -1.264 -2.092 -3.084) 3.935 4.385 ( -1.264 2.092 -3.084) 3.935 4.875 ( 1.256 -5.190 0.377) 5.353 4.875 ( 1.256 5.190 0.377) 5.353 5.119 ( -0.053 -1.871 -0.259) 1.890 5.119 ( -0.053 1.871 -0.259) 1.890 5.258 ( 5.598 -1.158 -2.333) 6.174 5.258 ( 5.598 1.158 -2.333) 6.174 5.639 ( 5.368 -1.861 0.759) 5.732 5.639 ( 5.368 1.861 0.759) 5.732 5.812 ( -4.335 -1.590 -1.307) 4.799 5.812 ( -4.335 1.590 -1.307) 4.799 6.076 ( 1.652 -3.033 6.259) 7.149 6.076 ( 1.652 3.033 6.259) 7.149 6.296 ( -1.519 -0.526 1.451) 2.166 6.296 ( -1.519 0.526 1.451) 2.166 6.514 ( 1.562 -0.930 0.234) 1.833 6.514 ( 1.562 0.930 0.234) 1.833 7.108 ( 1.869 -0.858 -1.668) 2.648 7.108 ( 1.869 0.858 -1.668) 2.648 7.538 ( 2.837 -2.468 0.893) 3.865 7.538 ( 2.837 2.468 0.893) 3.865 10.954 ( 1.587 -1.472 -0.389) 2.199 10.954 ( 1.587 1.472 -0.389) 2.199 11.215 ( -0.568 -1.328 2.453) 2.847 11.215 ( -0.568 1.328 2.453) 2.847 11.627 ( 7.179 -4.121 -0.701) 8.308 11.627 ( 7.179 4.121 -0.701) 8.308 12.114 ( 6.350 -15.178 -0.069) 16.453 12.114 ( 6.350 15.178 -0.069) 16.453 12.484 ( -16.019 -11.368 -0.991) 19.668 12.484 ( -16.019 11.368 -0.991) 19.668 13.833 ( -0.399 -0.307 -0.216) 0.548 13.833 ( -0.399 0.307 -0.216) 0.548 ======================= Grid point 149 (76/160) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.130 ( -3.573 -7.102 6.032) 9.979 1.130 ( -3.573 7.102 6.032) 9.979 1.436 ( -1.849 -2.707 -9.028) 9.605 1.436 ( -1.849 2.707 -9.028) 9.605 1.849 ( -0.334 -3.151 -5.382) 6.246 1.849 ( -0.334 3.151 -5.382) 6.246 1.990 ( 3.783 -2.588 -1.598) 4.854 1.990 ( 3.783 2.588 -1.598) 4.854 2.222 ( -1.114 -4.895 1.091) 5.137 2.222 ( -1.114 4.895 1.091) 5.138 2.295 ( 8.803 -3.201 9.042) 13.020 2.295 ( 8.803 3.201 9.042) 13.020 2.567 ( -4.106 -4.138 -0.741) 5.876 2.567 ( -4.106 4.138 -0.741) 5.876 2.732 ( -0.390 -5.634 4.541) 7.247 2.732 ( -0.390 5.634 4.541) 7.247 3.094 ( -2.397 -1.386 -0.130) 2.772 3.094 ( -2.397 1.386 -0.130) 2.772 3.217 ( -0.512 -5.697 2.338) 6.180 3.217 ( -0.512 5.697 2.338) 6.180 3.509 ( 0.951 -6.522 -0.274) 6.597 3.509 ( 0.951 6.522 -0.274) 6.597 3.815 ( 1.067 -4.513 -9.366) 10.451 3.815 ( 1.067 4.513 -9.366) 10.451 4.021 ( -2.344 -5.636 -2.956) 6.782 4.021 ( -2.344 5.636 -2.956) 6.782 4.348 ( 1.341 -0.682 -5.044) 5.264 4.348 ( 1.341 0.682 -5.044) 5.264 4.888 ( -0.104 -6.957 0.571) 6.981 4.888 ( -0.104 6.957 0.571) 6.981 5.087 ( -0.872 -4.533 -2.376) 5.191 5.087 ( -0.872 4.533 -2.376) 5.191 5.283 ( 1.705 -4.430 -3.645) 5.985 5.283 ( 1.705 4.430 -3.645) 5.985 5.721 ( -0.432 -2.190 2.465) 3.326 5.721 ( -0.432 2.190 2.465) 3.326 5.767 ( 1.142 -1.714 0.421) 2.103 5.767 ( 1.142 1.714 0.421) 2.103 6.161 ( -1.049 -3.079 8.701) 9.289 6.161 ( -1.049 3.079 8.701) 9.289 6.298 ( -0.861 -0.966 2.400) 2.727 6.298 ( -0.861 0.966 2.400) 2.727 6.526 ( -0.270 -2.001 -0.148) 2.025 6.526 ( -0.270 2.001 -0.148) 2.025 7.099 ( 0.341 -2.290 -2.882) 3.697 7.099 ( 0.341 2.290 -2.882) 3.697 7.581 ( 0.251 -2.009 2.205) 2.993 7.581 ( 0.251 2.009 2.205) 2.993 10.979 ( 0.896 -1.204 0.962) 1.782 10.979 ( 0.896 1.204 0.962) 1.782 11.253 ( -0.192 -2.082 5.244) 5.645 11.253 ( -0.192 2.082 5.244) 5.645 11.675 ( -0.117 -3.070 -2.035) 3.685 11.675 ( -0.117 3.070 -2.035) 3.685 12.198 ( 0.439 -18.662 -1.354) 18.716 12.198 ( 0.439 18.662 -1.354) 18.716 12.286 ( -0.861 -18.277 -1.937) 18.400 12.286 ( -0.861 18.277 -1.937) 18.400 13.826 ( -0.016 -0.127 -0.507) 0.523 13.826 ( -0.016 0.127 -0.507) 0.523 ======================= Grid point 151 (77/160) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.107 ( -4.359 -3.666 -0.007) 5.696 1.107 ( -4.359 3.666 -0.007) 5.696 1.336 ( 3.933 -1.508 -7.974) 9.018 1.336 ( 3.933 1.508 -7.974) 9.018 1.784 ( -3.796 -1.008 -1.874) 4.352 1.784 ( -3.796 1.008 -1.874) 4.352 1.994 ( -3.184 -5.139 7.529) 9.655 1.994 ( -3.184 5.139 7.529) 9.655 2.279 ( -0.321 -7.293 -0.447) 7.313 2.279 ( -0.321 7.293 -0.447) 7.313 2.383 ( 1.096 -1.824 1.836) 2.810 2.383 ( 1.096 1.824 1.836) 2.810 2.684 ( 9.925 -1.470 7.130) 12.309 2.684 ( 9.925 1.470 7.130) 12.309 2.783 ( 3.174 -5.835 -0.497) 6.661 2.783 ( 3.174 5.835 -0.497) 6.661 3.060 ( 1.241 -0.837 -2.317) 2.759 3.060 ( 1.241 0.837 -2.317) 2.759 3.205 ( -2.693 -4.363 -0.962) 5.216 3.205 ( -2.693 4.363 -0.962) 5.216 3.553 ( 5.744 -6.330 -0.993) 8.606 3.553 ( 5.744 6.330 -0.993) 8.606 3.772 ( 6.208 -2.910 -7.785) 10.374 3.772 ( 6.208 2.910 -7.785) 10.374 3.988 ( 1.115 -4.241 -0.941) 4.485 3.988 ( 1.115 4.241 -0.941) 4.485 4.299 ( 1.212 -2.525 -7.778) 8.267 4.299 ( 1.212 2.525 -7.778) 8.267 4.886 ( -1.509 -5.165 1.085) 5.490 4.886 ( -1.509 5.165 1.085) 5.490 5.061 ( 0.278 -5.629 -1.135) 5.749 5.061 ( 0.278 5.629 -1.135) 5.749 5.259 ( 0.112 -5.599 -2.490) 6.128 5.259 ( 0.112 5.599 -2.490) 6.128 5.696 ( -4.072 -0.925 2.280) 4.758 5.696 ( -4.072 0.925 2.280) 4.758 5.802 ( 0.858 -1.807 -0.272) 2.019 5.802 ( 0.858 1.807 -0.272) 2.019 6.222 ( -1.965 -3.272 6.022) 7.130 6.222 ( -1.965 3.272 6.022) 7.130 6.318 ( -1.752 -0.425 5.065) 5.376 6.318 ( -1.752 0.425 5.065) 5.376 6.505 ( -1.600 -2.076 -0.583) 2.685 6.505 ( -1.600 2.076 -0.583) 2.685 7.066 ( -0.491 -3.622 -2.689) 4.537 7.066 ( -0.491 3.622 -2.689) 4.537 7.586 ( -2.876 -2.398 2.130) 4.308 7.586 ( -2.876 2.398 2.130) 4.308 10.995 ( -0.584 -0.251 1.279) 1.428 10.995 ( -0.584 0.251 1.279) 1.428 11.307 ( -0.724 -3.862 4.725) 6.145 11.307 ( -0.724 3.862 4.725) 6.145 11.606 ( -5.359 -4.090 0.864) 6.797 11.606 ( -5.359 4.090 0.864) 6.797 12.074 ( -6.534 -17.019 -3.963) 18.656 12.074 ( -6.534 17.019 -3.963) 18.656 12.434 ( 14.993 -17.384 -1.836) 23.030 12.434 ( 14.993 17.384 -1.836) 23.030 13.823 ( 0.484 -0.177 -0.548) 0.752 13.823 ( 0.484 0.177 -0.548) 0.752 ======================= Grid point 153 (78/160) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.041 ( -0.757 -3.374 -1.533) 3.783 1.041 ( -0.757 3.374 -1.533) 3.783 1.357 ( 4.846 -5.154 -4.657) 8.469 1.357 ( 4.846 5.154 -4.657) 8.469 1.712 ( -2.500 -7.136 -0.789) 7.603 1.712 ( -2.500 7.136 -0.789) 7.603 2.059 ( -5.364 -4.569 10.247) 12.436 2.059 ( -5.364 4.569 10.247) 12.436 2.198 ( -4.751 -4.645 4.200) 7.860 2.198 ( -4.751 4.645 4.200) 7.860 2.466 ( 5.295 -0.687 -4.756) 7.150 2.466 ( 5.295 0.687 -4.756) 7.150 2.665 ( -4.714 -2.392 -5.109) 7.351 2.665 ( -4.714 2.392 -5.109) 7.351 2.952 ( 6.946 -1.995 5.199) 8.902 2.952 ( 6.946 1.995 5.199) 8.902 3.137 ( 13.266 -2.986 -3.713) 14.096 3.137 ( 13.266 2.986 -3.713) 14.096 3.167 ( -0.142 -3.132 1.437) 3.449 3.167 ( -0.142 3.132 1.437) 3.449 3.639 ( 4.980 -7.777 -1.145) 9.306 3.639 ( 4.980 7.777 -1.145) 9.306 3.845 ( 9.582 -2.000 -5.241) 11.103 3.845 ( 9.582 2.000 -5.241) 11.103 4.021 ( 5.134 -4.463 -2.018) 7.095 4.021 ( 5.134 4.463 -2.018) 7.095 4.245 ( 2.101 -3.364 -4.250) 5.813 4.245 ( 2.101 3.364 -4.250) 5.813 4.855 ( -3.218 -1.097 0.007) 3.400 4.855 ( -3.218 1.097 0.007) 3.400 5.070 ( 0.120 -1.095 1.633) 1.970 5.070 ( 0.120 1.095 1.633) 1.970 5.248 ( 1.228 -4.701 -1.075) 4.977 5.248 ( 1.228 4.701 -1.075) 4.977 5.637 ( -6.416 -0.389 1.343) 6.567 5.637 ( -6.416 0.389 1.343) 6.567 5.789 ( -1.972 -2.014 0.269) 2.832 5.789 ( -1.972 2.014 0.269) 2.832 6.229 ( -1.091 -3.671 0.566) 3.871 6.229 ( -1.091 3.671 0.566) 3.871 6.341 ( -3.405 -3.133 6.047) 7.614 6.341 ( -3.405 3.133 6.047) 7.614 6.473 ( -1.343 -0.086 -0.596) 1.472 6.473 ( -1.343 0.086 -0.596) 1.472 7.031 ( -0.940 -4.420 -1.595) 4.792 7.031 ( -0.940 4.420 -1.595) 4.792 7.533 ( -5.928 -3.031 1.053) 6.741 7.533 ( -5.928 3.031 1.053) 6.741 10.981 ( -2.297 -1.059 0.067) 2.530 10.981 ( -2.297 1.059 0.067) 2.530 11.305 ( -2.650 -3.418 0.701) 4.382 11.305 ( -2.650 3.418 0.701) 4.382 11.587 ( -1.616 -5.506 5.593) 8.013 11.587 ( -1.616 5.506 5.593) 8.013 11.925 ( -7.238 -13.211 -3.285) 15.418 11.925 ( -7.238 13.211 -3.285) 15.418 12.667 ( 16.807 -15.826 -2.270) 23.196 12.667 ( 16.807 15.826 -2.270) 23.196 13.829 ( 0.717 -0.410 -0.338) 0.893 13.829 ( 0.717 0.410 -0.338) 0.893 ======================= Grid point 155 (79/160) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.057 ( 2.327 -2.826 0.575) 3.706 1.057 ( 2.327 2.826 0.575) 3.706 1.371 ( -0.570 -3.460 1.886) 3.982 1.371 ( -0.570 3.460 1.886) 3.982 1.678 ( 1.604 -6.012 -6.403) 8.928 1.678 ( 1.604 6.012 -6.403) 8.928 1.966 ( -5.952 -7.230 -1.603) 9.501 1.966 ( -5.952 7.230 -1.603) 9.501 2.270 ( -2.146 -3.820 4.409) 6.216 2.270 ( -2.146 3.820 4.409) 6.216 2.376 ( -3.222 -6.247 -2.340) 7.409 2.376 ( -3.222 6.247 -2.340) 7.409 2.643 ( -0.132 -3.208 4.861) 5.825 2.643 ( -0.132 3.208 4.861) 5.825 3.074 ( 5.460 -3.154 0.660) 6.340 3.074 ( 5.460 3.154 0.660) 6.340 3.229 ( 2.904 -1.771 6.182) 7.056 3.229 ( 2.904 1.771 6.182) 7.056 3.349 ( 14.689 -5.214 -2.965) 15.866 3.349 ( 14.689 5.214 -2.965) 15.866 3.687 ( 5.121 -8.534 -5.667) 11.453 3.687 ( 5.121 8.534 -5.667) 11.453 3.822 ( 0.062 -4.061 -7.253) 8.313 3.822 ( 0.062 4.061 -7.253) 8.313 4.169 ( 12.527 -8.815 0.807) 15.339 4.169 ( 12.527 8.815 0.807) 15.339 4.301 ( 5.318 -5.700 1.739) 7.987 4.301 ( 5.318 5.700 1.739) 7.987 4.788 ( -4.817 -5.320 -0.285) 7.182 4.788 ( -4.817 5.320 -0.285) 7.182 5.082 ( -2.970 -3.961 3.345) 5.975 5.082 ( -2.970 3.961 3.345) 5.975 5.263 ( 1.597 -3.699 -1.697) 4.371 5.263 ( 1.597 3.699 -1.697) 4.371 5.525 ( -7.535 -1.676 -0.068) 7.719 5.525 ( -7.535 1.676 -0.068) 7.719 5.760 ( -2.220 -1.770 0.898) 2.978 5.760 ( -2.220 1.770 0.898) 2.978 6.210 ( -0.742 -4.283 -1.469) 4.588 6.210 ( -0.742 4.283 -1.469) 4.588 6.351 ( -1.384 -2.242 3.793) 4.618 6.351 ( -1.384 2.242 3.793) 4.618 6.452 ( -0.901 -2.164 -0.173) 2.350 6.452 ( -0.901 2.164 -0.173) 2.350 6.998 ( -1.440 -5.207 -1.176) 5.529 6.998 ( -1.440 5.207 -1.176) 5.529 7.428 ( -7.653 -3.764 0.131) 8.530 7.428 ( -7.653 3.764 0.131) 8.530 10.932 ( -2.600 -1.426 -1.112) 3.167 10.932 ( -2.600 1.426 -1.112) 3.167 11.277 ( -1.174 -2.067 0.433) 2.416 11.277 ( -1.174 2.067 0.433) 2.416 11.620 ( -0.285 -6.659 0.456) 6.681 11.620 ( -0.285 6.659 0.456) 6.681 11.792 ( -7.219 -9.791 1.124) 12.216 11.792 ( -7.219 9.791 1.124) 12.216 12.903 ( 14.743 -14.861 -0.752) 20.947 12.903 ( 14.743 14.861 -0.752) 20.947 13.836 ( 0.380 -0.560 -0.103) 0.685 13.836 ( 0.380 0.560 -0.103) 0.685 ======================= Grid point 157 (80/160) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.096 ( 1.807 -1.521 -0.093) 2.364 1.096 ( 1.807 1.521 -0.093) 2.364 1.358 ( -4.762 -5.181 1.335) 7.163 1.358 ( -4.762 5.181 1.335) 7.163 1.608 ( 4.356 -8.525 -11.699) 15.117 1.608 ( 4.356 8.525 -11.699) 15.117 1.952 ( 0.132 -1.901 5.940) 6.238 1.952 ( 0.132 1.901 5.940) 6.238 2.198 ( 1.403 -3.905 -4.932) 6.445 2.198 ( 1.403 3.905 -4.932) 6.445 2.364 ( -6.623 -3.591 5.221) 9.166 2.364 ( -6.623 3.591 5.221) 9.166 2.696 ( -1.667 -8.407 6.079) 10.508 2.696 ( -1.667 8.407 6.079) 10.508 3.143 ( 1.661 -1.397 1.517) 2.648 3.143 ( 1.661 1.397 1.517) 2.648 3.337 ( 2.368 -5.909 -1.153) 6.470 3.337 ( 2.368 5.909 -1.153) 6.470 3.477 ( 4.910 -0.541 -1.971) 5.319 3.477 ( 4.910 0.541 -1.971) 5.319 3.653 ( 1.250 -9.112 1.825) 9.376 3.653 ( 1.250 9.112 1.825) 9.376 3.889 ( 12.988 -7.629 -3.836) 15.544 3.889 ( 12.988 7.629 -3.836) 15.544 4.367 ( 9.050 -6.898 0.876) 11.412 4.367 ( 9.050 6.898 0.876) 11.412 4.402 ( 4.390 -11.312 3.545) 12.641 4.402 ( 4.390 11.312 3.545) 12.641 4.709 ( -4.761 -8.104 0.631) 9.420 4.709 ( -4.761 8.104 0.631) 9.420 4.995 ( -11.940 -3.537 1.231) 12.513 4.995 ( -11.940 3.537 1.231) 12.513 5.254 ( 1.290 -5.976 -3.159) 6.881 5.254 ( 1.290 5.976 -3.159) 6.881 5.446 ( -1.447 -0.945 -1.136) 2.068 5.446 ( -1.447 0.945 -1.136) 2.068 5.742 ( -1.426 -2.057 1.136) 2.749 5.742 ( -1.426 2.057 1.136) 2.749 6.182 ( 0.143 -2.591 -2.035) 3.298 6.182 ( 0.143 2.591 -2.035) 3.298 6.382 ( 0.366 -1.094 2.131) 2.423 6.382 ( 0.366 1.094 2.131) 2.423 6.435 ( -1.042 -3.391 -0.105) 3.549 6.435 ( -1.042 3.391 -0.105) 3.549 6.962 ( -0.831 -4.945 -1.787) 5.323 6.962 ( -0.831 4.945 -1.787) 5.323 7.318 ( -5.881 -3.715 0.558) 6.978 7.318 ( -5.881 3.715 0.558) 6.978 10.891 ( -1.038 -1.195 -0.735) 1.745 10.891 ( -1.038 1.195 -0.735) 1.745 11.277 ( 0.473 -2.243 0.236) 2.305 11.277 ( 0.473 2.243 0.236) 2.305 11.574 ( -1.252 -3.740 -4.265) 5.809 11.574 ( -1.252 3.740 -4.265) 5.809 11.727 ( -4.623 -9.144 2.053) 10.450 11.727 ( -4.623 9.144 2.053) 10.450 13.102 ( 9.004 -13.817 1.923) 16.603 13.102 ( 9.004 13.817 1.923) 16.603 13.837 ( -0.127 -0.486 0.031) 0.503 13.837 ( -0.127 0.486 0.031) 0.503 ======================= Grid point 189 (81/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -6.888 0.000 16.483) 17.864 0.806 ( -3.263 0.000 20.604) 20.860 1.113 ( 8.381 0.000 -6.803) 10.795 1.184 ( 3.270 0.000 -2.108) 3.890 1.277 ( -1.168 0.000 -0.098) 1.172 1.445 ( 6.321 0.000 18.146) 19.215 1.511 ( 4.638 0.000 -6.530) 8.009 2.051 ( -2.836 0.000 -10.450) 10.828 2.079 ( -1.759 0.000 1.750) 2.481 2.486 ( 16.003 0.000 -7.571) 17.704 2.555 ( -18.780 0.000 -2.627) 18.963 2.742 ( -14.458 0.000 -13.622) 19.864 2.882 ( 1.234 0.000 6.916) 7.025 2.949 ( -0.182 0.000 10.974) 10.975 3.138 ( -0.963 0.000 -1.818) 2.057 3.242 ( -4.050 0.000 9.680) 10.493 3.290 ( -13.143 0.000 12.568) 18.185 3.385 ( -1.831 0.000 3.896) 4.305 3.451 ( 3.802 0.000 -3.425) 5.117 3.545 ( 6.794 0.000 8.854) 11.160 3.624 ( 15.365 0.000 -9.017) 17.815 3.840 ( -7.263 0.000 8.660) 11.302 3.964 ( 11.342 0.000 -7.716) 13.718 4.095 ( -3.459 0.000 -1.384) 3.726 4.172 ( 1.975 0.000 -3.712) 4.204 4.273 ( -6.885 0.000 -6.947) 9.781 4.280 ( 8.758 0.000 -3.213) 9.329 4.504 ( 0.160 0.000 -14.217) 14.218 4.520 ( 5.934 0.000 4.692) 7.565 4.645 ( -11.731 0.000 -0.609) 11.747 4.939 ( 1.261 0.000 7.319) 7.427 5.023 ( 2.590 0.000 4.301) 5.021 5.095 ( 0.560 0.000 -1.329) 1.442 5.104 ( 1.022 0.000 -1.537) 1.846 5.443 ( -2.220 0.000 6.523) 6.891 5.702 ( 4.978 0.000 -7.850) 9.296 5.737 ( -1.186 0.000 2.460) 2.731 5.810 ( -0.384 0.000 0.021) 0.385 6.154 ( -5.903 0.000 3.871) 7.059 6.368 ( -1.493 0.000 -4.718) 4.948 6.484 ( -1.694 0.000 2.257) 2.822 6.565 ( 0.418 0.000 -2.123) 2.164 6.586 ( -6.724 0.000 7.254) 9.891 6.716 ( -4.315 0.000 -3.276) 5.417 6.719 ( 3.478 0.000 3.665) 5.053 6.962 ( 6.623 0.000 -6.044) 8.966 7.020 ( 13.110 0.000 0.893) 13.140 7.111 ( -5.256 0.000 -3.008) 6.056 10.816 ( -1.692 0.000 1.528) 2.280 10.968 ( 0.283 0.000 -5.266) 5.274 11.162 ( -1.104 0.000 1.551) 1.904 11.306 ( 1.391 0.000 -0.038) 1.392 11.339 ( 3.691 0.000 1.129) 3.859 11.371 ( -0.160 0.000 -8.497) 8.499 11.833 ( -14.313 0.000 0.362) 14.318 11.847 ( 10.069 0.000 -0.245) 10.072 12.853 ( -9.812 0.000 18.010) 20.509 13.403 ( 11.605 0.000 -10.855) 15.890 13.807 ( 0.620 0.000 1.387) 1.520 13.833 ( -0.380 0.000 0.055) 0.384 ======================= Grid point 190 (82/160) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.828 ( 7.484 0.000 8.497) 11.323 1.006 ( 1.740 0.000 16.945) 17.034 1.203 ( -3.716 0.000 -3.194) 4.900 1.213 ( 14.446 0.000 -10.089) 17.620 1.271 ( 7.157 0.000 2.631) 7.625 1.330 ( -1.572 0.000 -12.560) 12.658 1.802 ( 2.009 0.000 8.937) 9.160 1.882 ( -4.079 0.000 -8.262) 9.214 2.134 ( -0.420 0.000 5.889) 5.904 2.323 ( -8.940 0.000 -18.851) 20.864 2.429 ( 1.048 0.000 14.417) 14.455 2.687 ( 4.583 0.000 4.715) 6.575 2.910 ( -7.425 0.000 3.924) 8.398 3.028 ( -0.446 0.000 0.688) 0.820 3.118 ( -3.279 0.000 8.163) 8.797 3.124 ( -4.274 0.000 5.084) 6.641 3.317 ( -1.888 0.000 -6.678) 6.940 3.356 ( -5.615 0.000 1.372) 5.780 3.422 ( -3.409 0.000 5.759) 6.693 3.688 ( -6.347 0.000 -7.918) 10.148 3.740 ( 0.888 0.000 3.122) 3.246 3.865 ( 5.520 0.000 -12.087) 13.287 3.880 ( -1.097 0.000 12.661) 12.709 4.048 ( -2.613 0.000 4.118) 4.877 4.103 ( -5.888 0.000 -0.879) 5.953 4.203 ( 4.311 0.000 -2.182) 4.832 4.332 ( 2.637 0.000 -17.471) 17.669 4.410 ( 9.120 0.000 0.264) 9.123 4.572 ( 1.430 0.000 -2.982) 3.307 4.701 ( 8.248 0.000 5.930) 10.158 4.977 ( -3.474 0.000 3.392) 4.856 5.079 ( 0.015 0.000 -0.363) 0.364 5.094 ( 1.095 0.000 -2.467) 2.699 5.098 ( 0.691 0.000 -1.582) 1.726 5.477 ( -2.273 0.000 6.596) 6.977 5.675 ( 2.328 0.000 -8.180) 8.505 5.755 ( 0.003 0.000 3.533) 3.533 5.813 ( 1.527 0.000 -1.260) 1.980 6.187 ( -1.126 0.000 9.721) 9.786 6.291 ( -0.723 0.000 -4.219) 4.281 6.453 ( -5.077 0.000 1.593) 5.321 6.487 ( -7.769 0.000 -2.615) 8.197 6.511 ( -10.150 0.000 6.075) 11.829 6.571 ( -7.794 0.000 -0.801) 7.835 6.870 ( 8.624 0.000 4.856) 9.897 6.986 ( 0.866 0.000 -6.966) 7.019 7.078 ( 9.287 0.000 -4.974) 10.535 7.206 ( 10.556 0.000 -2.402) 10.826 10.826 ( -0.272 0.000 3.142) 3.154 10.927 ( 1.112 0.000 -4.152) 4.298 11.170 ( -0.429 0.000 2.050) 2.094 11.292 ( 1.139 0.000 -6.457) 6.557 11.313 ( -1.300 0.000 0.050) 1.301 11.376 ( 1.090 0.000 -0.859) 1.388 11.636 ( -12.096 0.000 3.940) 12.722 11.968 ( 4.060 0.000 -1.324) 4.270 12.930 ( -2.773 0.000 16.877) 17.103 13.441 ( 9.433 0.000 -14.137) 16.995 13.828 ( 0.041 0.000 -0.440) 0.442 13.836 ( 1.315 0.000 0.689) 1.484 ======================= Grid point 191 (83/160) ======================= q-point: ( 0.20 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -4.328 0.000 -7.858) 8.971 1.172 ( -5.157 0.000 -2.312) 5.651 1.203 ( 6.183 0.000 7.837) 9.983 1.249 ( 7.129 0.000 3.882) 8.118 1.296 ( 7.412 0.000 -10.642) 12.969 1.440 ( 7.658 0.000 5.842) 9.632 1.797 ( 6.855 0.000 -7.926) 10.480 1.829 ( -1.763 0.000 2.083) 2.729 2.096 ( -1.392 0.000 -7.068) 7.204 2.200 ( 7.564 0.000 -0.024) 7.564 2.570 ( -11.192 0.000 4.088) 11.915 2.626 ( -16.921 0.000 3.843) 17.352 2.859 ( -4.674 0.000 8.494) 9.695 3.061 ( 3.062 0.000 3.177) 4.413 3.155 ( -4.158 0.000 7.179) 8.297 3.165 ( -5.276 0.000 -7.821) 9.434 3.217 ( 6.399 0.000 -2.942) 7.043 3.279 ( -4.422 0.000 2.700) 5.181 3.413 ( -2.334 0.000 5.481) 5.957 3.439 ( -3.645 0.000 -4.617) 5.883 3.716 ( 0.861 0.000 -7.640) 7.688 3.891 ( -1.897 0.000 -1.591) 2.476 3.920 ( -4.147 0.000 5.336) 6.758 4.064 ( 5.645 0.000 -1.011) 5.735 4.147 ( 0.028 0.000 12.074) 12.074 4.198 ( 3.047 0.000 -14.832) 15.142 4.278 ( 7.415 0.000 -1.877) 7.648 4.548 ( 7.387 0.000 -0.639) 7.415 4.596 ( 6.346 0.000 -5.131) 8.161 4.865 ( 4.377 0.000 5.256) 6.839 4.916 ( -8.558 0.000 2.688) 8.970 5.001 ( -5.731 0.000 -4.106) 7.050 5.073 ( 0.453 0.000 -2.811) 2.847 5.094 ( 0.501 0.000 -0.540) 0.737 5.511 ( -3.092 0.000 6.770) 7.443 5.598 ( -0.756 0.000 -8.259) 8.293 5.822 ( 2.720 0.000 3.969) 4.812 5.824 ( 2.257 0.000 -2.399) 3.294 6.276 ( -1.293 0.000 8.009) 8.112 6.277 ( 0.166 0.000 -0.966) 0.980 6.313 ( -6.966 0.000 -2.899) 7.546 6.367 ( -7.500 0.000 3.024) 8.087 6.424 ( -7.021 0.000 2.633) 7.498 6.445 ( -8.884 0.000 1.137) 8.956 6.952 ( 3.846 0.000 -4.998) 6.307 7.067 ( 8.540 0.000 5.545) 10.182 7.184 ( 10.382 0.000 -4.908) 11.484 7.309 ( 5.989 0.000 -2.172) 6.371 10.870 ( 0.379 0.000 4.464) 4.480 10.915 ( 1.777 0.000 -2.366) 2.959 11.188 ( 0.044 0.000 1.647) 1.647 11.257 ( 1.139 0.000 -3.309) 3.499 11.273 ( -1.672 0.000 -2.810) 3.270 11.357 ( -1.759 0.000 -1.557) 2.349 11.552 ( -5.667 0.000 6.271) 8.453 11.927 ( -5.271 0.000 -2.310) 5.755 13.136 ( 5.117 0.000 15.089) 15.933 13.404 ( 6.257 0.000 -14.584) 15.870 13.826 ( 0.509 0.000 -0.605) 0.791 13.859 ( 1.047 0.000 -0.051) 1.049 ======================= Grid point 192 (84/160) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.706 ( -8.209 0.000 2.890) 8.703 1.107 ( 0.196 0.000 -0.810) 0.833 1.181 ( 3.406 0.000 -19.469) 19.765 1.390 ( 2.999 0.000 5.282) 6.074 1.415 ( 7.485 0.000 9.357) 11.983 1.619 ( 4.713 0.000 5.388) 7.159 1.864 ( 3.037 0.000 -1.099) 3.229 1.882 ( 3.353 0.000 3.951) 5.182 2.122 ( 9.133 0.000 -0.539) 9.149 2.271 ( -12.305 0.000 -6.837) 14.077 2.344 ( 5.437 0.000 -1.628) 5.676 2.387 ( -14.145 0.000 1.199) 14.196 2.851 ( -0.441 0.000 -4.774) 4.795 2.938 ( -4.152 0.000 -8.604) 9.554 3.046 ( -6.772 0.000 7.687) 10.244 3.074 ( -7.644 0.000 -14.399) 16.302 3.156 ( -4.193 0.000 -6.353) 7.612 3.325 ( 1.479 0.000 12.335) 12.424 3.519 ( 4.056 0.000 4.697) 6.205 3.572 ( 1.855 0.000 9.778) 9.953 3.611 ( 0.705 0.000 -13.742) 13.760 3.888 ( 2.287 0.000 8.722) 9.017 3.911 ( -2.726 0.000 3.484) 4.424 4.059 ( 3.136 0.000 -13.173) 13.542 4.221 ( 7.579 0.000 -0.113) 7.580 4.256 ( -0.234 0.000 8.753) 8.756 4.377 ( 7.176 0.000 -1.702) 7.375 4.595 ( 4.087 0.000 -7.156) 8.240 4.642 ( 5.746 0.000 -4.688) 7.415 4.764 ( -13.900 0.000 3.108) 14.243 4.877 ( -6.355 0.000 0.881) 6.416 4.969 ( 2.957 0.000 3.649) 4.697 5.077 ( 3.605 0.000 -1.135) 3.780 5.096 ( 0.188 0.000 -0.245) 0.309 5.481 ( -1.984 0.000 -8.502) 8.730 5.515 ( -5.866 0.000 7.072) 9.188 5.836 ( 2.761 0.000 -2.356) 3.629 5.871 ( -1.283 0.000 -0.387) 1.340 6.184 ( -1.191 0.000 -0.865) 1.472 6.256 ( -5.831 0.000 2.472) 6.333 6.311 ( -4.914 0.000 0.741) 4.970 6.322 ( -4.452 0.000 -0.170) 4.456 6.334 ( -1.566 0.000 1.428) 2.119 6.372 ( -3.493 0.000 6.027) 6.966 6.989 ( 4.426 0.000 -1.389) 4.639 7.244 ( 6.205 0.000 5.140) 8.057 7.302 ( 9.079 0.000 -1.869) 9.269 7.354 ( 2.532 0.000 -1.810) 3.113 10.922 ( 1.599 0.000 -1.875) 2.464 10.923 ( -0.302 0.000 4.440) 4.450 11.206 ( 0.719 0.000 0.679) 0.989 11.221 ( 0.021 0.000 -2.760) 2.760 11.254 ( 1.518 0.000 -1.253) 1.969 11.305 ( -2.549 0.000 -0.728) 2.651 11.570 ( -3.024 0.000 8.472) 8.996 11.812 ( -5.209 0.000 -1.695) 5.478 13.338 ( 1.374 0.000 9.598) 9.696 13.344 ( 6.289 0.000 -13.819) 15.182 13.835 ( 1.015 0.000 0.319) 1.064 13.869 ( 0.643 0.000 -0.435) 0.776 ======================= Grid point 193 (85/160) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -5.325 0.000 16.712) 17.540 1.053 ( 3.908 0.000 -12.674) 13.263 1.168 ( 4.389 0.000 4.542) 6.316 1.508 ( 6.008 0.000 5.480) 8.131 1.603 ( 0.470 0.000 6.047) 6.065 1.659 ( 2.212 0.000 -3.122) 3.826 1.825 ( -12.474 0.000 -0.919) 12.507 1.858 ( -2.119 0.000 2.212) 3.063 2.121 ( -6.636 0.000 -4.049) 7.774 2.178 ( 4.486 0.000 2.023) 4.921 2.366 ( 4.583 0.000 -12.297) 13.123 2.410 ( 10.296 0.000 4.769) 11.347 2.793 ( 0.819 0.000 -4.123) 4.204 2.800 ( -3.503 0.000 -15.027) 15.430 2.854 ( 1.965 0.000 -4.331) 4.756 2.965 ( -11.163 0.000 -6.640) 12.988 3.110 ( 0.114 0.000 9.616) 9.617 3.448 ( 0.796 0.000 6.029) 6.081 3.477 ( 2.382 0.000 -11.363) 11.610 3.575 ( -8.949 0.000 7.263) 11.525 3.594 ( 3.089 0.000 -0.813) 3.194 3.921 ( 0.012 0.000 2.864) 2.864 3.944 ( 0.306 0.000 -11.185) 11.189 4.089 ( 4.080 0.000 2.338) 4.702 4.286 ( 0.470 0.000 1.502) 1.574 4.339 ( -0.598 0.000 7.960) 7.982 4.466 ( 3.124 0.000 2.511) 4.009 4.564 ( 5.093 0.000 -10.425) 11.603 4.618 ( -4.482 0.000 4.245) 6.173 4.680 ( 3.326 0.000 -2.425) 4.116 4.809 ( -6.164 0.000 3.588) 7.133 4.998 ( -1.611 0.000 -1.904) 2.494 5.119 ( 1.405 0.000 2.226) 2.633 5.155 ( 5.026 0.000 0.153) 5.029 5.389 ( 2.671 0.000 -6.082) 6.643 5.481 ( -7.539 0.000 6.136) 9.721 5.807 ( -1.504 0.000 -2.718) 3.107 5.858 ( 2.511 0.000 -1.943) 3.175 6.202 ( -3.266 0.000 1.879) 3.768 6.209 ( -2.573 0.000 1.549) 3.003 6.217 ( -1.273 0.000 0.497) 1.367 6.237 ( -5.168 0.000 -0.341) 5.179 6.364 ( 0.859 0.000 0.694) 1.104 6.377 ( -2.628 0.000 2.825) 3.858 7.050 ( 3.728 0.000 0.981) 3.855 7.340 ( -2.373 0.000 0.970) 2.564 7.377 ( 4.866 0.000 0.953) 4.959 7.417 ( 5.940 0.000 0.441) 5.956 10.924 ( 1.811 0.000 -2.055) 2.739 10.944 ( -1.934 0.000 2.506) 3.166 11.223 ( 2.417 0.000 -1.592) 2.894 11.226 ( 0.935 0.000 -0.018) 0.935 11.274 ( -0.844 0.000 0.813) 1.172 11.281 ( 1.676 0.000 1.562) 2.291 11.615 ( -4.350 0.000 9.650) 10.585 11.746 ( -1.441 0.000 -0.358) 1.484 13.321 ( 8.567 0.000 -11.479) 14.324 13.362 ( -6.174 0.000 2.399) 6.624 13.860 ( 0.604 0.000 1.118) 1.270 13.872 ( 0.492 0.000 -0.466) 0.677 ======================= Grid point 194 (86/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.852 ( -2.869 0.000 19.854) 20.061 1.054 ( 3.208 0.000 2.039) 3.801 1.274 ( -1.512 0.000 4.082) 4.353 1.522 ( -3.259 0.000 -7.555) 8.228 1.642 ( -2.842 0.000 -3.730) 4.689 1.645 ( -1.124 0.000 -4.576) 4.712 1.712 ( 9.620 0.000 4.377) 10.569 1.882 ( -5.166 0.000 7.008) 8.706 2.032 ( 6.632 0.000 -9.227) 11.363 2.213 ( -2.665 0.000 2.870) 3.917 2.331 ( 6.405 0.000 -8.014) 10.259 2.528 ( -3.226 0.000 1.861) 3.724 2.673 ( 3.655 0.000 -7.073) 7.962 2.680 ( -13.107 0.000 -3.466) 13.558 2.808 ( 5.856 0.000 -5.712) 8.180 2.868 ( 3.037 0.000 -5.729) 6.485 3.198 ( -2.798 0.000 8.942) 9.370 3.423 ( -8.094 0.000 0.391) 8.104 3.457 ( 4.581 0.000 -3.040) 5.499 3.543 ( -3.841 0.000 6.203) 7.296 3.676 ( 9.405 0.000 -0.627) 9.425 3.788 ( -5.036 0.000 -9.420) 10.682 3.979 ( 2.298 0.000 3.911) 4.536 4.003 ( -6.316 0.000 -3.693) 7.316 4.348 ( 2.088 0.000 0.329) 2.113 4.404 ( -1.804 0.000 7.072) 7.298 4.529 ( 3.657 0.000 -9.500) 10.179 4.530 ( 3.065 0.000 2.772) 4.133 4.675 ( 0.718 0.000 4.301) 4.360 4.744 ( 6.813 0.000 1.378) 6.951 4.764 ( -1.353 0.000 -0.010) 1.353 4.904 ( -4.835 0.000 -4.874) 6.866 5.138 ( -2.133 0.000 1.895) 2.853 5.183 ( 0.892 0.000 -1.482) 1.730 5.408 ( -8.427 0.000 3.607) 9.166 5.478 ( 10.489 0.000 -0.368) 10.495 5.804 ( 2.215 0.000 -0.389) 2.249 5.853 ( -0.524 0.000 -2.808) 2.857 6.146 ( -2.741 0.000 2.192) 3.509 6.173 ( -1.869 0.000 0.321) 1.896 6.209 ( -0.328 0.000 2.236) 2.260 6.257 ( 1.510 0.000 1.086) 1.860 6.353 ( -0.782 0.000 -1.446) 1.644 6.354 ( -2.125 0.000 0.553) 2.196 7.135 ( 3.334 0.000 3.994) 5.203 7.268 ( -5.737 0.000 -1.595) 5.955 7.448 ( 2.226 0.000 1.078) 2.473 7.487 ( 2.399 0.000 -0.064) 2.400 10.921 ( -2.819 0.000 0.534) 2.870 10.946 ( 2.914 0.000 -0.835) 3.031 11.217 ( -1.088 0.000 -0.647) 1.265 11.243 ( 2.313 0.000 -1.688) 2.864 11.305 ( 1.898 0.000 1.675) 2.531 11.324 ( 0.992 0.000 1.362) 1.685 11.632 ( -5.995 0.000 8.731) 10.591 11.768 ( 3.686 0.000 1.184) 3.872 13.219 ( -12.209 0.000 -0.770) 12.233 13.370 ( 10.644 0.000 -7.781) 13.185 13.870 ( -0.407 0.000 0.443) 0.602 13.876 ( 0.550 0.000 -0.224) 0.594 ======================= Grid point 195 (87/160) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.398 0.000 21.254) 21.258 1.097 ( -12.946 0.000 -10.996) 16.986 1.140 ( -1.426 0.000 6.100) 6.265 1.357 ( -8.905 0.000 -3.835) 9.696 1.651 ( 12.288 0.000 -6.329) 13.822 1.667 ( 1.224 0.000 7.361) 7.462 1.831 ( 2.796 0.000 -5.711) 6.359 1.834 ( 0.673 0.000 -8.651) 8.677 2.034 ( -1.422 0.000 1.049) 1.768 2.287 ( -0.430 0.000 7.786) 7.798 2.379 ( -12.327 0.000 -5.861) 13.650 2.382 ( 12.011 0.000 -4.494) 12.824 2.560 ( 2.530 0.000 2.479) 3.542 2.633 ( -9.577 0.000 -1.791) 9.743 2.827 ( 3.369 0.000 -6.320) 7.162 2.841 ( 6.945 0.000 -2.291) 7.313 3.259 ( -3.671 0.000 13.412) 13.906 3.273 ( -11.562 0.000 1.944) 11.725 3.519 ( 3.940 0.000 0.266) 3.949 3.555 ( 3.520 0.000 -4.464) 5.685 3.670 ( 2.697 0.000 -5.495) 6.121 3.838 ( 7.787 0.000 3.367) 8.484 3.897 ( -4.237 0.000 -0.647) 4.287 4.019 ( -4.921 0.000 3.422) 5.994 4.339 ( -1.150 0.000 -0.922) 1.474 4.428 ( 2.024 0.000 -3.644) 4.168 4.491 ( -2.136 0.000 -0.022) 2.136 4.594 ( 2.760 0.000 -3.504) 4.460 4.752 ( 3.854 0.000 6.571) 7.618 4.754 ( -0.437 0.000 -4.492) 4.513 4.775 ( -0.248 0.000 -3.837) 3.845 4.874 ( 5.407 0.000 3.005) 6.186 5.131 ( 0.427 0.000 1.348) 1.414 5.181 ( -0.525 0.000 -0.477) 0.709 5.286 ( -9.975 0.000 0.294) 9.979 5.628 ( 8.238 0.000 -1.886) 8.451 5.787 ( -2.449 0.000 -2.544) 3.531 5.815 ( -1.627 0.000 0.429) 1.683 6.186 ( 3.895 0.000 2.499) 4.627 6.205 ( 3.258 0.000 2.071) 3.861 6.216 ( -2.192 0.000 2.229) 3.126 6.256 ( 0.452 0.000 -1.340) 1.414 6.344 ( 0.748 0.000 0.324) 0.815 6.375 ( 3.120 0.000 1.789) 3.597 7.131 ( -8.649 0.000 -2.140) 8.910 7.221 ( 1.151 0.000 4.538) 4.681 7.468 ( 0.357 0.000 -1.349) 1.395 7.491 ( -0.790 0.000 -1.457) 1.658 10.877 ( -2.631 0.000 -0.168) 2.637 10.993 ( 3.326 0.000 0.082) 3.327 11.189 ( -1.623 0.000 -0.486) 1.694 11.256 ( 1.248 0.000 -1.410) 1.882 11.337 ( 0.153 0.000 -0.089) 0.177 11.339 ( 1.435 0.000 -1.365) 1.980 11.632 ( -4.168 0.000 7.522) 8.600 11.866 ( 6.930 0.000 -0.635) 6.959 12.991 ( -16.110 0.000 1.871) 16.218 13.474 ( 10.329 0.000 -4.744) 11.366 13.861 ( -0.801 0.000 0.085) 0.806 13.884 ( 0.613 0.000 -0.137) 0.628 ======================= Grid point 196 (88/160) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.742 ( -16.130 0.000 -7.366) 17.732 1.025 ( -16.113 0.000 1.784) 16.212 1.244 ( 3.550 0.000 -11.867) 12.387 1.312 ( 3.383 0.000 21.876) 22.136 1.667 ( -8.995 0.000 1.810) 9.175 1.703 ( -5.611 0.000 -7.210) 9.136 1.780 ( -9.495 0.000 0.537) 9.510 1.881 ( 15.024 0.000 0.960) 15.054 2.057 ( 0.821 0.000 -0.105) 0.828 2.075 ( -13.340 0.000 -5.085) 14.276 2.198 ( 1.776 0.000 3.784) 4.180 2.519 ( 0.785 0.000 -4.732) 4.797 2.683 ( 14.380 0.000 9.916) 17.467 2.714 ( 4.758 0.000 7.824) 9.157 2.783 ( 4.134 0.000 -8.959) 9.867 3.014 ( 9.544 0.000 1.253) 9.626 3.131 ( -6.217 0.000 3.574) 7.171 3.357 ( -2.718 0.000 12.604) 12.893 3.533 ( 5.675 0.000 -11.681) 12.986 3.570 ( 1.275 0.000 1.550) 2.007 3.737 ( 9.830 0.000 -5.894) 11.462 3.863 ( -2.264 0.000 5.279) 5.744 3.891 ( -13.340 0.000 3.008) 13.675 3.984 ( 5.566 0.000 2.978) 6.312 4.321 ( -10.349 0.000 -4.884) 11.444 4.321 ( -0.597 0.000 0.337) 0.686 4.430 ( -2.435 0.000 -3.742) 4.465 4.560 ( 0.451 0.000 -5.144) 5.163 4.648 ( -3.904 0.000 -4.732) 6.135 4.874 ( 11.543 0.000 -1.576) 11.650 4.875 ( 0.866 0.000 3.111) 3.229 4.974 ( 3.647 0.000 2.728) 4.554 5.100 ( -9.832 0.000 -2.423) 10.126 5.146 ( -1.174 0.000 -0.905) 1.482 5.200 ( 2.933 0.000 4.184) 5.110 5.664 ( 1.409 0.000 -2.251) 2.655 5.775 ( -3.700 0.000 1.066) 3.850 5.794 ( 3.316 0.000 0.808) 3.413 6.165 ( -3.707 0.000 -0.079) 3.707 6.274 ( 5.355 0.000 1.259) 5.501 6.316 ( 6.642 0.000 0.231) 6.646 6.321 ( 4.329 0.000 3.964) 5.870 6.369 ( 2.604 0.000 -0.513) 2.654 6.456 ( 4.613 0.000 1.184) 4.762 6.967 ( -9.498 0.000 -0.592) 9.517 7.254 ( -2.325 0.000 2.710) 3.571 7.420 ( -2.055 0.000 -6.047) 6.387 7.434 ( -3.434 0.000 -2.442) 4.214 10.843 ( -1.787 0.000 0.713) 1.924 11.042 ( 2.673 0.000 -0.252) 2.685 11.158 ( -1.856 0.000 0.003) 1.856 11.249 ( -0.011 0.000 -1.337) 1.337 11.299 ( -2.961 0.000 -2.116) 3.639 11.362 ( 4.742 0.000 -2.992) 5.607 11.683 ( 0.547 0.000 7.225) 7.245 11.921 ( 4.532 0.000 -8.178) 9.350 12.800 ( -15.351 0.000 11.153) 18.975 13.572 ( 7.658 0.000 -4.340) 8.802 13.850 ( -0.786 0.000 0.284) 0.835 13.885 ( -0.030 0.000 -1.344) 1.345 ======================= Grid point 197 (89/160) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -10.391 0.000 16.048) 19.118 0.796 ( -17.314 0.000 8.005) 19.075 1.154 ( 6.908 0.000 -18.557) 19.801 1.367 ( -35.063 0.000 5.899) 35.555 1.461 ( -5.469 0.000 -2.192) 5.892 1.478 ( -15.745 0.000 -1.405) 15.808 1.657 ( 4.197 0.000 8.917) 9.855 1.968 ( 13.104 0.000 -10.910) 17.051 2.038 ( 1.753 0.000 2.808) 3.310 2.315 ( 11.085 0.000 14.215) 18.026 2.435 ( 15.771 0.000 7.203) 17.338 2.553 ( 6.283 0.000 5.468) 8.329 2.665 ( -2.449 0.000 -4.197) 4.859 2.881 ( 2.673 0.000 -1.587) 3.109 2.956 ( 9.358 0.000 7.074) 11.731 3.093 ( 3.488 0.000 10.545) 11.107 3.262 ( 9.577 0.000 -0.231) 9.580 3.421 ( -2.245 0.000 6.046) 6.449 3.492 ( 5.827 0.000 -12.940) 14.191 3.573 ( -6.049 0.000 1.025) 6.135 3.708 ( -13.031 0.000 5.504) 14.145 3.762 ( 4.921 0.000 -11.944) 12.918 3.966 ( 5.941 0.000 7.972) 9.942 4.007 ( -10.283 0.000 -1.639) 10.413 4.147 ( 2.793 0.000 -2.959) 4.069 4.313 ( -1.222 0.000 0.264) 1.250 4.320 ( -5.120 0.000 -4.886) 7.077 4.529 ( -4.233 0.000 -5.016) 6.563 4.532 ( 1.737 0.000 -2.121) 2.742 4.812 ( -7.142 0.000 0.616) 7.169 4.957 ( -6.311 0.000 2.579) 6.818 5.021 ( 7.636 0.000 -1.518) 7.785 5.037 ( 1.569 0.000 0.378) 1.613 5.166 ( 1.816 0.000 -1.095) 2.120 5.308 ( 3.001 0.000 5.532) 6.293 5.680 ( 1.946 0.000 -0.169) 1.953 5.738 ( -2.687 0.000 1.764) 3.215 5.839 ( -0.669 0.000 2.047) 2.154 6.149 ( 2.796 0.000 2.543) 3.779 6.342 ( -0.805 0.000 -0.819) 1.148 6.380 ( 4.312 0.000 0.880) 4.401 6.436 ( 9.693 0.000 -1.113) 9.756 6.473 ( 7.201 0.000 1.299) 7.317 6.543 ( 6.638 0.000 -1.051) 6.721 6.833 ( -8.987 0.000 2.237) 9.262 7.198 ( -6.079 0.000 -0.964) 6.155 7.236 ( -9.651 0.000 -12.315) 15.647 7.339 ( -5.199 0.000 -2.067) 5.595 10.842 ( -0.749 0.000 2.313) 2.431 11.058 ( 0.964 0.000 -2.518) 2.696 11.145 ( -0.303 0.000 2.311) 2.331 11.224 ( -3.225 0.000 -1.543) 3.575 11.245 ( 1.011 0.000 -0.168) 1.025 11.420 ( 7.730 0.000 -5.121) 9.272 11.805 ( 5.241 0.000 6.907) 8.670 11.829 ( -1.217 0.000 -11.005) 11.072 12.762 ( -10.817 0.000 18.359) 21.309 13.592 ( 2.226 0.000 -9.062) 9.332 13.838 ( -2.747 0.000 -2.705) 3.855 13.843 ( -0.708 0.000 0.526) 0.882 ======================= Grid point 198 (90/160) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.680 ( -10.208 0.000 18.924) 21.501 0.703 ( -11.180 0.000 17.571) 20.826 1.054 ( -15.176 0.000 28.037) 31.880 1.095 ( 7.518 0.000 -12.805) 14.849 1.249 ( -9.338 0.000 -1.553) 9.466 1.348 ( -2.285 0.000 -4.055) 4.655 1.663 ( 0.158 0.000 -12.720) 12.721 2.089 ( 1.010 0.000 0.211) 1.032 2.090 ( 12.244 0.000 -8.341) 14.815 2.420 ( 5.055 0.000 -12.398) 13.388 2.724 ( 4.145 0.000 14.170) 14.764 2.799 ( 5.502 0.000 9.584) 11.051 2.808 ( 10.368 0.000 11.001) 15.117 2.860 ( -5.511 0.000 -2.447) 6.030 3.183 ( 8.654 0.000 8.169) 11.900 3.195 ( -1.357 0.000 -5.469) 5.635 3.328 ( -2.545 0.000 10.698) 10.997 3.337 ( -14.301 0.000 -5.161) 15.203 3.421 ( -3.199 0.000 0.624) 3.259 3.488 ( 14.338 0.000 -11.994) 18.693 3.592 ( -13.842 0.000 7.659) 15.819 3.774 ( 15.255 0.000 -6.890) 16.739 3.865 ( -5.526 0.000 3.737) 6.671 4.146 ( 7.511 0.000 -1.574) 7.674 4.185 ( -2.883 0.000 -4.606) 5.434 4.207 ( 5.153 0.000 -4.049) 6.554 4.324 ( 2.400 0.000 1.271) 2.715 4.448 ( -0.823 0.000 0.032) 0.823 4.552 ( 1.996 0.000 -2.141) 2.927 4.772 ( -2.588 0.000 7.632) 8.058 4.949 ( -1.069 0.000 5.808) 5.906 4.982 ( -7.744 0.000 -6.613) 10.184 5.089 ( 3.343 0.000 -1.612) 3.711 5.120 ( -2.744 0.000 -1.095) 2.955 5.396 ( -0.167 0.000 6.267) 6.269 5.700 ( 3.669 0.000 -4.544) 5.841 5.730 ( -1.210 0.000 2.174) 2.488 5.824 ( -2.077 0.000 0.956) 2.286 6.249 ( -1.834 0.000 -0.966) 2.073 6.392 ( 10.582 0.000 2.678) 10.915 6.413 ( 0.920 0.000 -2.156) 2.344 6.544 ( 4.989 0.000 -1.876) 5.330 6.590 ( 4.824 0.000 0.187) 4.828 6.668 ( 10.888 0.000 -2.595) 11.193 6.694 ( -11.515 0.000 3.984) 12.184 6.940 ( -10.043 0.000 -0.074) 10.043 7.053 ( -7.353 0.000 -4.583) 8.664 7.230 ( -6.194 0.000 -1.619) 6.402 10.839 ( -2.063 0.000 0.772) 2.203 11.023 ( -0.014 0.000 -4.756) 4.756 11.175 ( -2.068 0.000 0.392) 2.105 11.231 ( 5.082 0.000 4.811) 6.999 11.274 ( 1.754 0.000 0.834) 1.942 11.453 ( 5.131 0.000 -10.572) 11.751 11.740 ( 2.734 0.000 -2.827) 3.933 11.950 ( 2.865 0.000 1.003) 3.036 12.810 ( -9.791 0.000 19.080) 21.446 13.428 ( -3.217 0.000 -11.154) 11.609 13.795 ( -0.988 0.000 0.906) 1.340 13.838 ( -0.623 0.000 0.455) 0.772 ======================= Grid point 199 (91/160) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.455 6.810 11.239) 13.149 0.956 ( 1.565 9.265 16.319) 18.831 1.090 ( 7.537 -1.659 -9.784) 12.461 1.157 ( 0.831 0.463 0.888) 1.301 1.299 ( -0.833 1.859 0.536) 2.106 1.634 ( 0.140 12.635 -9.579) 15.856 1.664 ( 5.219 17.485 16.112) 24.343 1.984 ( -0.591 -5.202 -4.474) 6.886 2.116 ( -3.293 3.013 -0.318) 4.475 2.374 ( -7.246 -8.971 2.790) 11.864 2.617 ( 9.170 -3.241 -1.664) 9.867 2.638 ( -5.439 -5.449 3.503) 8.458 2.724 ( -12.873 -1.278 -12.728) 18.148 2.935 ( 4.525 -13.428 -6.677) 15.664 3.097 ( -2.338 -3.808 7.207) 8.480 3.148 ( -6.140 -1.888 8.650) 10.774 3.292 ( 3.938 -6.627 15.912) 17.681 3.401 ( 4.811 1.662 -2.199) 5.545 3.458 ( -0.614 -2.323 -3.749) 4.453 3.591 ( -11.256 11.880 7.645) 18.063 3.696 ( 3.955 5.037 7.329) 9.733 3.866 ( 13.516 0.439 -8.009) 15.716 3.870 ( -1.196 -8.493 1.391) 8.689 4.082 ( -1.083 -1.755 -5.177) 5.572 4.156 ( 0.069 -3.136 -1.327) 3.405 4.202 ( -2.760 5.381 -5.517) 8.186 4.368 ( 7.571 5.757 0.003) 9.512 4.565 ( 1.849 3.917 2.747) 5.129 4.594 ( 2.686 3.958 -5.490) 7.282 4.673 ( -8.962 2.461 -0.580) 9.311 4.954 ( 1.112 2.385 4.648) 5.341 5.040 ( -0.947 0.640 2.445) 2.699 5.108 ( 0.689 2.642 -0.514) 2.778 5.153 ( 1.956 3.414 -2.811) 4.836 5.401 ( -1.927 -5.801 5.769) 8.405 5.660 ( 2.958 -4.904 -4.785) 7.463 5.706 ( -1.537 -2.036 -0.897) 2.704 5.819 ( 1.835 0.882 -2.371) 3.126 6.141 ( -4.360 -1.743 3.167) 5.663 6.362 ( -2.567 -0.166 -4.656) 5.320 6.431 ( -1.584 -4.904 1.500) 5.367 6.496 ( -0.804 -5.868 -0.559) 5.949 6.560 ( -1.067 -3.597 2.923) 4.756 6.664 ( -0.918 -4.267 -2.480) 5.020 6.756 ( -3.176 4.303 5.932) 7.987 6.983 ( 11.119 1.338 -3.434) 11.714 7.091 ( 5.844 4.906 -1.396) 7.757 7.144 ( -5.123 3.929 -2.740) 7.014 10.796 ( -0.369 -0.956 1.303) 1.658 10.950 ( 1.104 -1.917 -5.337) 5.778 11.179 ( -1.780 1.785 1.397) 2.882 11.277 ( 1.895 -0.788 1.537) 2.564 11.360 ( -1.617 -0.365 -4.198) 4.513 11.401 ( 2.164 3.085 -2.377) 4.455 11.816 ( 10.151 -2.878 0.661) 10.572 11.854 ( -11.789 0.991 -2.635) 12.121 12.881 ( -7.628 3.138 17.766) 19.588 13.427 ( 8.083 1.615 -11.245) 13.942 13.813 ( 0.640 0.530 1.089) 1.370 13.835 ( -0.496 0.171 0.043) 0.526 ======================= Grid point 200 (92/160) ======================= q-point: ( 0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 8.895 5.136 4.031) 11.034 1.130 ( 6.227 0.021 0.659) 6.262 1.145 ( 7.270 4.273 0.264) 8.437 1.223 ( 3.102 0.605 0.224) 3.168 1.280 ( 1.669 6.060 0.536) 6.309 1.487 ( -1.337 8.496 -10.687) 13.718 1.805 ( -2.708 1.447 3.743) 4.842 1.916 ( -3.355 2.866 -1.821) 4.773 2.114 ( -6.693 -0.569 2.505) 7.169 2.383 ( -7.380 3.756 -10.159) 13.106 2.398 ( 3.651 -1.562 15.113) 15.626 2.660 ( -1.467 -11.340 8.042) 13.979 2.741 ( 3.259 1.002 0.064) 3.410 2.927 ( 5.159 -11.473 -7.523) 14.658 3.109 ( -6.573 -5.426 7.696) 11.484 3.171 ( 1.489 3.942 4.120) 5.893 3.309 ( -4.383 -1.106 -7.298) 8.585 3.379 ( -6.133 -3.415 3.628) 7.902 3.440 ( -7.739 5.015 0.027) 9.222 3.538 ( -4.175 -7.736 5.851) 10.560 3.738 ( -4.182 -3.139 -8.105) 9.645 3.843 ( -2.013 3.753 9.698) 10.592 3.933 ( 0.837 -4.398 6.951) 8.268 4.071 ( 2.274 5.556 -7.319) 9.466 4.117 ( 4.053 -5.416 -4.201) 7.963 4.180 ( 4.242 10.621 -2.031) 11.616 4.442 ( -2.161 8.242 -11.969) 14.692 4.506 ( 7.091 4.753 1.315) 8.637 4.579 ( -0.917 2.438 -0.245) 2.616 4.742 ( 8.282 2.036 4.561) 9.672 5.004 ( -3.535 0.736 0.228) 3.618 5.020 ( -0.561 -1.264 2.793) 3.117 5.113 ( -0.744 2.245 -0.316) 2.386 5.167 ( 3.715 4.027 -3.740) 6.633 5.436 ( -2.268 -5.020 6.611) 8.605 5.605 ( 0.483 -8.045 -7.821) 11.230 5.729 ( 0.839 -0.793 3.332) 3.526 5.816 ( 2.488 0.239 -3.925) 4.654 6.172 ( -1.217 -1.737 9.076) 9.321 6.286 ( -0.099 -0.666 -3.602) 3.664 6.401 ( -4.104 -4.635 1.561) 6.385 6.443 ( -5.412 -4.047 -0.311) 6.765 6.492 ( -9.020 -0.447 2.944) 9.499 6.568 ( -7.550 -2.159 -1.437) 7.983 6.857 ( 7.295 -0.351 3.885) 8.272 7.046 ( -0.618 5.651 -4.460) 7.225 7.103 ( 10.277 1.000 -5.059) 11.498 7.221 ( 8.507 2.179 -1.011) 8.839 10.820 ( 0.689 -0.112 2.549) 2.642 10.906 ( 1.044 -1.731 -5.116) 5.501 11.182 ( -0.643 1.090 2.405) 2.718 11.273 ( 0.066 -1.078 -3.198) 3.376 11.320 ( -2.010 0.762 0.275) 2.167 11.417 ( 2.337 3.156 -1.645) 4.258 11.658 ( -9.795 1.281 0.293) 9.883 11.966 ( 6.366 -0.518 -0.174) 6.390 12.952 ( -4.961 2.497 16.013) 16.949 13.416 ( 6.368 -2.324 -12.705) 14.401 13.829 ( -0.001 0.082 -0.340) 0.350 13.839 ( 1.174 0.270 0.582) 1.338 ======================= Grid point 201 (93/160) ======================= q-point: ( 0.20 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -4.304 2.322 -6.897) 8.455 1.178 ( 1.654 0.075 -8.940) 9.092 1.253 ( 10.529 0.641 -7.894) 13.176 1.291 ( 5.738 4.727 8.123) 11.011 1.370 ( 3.601 9.343 7.357) 12.425 1.498 ( 5.825 5.462 0.596) 8.008 1.787 ( -1.609 -2.740 3.476) 4.709 1.818 ( -0.007 3.046 -6.843) 7.490 2.017 ( -4.060 -3.925 -0.849) 5.711 2.316 ( 4.386 4.558 1.652) 6.538 2.527 ( -6.244 -4.466 0.256) 7.681 2.668 ( -14.186 4.040 4.212) 15.339 2.727 ( -4.151 -6.951 6.341) 10.283 2.971 ( 5.692 -9.787 -2.750) 11.651 3.021 ( -5.369 -10.452 -0.514) 11.762 3.188 ( -10.619 2.884 -4.331) 11.825 3.221 ( -4.422 -4.457 1.806) 6.533 3.281 ( 6.929 2.451 3.223) 8.026 3.409 ( 0.029 -2.867 1.060) 3.056 3.506 ( 0.259 4.519 3.647) 5.813 3.621 ( 0.336 -5.184 -8.739) 10.166 3.889 ( -4.471 3.945 4.728) 7.610 3.978 ( -6.280 2.455 -1.292) 6.865 4.049 ( 2.778 -3.873 7.617) 8.985 4.129 ( 2.879 -5.298 -3.312) 6.880 4.225 ( 2.418 3.771 -7.147) 8.435 4.342 ( 5.403 10.677 -5.634) 13.226 4.564 ( 3.916 -1.066 -2.272) 4.652 4.648 ( 3.959 5.162 1.387) 6.652 4.867 ( -2.850 0.558 0.106) 2.907 4.919 ( -0.659 -2.746 1.723) 3.308 5.044 ( -0.859 6.352 0.963) 6.482 5.100 ( -0.808 2.161 2.775) 3.609 5.157 ( 1.741 6.220 -5.576) 8.533 5.429 ( -5.620 -8.915 0.487) 10.550 5.550 ( 0.878 -4.260 -1.590) 4.631 5.775 ( 0.902 -1.387 0.719) 1.804 5.839 ( 4.321 -0.471 0.108) 4.348 6.240 ( 0.321 -2.381 3.738) 4.444 6.297 ( -2.685 -3.637 -0.556) 4.555 6.320 ( -0.892 1.835 1.217) 2.376 6.366 ( -6.452 -2.155 2.973) 7.424 6.382 ( -7.969 1.275 2.126) 8.345 6.432 ( -7.796 -1.370 0.027) 7.915 6.982 ( 5.699 0.849 -1.636) 5.989 7.069 ( 6.888 2.584 0.428) 7.370 7.210 ( 9.029 0.791 -2.925) 9.524 7.315 ( 4.831 1.622 -0.942) 5.182 10.864 ( 0.966 -0.681 1.717) 2.084 10.886 ( 1.745 -1.717 -1.433) 2.837 11.205 ( 0.238 1.367 2.108) 2.524 11.247 ( -0.320 -0.148 -1.317) 1.364 11.276 ( -1.579 0.418 -2.365) 2.874 11.418 ( -0.108 4.216 -1.408) 4.446 11.574 ( -3.795 2.318 3.612) 5.729 11.979 ( -3.461 4.782 -0.998) 5.987 13.089 ( 2.110 -4.678 11.779) 12.848 13.359 ( 3.556 -4.364 -11.401) 12.715 13.827 ( 0.432 0.101 -0.492) 0.663 13.859 ( 0.897 0.056 0.045) 0.900 ======================= Grid point 202 (94/160) ======================= q-point: ( 0.30 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -7.077 4.277 3.359) 8.925 1.100 ( 2.809 1.484 -8.319) 8.905 1.314 ( 3.471 9.426 -10.714) 14.687 1.430 ( 2.430 3.405 4.966) 6.493 1.471 ( 6.128 5.371 4.308) 9.217 1.603 ( 3.949 -0.559 4.749) 6.201 1.850 ( 5.704 -1.491 -1.889) 6.191 1.868 ( 3.423 -1.342 5.975) 7.016 2.009 ( 4.409 -4.864 1.403) 6.713 2.268 ( -14.225 -2.552 -6.510) 15.850 2.383 ( -12.452 0.584 1.681) 12.579 2.488 ( 3.112 9.171 -1.462) 9.794 2.714 ( -1.642 -10.073 -0.457) 10.216 2.926 ( -0.632 -7.917 -0.033) 7.942 2.978 ( -5.616 0.465 -3.863) 6.832 3.037 ( -1.772 -2.871 -7.028) 7.796 3.157 ( -6.487 -2.630 0.247) 7.004 3.360 ( -0.443 3.741 2.985) 4.806 3.487 ( 4.784 -3.501 5.796) 8.291 3.510 ( 3.131 -7.140 -11.456) 13.857 3.653 ( 0.353 2.547 6.436) 6.930 3.818 ( -4.469 0.971 -0.744) 4.634 3.914 ( -0.078 -2.422 1.057) 2.644 4.068 ( 2.661 -1.327 -10.952) 11.348 4.169 ( 0.783 -6.207 2.522) 6.746 4.233 ( 3.679 -5.151 4.400) 7.709 4.392 ( 3.407 4.904 -2.135) 6.341 4.595 ( -1.413 -0.549 0.915) 1.771 4.670 ( 2.670 4.149 -4.937) 6.980 4.757 ( -5.464 0.327 0.974) 5.560 4.945 ( -5.021 5.530 4.037) 8.491 5.019 ( 1.144 3.295 -1.555) 3.819 5.089 ( -2.589 -0.386 -3.549) 4.410 5.202 ( 6.267 9.239 3.244) 11.626 5.316 ( -4.469 -8.857 -2.592) 10.254 5.567 ( -0.405 0.682 2.223) 2.360 5.783 ( 0.521 -1.188 -0.352) 1.344 5.907 ( 1.882 0.121 -0.157) 1.892 6.220 ( -2.015 -2.020 -0.547) 2.905 6.268 ( -0.623 1.715 -1.499) 2.362 6.272 ( -6.500 -1.330 1.951) 6.915 6.302 ( -2.839 0.162 0.540) 2.894 6.351 ( -4.509 0.726 3.347) 5.662 6.373 ( -0.321 1.008 4.046) 4.182 7.044 ( 4.166 5.348 -1.716) 6.993 7.204 ( 8.574 -3.968 1.165) 9.519 7.323 ( 5.983 -0.862 -0.396) 6.058 7.361 ( 2.024 3.389 1.018) 4.076 10.874 ( 1.541 -2.557 -1.526) 3.353 10.932 ( 1.130 -0.024 3.173) 3.368 11.221 ( 0.225 0.556 -1.769) 1.868 11.232 ( 1.131 2.214 0.901) 2.644 11.255 ( -0.725 1.215 0.872) 1.662 11.400 ( 0.025 6.436 -1.052) 6.522 11.585 ( -2.180 1.858 5.865) 6.527 11.881 ( -6.298 6.926 -0.864) 9.401 13.202 ( 4.165 -11.331 -2.753) 12.382 13.314 ( 0.489 -5.431 -1.711) 5.715 13.834 ( 0.798 -0.128 0.021) 0.809 13.869 ( 0.421 -0.089 -0.168) 0.462 ======================= Grid point 203 (95/160) ======================= q-point: ( 0.40 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -3.935 5.940 15.690) 17.232 1.076 ( 4.630 2.779 -8.637) 10.186 1.258 ( 2.011 8.166 -1.639) 8.568 1.497 ( 1.394 -0.928 1.140) 2.026 1.626 ( 4.366 -0.894 2.132) 4.940 1.653 ( 1.078 2.104 0.213) 2.374 1.850 ( -4.799 3.560 2.250) 6.385 1.901 ( -5.751 3.581 2.174) 7.115 2.021 ( -5.019 -7.903 -3.829) 10.115 2.184 ( 7.876 -0.139 2.396) 8.234 2.304 ( 6.580 -2.241 -0.853) 7.004 2.521 ( 1.572 5.308 -4.940) 7.419 2.662 ( -1.448 -5.593 -1.726) 6.029 2.830 ( -3.584 -1.460 -8.247) 9.110 2.923 ( 0.523 3.220 -7.561) 8.234 2.952 ( -7.091 -2.732 -0.213) 7.602 3.060 ( -1.619 -2.002 5.064) 5.681 3.415 ( 0.730 -6.871 -8.346) 10.835 3.428 ( 0.391 -2.161 7.029) 7.364 3.529 ( -1.465 -2.194 -2.022) 3.324 3.670 ( -2.236 3.072 3.420) 5.112 3.800 ( 2.009 -5.657 -0.816) 6.059 3.928 ( 2.206 -1.204 -7.518) 7.927 4.026 ( 6.121 -8.257 -7.410) 12.671 4.185 ( -2.737 -12.001 2.731) 12.608 4.293 ( -6.913 0.177 0.997) 6.987 4.386 ( 0.354 -11.590 1.498) 11.691 4.539 ( -0.967 2.620 1.027) 2.976 4.722 ( 3.978 7.608 0.254) 8.589 4.746 ( 3.565 1.958 1.272) 4.261 4.886 ( -6.741 6.305 3.958) 10.043 4.991 ( -1.948 -0.678 -3.281) 3.876 5.036 ( 0.285 -0.756 -1.270) 1.505 5.221 ( -3.401 -3.348 -2.000) 5.175 5.383 ( 9.114 9.152 3.202) 13.307 5.575 ( -1.771 4.552 2.404) 5.444 5.784 ( -0.492 -0.164 0.478) 0.705 5.895 ( 0.515 1.333 -3.491) 3.772 6.175 ( -3.439 -2.721 -0.128) 4.387 6.210 ( -1.693 0.911 1.973) 2.755 6.257 ( -3.342 1.491 1.214) 3.856 6.271 ( -0.241 4.332 -0.544) 4.373 6.346 ( -2.011 -1.927 3.445) 4.430 6.411 ( 0.866 3.920 1.378) 4.244 7.078 ( 3.021 2.654 -1.323) 4.233 7.323 ( 0.753 -3.091 -2.861) 4.278 7.358 ( 3.821 -0.810 4.349) 5.846 7.442 ( 3.544 2.983 2.272) 5.159 10.890 ( 2.051 -1.489 -0.633) 2.612 10.967 ( -0.611 0.736 1.910) 2.136 11.225 ( -0.338 1.849 0.404) 1.923 11.255 ( 1.857 2.587 -1.061) 3.357 11.269 ( 1.854 1.810 2.316) 3.475 11.404 ( 0.926 8.001 0.143) 8.055 11.616 ( -3.374 0.376 7.513) 8.244 11.791 ( -3.744 4.886 -0.227) 6.160 13.209 ( 6.484 -11.307 -8.429) 15.522 13.282 ( -4.963 -8.483 -0.118) 9.828 13.848 ( 0.641 -0.856 0.223) 1.092 13.871 ( 0.002 -0.393 -0.079) 0.401 ======================= Grid point 204 (96/160) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -2.915 5.223 17.145) 18.158 1.078 ( 2.335 2.403 0.530) 3.392 1.288 ( -2.822 1.430 1.042) 3.331 1.465 ( 2.257 -4.616 -8.780) 10.173 1.642 ( 0.516 1.144 0.968) 1.585 1.672 ( -5.848 2.131 -4.724) 7.814 1.780 ( 7.112 4.234 1.341) 8.385 1.891 ( -5.410 0.166 3.004) 6.190 2.021 ( 6.323 2.108 2.503) 7.120 2.279 ( -0.356 4.820 1.438) 5.043 2.340 ( 6.206 1.164 -9.825) 11.679 2.535 ( -0.132 0.013 2.865) 2.869 2.634 ( -8.838 -2.480 0.281) 9.183 2.679 ( 1.182 -0.616 -3.811) 4.038 2.802 ( 1.644 -0.750 -8.550) 8.739 2.876 ( 0.327 1.024 -7.866) 7.940 3.146 ( -1.988 -4.869 10.596) 11.830 3.353 ( -6.571 -7.329 2.501) 10.156 3.477 ( 2.301 -0.692 -5.372) 5.885 3.493 ( 0.957 -1.927 2.127) 3.026 3.688 ( 0.785 -2.751 2.407) 3.738 3.788 ( -5.746 -1.654 -1.868) 6.265 3.883 ( 5.038 -1.463 -7.833) 9.428 3.993 ( 0.013 -3.811 -5.565) 6.745 4.155 ( 0.358 -15.120 0.138) 15.125 4.212 ( 1.451 -13.923 -1.087) 14.041 4.445 ( 2.376 -3.010 2.582) 4.622 4.544 ( -0.644 -7.036 -0.514) 7.084 4.756 ( -2.388 7.346 4.421) 8.900 4.858 ( 2.363 5.801 2.086) 6.602 4.867 ( 3.618 4.809 1.262) 6.149 4.933 ( -1.961 2.478 -2.085) 3.786 5.036 ( 1.602 -1.744 0.023) 2.369 5.122 ( -4.323 -2.431 -4.268) 6.543 5.534 ( 1.026 10.024 3.417) 10.640 5.575 ( 2.674 6.192 1.259) 6.861 5.780 ( -1.301 -1.256 0.743) 1.955 5.875 ( 2.604 0.746 -3.982) 4.816 6.140 ( -4.374 -0.198 3.212) 5.430 6.210 ( 0.045 3.304 -0.000) 3.305 6.235 ( -0.098 2.662 2.998) 4.010 6.289 ( 1.116 1.379 1.727) 2.476 6.342 ( -1.040 -0.423 0.819) 1.390 6.397 ( -1.646 5.095 -2.628) 5.964 7.132 ( 3.079 -0.514 2.367) 3.917 7.248 ( -5.127 -2.016 -2.708) 6.138 7.453 ( 1.895 0.521 2.683) 3.326 7.500 ( 1.953 1.827 0.552) 2.731 10.922 ( 0.876 0.348 0.796) 1.234 10.957 ( -0.409 1.005 -0.420) 1.163 11.211 ( -1.662 0.824 0.952) 2.085 11.271 ( 1.953 3.919 -1.924) 4.783 11.350 ( 2.300 2.680 3.132) 4.720 11.418 ( 1.487 8.509 -0.707) 8.667 11.633 ( -4.961 0.129 7.776) 9.225 11.776 ( 2.309 1.176 0.300) 2.609 13.129 ( -11.670 -9.302 -0.716) 14.941 13.269 ( 10.221 -10.494 -7.262) 16.350 13.858 ( 0.185 -1.074 0.210) 1.109 13.866 ( -0.158 -0.988 -0.326) 1.052 ======================= Grid point 205 (97/160) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -6.448 -0.829 12.447) 14.042 1.111 ( -9.369 1.362 -10.014) 13.780 1.164 ( 2.434 0.545 7.374) 7.784 1.427 ( -5.685 5.225 -1.711) 7.909 1.564 ( 6.656 -6.179 -4.518) 10.143 1.711 ( 0.240 4.686 7.074) 8.488 1.835 ( 2.443 0.914 -8.274) 8.675 1.907 ( 3.750 4.348 -1.587) 5.957 2.058 ( -1.358 2.724 -1.055) 3.221 2.341 ( 1.790 4.875 4.600) 6.938 2.397 ( 10.091 1.530 -0.163) 10.207 2.426 ( -10.847 4.308 -6.192) 13.212 2.538 ( -1.973 -1.459 3.368) 4.167 2.647 ( -6.850 0.999 -6.548) 9.528 2.784 ( 6.409 -2.299 0.086) 6.809 2.845 ( 5.795 -0.699 -3.702) 6.912 3.184 ( -9.208 -3.866 6.410) 11.867 3.274 ( -5.923 -5.627 8.948) 12.117 3.484 ( 2.871 -3.445 -5.388) 7.010 3.522 ( 4.104 -1.834 -0.864) 4.578 3.677 ( -3.163 -4.023 1.059) 5.226 3.748 ( 2.682 -3.104 0.680) 4.158 3.846 ( 1.664 -4.075 -3.719) 5.763 3.971 ( -0.631 -6.431 -4.300) 7.761 4.228 ( 6.747 -6.606 2.298) 9.718 4.285 ( 7.247 -14.303 -2.399) 16.212 4.474 ( -2.051 -6.291 -0.115) 6.618 4.523 ( 0.293 -1.486 -0.527) 1.603 4.782 ( -0.811 4.806 2.254) 5.370 4.807 ( -3.038 2.132 -1.391) 3.963 4.901 ( 0.718 5.697 -0.238) 5.747 4.972 ( -1.480 -0.206 0.395) 1.546 4.990 ( 1.357 2.896 -2.820) 4.264 5.128 ( 5.014 -0.809 1.885) 5.417 5.480 ( -6.843 11.028 -0.439) 12.986 5.666 ( 3.857 2.747 -1.021) 4.843 5.761 ( -0.928 -0.278 1.841) 2.081 5.880 ( 1.983 3.000 -3.738) 5.187 6.103 ( -2.761 -3.574 3.386) 5.644 6.239 ( -2.548 1.732 1.614) 3.478 6.267 ( 2.148 4.085 2.273) 5.144 6.323 ( 1.540 5.331 -1.213) 5.680 6.342 ( 1.581 0.229 1.373) 2.107 6.379 ( 2.607 0.548 0.744) 2.766 7.107 ( -8.322 -2.415 -2.262) 8.956 7.211 ( 1.477 -1.270 3.375) 3.897 7.468 ( -1.222 0.300 -0.858) 1.523 7.516 ( -0.145 2.474 -0.590) 2.548 10.894 ( -2.733 1.683 -0.744) 3.294 10.992 ( 3.049 -0.146 0.578) 3.107 11.197 ( -1.555 0.462 0.930) 1.870 11.273 ( 0.465 4.274 -1.390) 4.518 11.343 ( -2.113 2.901 -1.316) 3.823 11.458 ( 1.947 6.781 -0.743) 7.094 11.661 ( -0.417 3.733 7.428) 8.323 11.850 ( 6.364 -1.380 -1.427) 6.666 12.910 ( -15.341 -8.447 1.596) 17.585 13.375 ( 10.333 -10.208 -4.356) 15.164 13.850 ( -0.788 -1.037 -0.153) 1.311 13.871 ( 0.626 -1.169 0.067) 1.327 ======================= Grid point 206 (98/160) ======================= q-point: (-0.30 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -14.010 4.364 -5.492) 15.668 1.026 ( -8.496 1.968 4.182) 9.672 1.261 ( 3.137 0.901 -6.694) 7.447 1.321 ( -5.878 0.145 10.290) 11.851 1.630 ( -3.209 -3.266 1.037) 4.695 1.757 ( 4.412 3.816 -8.515) 10.321 1.783 ( -6.020 2.425 1.790) 6.733 1.965 ( 7.860 6.226 4.284) 10.904 2.058 ( -2.265 1.141 1.681) 3.043 2.144 ( -12.182 6.589 -6.301) 15.216 2.231 ( -2.691 2.821 -2.516) 4.640 2.494 ( 1.454 -1.698 -1.171) 2.523 2.691 ( 9.921 -0.921 5.427) 11.346 2.705 ( 7.792 -0.339 11.570) 13.954 2.810 ( 3.715 3.104 -5.650) 7.441 3.012 ( 5.899 -0.123 2.710) 6.493 3.056 ( -2.656 -4.768 1.652) 5.702 3.328 ( -2.160 -7.107 7.151) 10.311 3.429 ( -0.813 -5.895 -5.360) 8.008 3.600 ( 3.234 -0.349 2.901) 4.359 3.700 ( 4.175 -4.359 -0.466) 6.054 3.772 ( 1.239 -1.819 -2.387) 3.247 3.883 ( 1.649 -6.303 1.135) 6.613 3.914 ( 2.025 -4.764 -3.231) 6.103 4.289 ( -6.750 3.286 7.734) 10.778 4.342 ( 3.369 -10.757 -7.006) 13.272 4.409 ( -1.276 -8.585 -4.844) 9.939 4.507 ( -1.329 6.715 -1.201) 6.950 4.682 ( -4.215 0.835 -1.633) 4.597 4.861 ( -1.623 -3.545 -3.194) 5.040 4.915 ( 6.922 4.362 2.468) 8.546 4.966 ( 3.077 -1.782 3.691) 5.125 5.035 ( 2.024 5.996 -0.714) 6.368 5.215 ( 1.740 1.687 1.604) 2.907 5.327 ( -8.088 9.877 -2.789) 13.067 5.663 ( 0.074 -0.359 -1.996) 2.029 5.808 ( 1.644 1.315 1.457) 2.560 5.848 ( -0.531 5.803 -1.225) 5.954 6.150 ( 2.554 -9.754 3.438) 10.653 6.200 ( -2.577 2.977 0.906) 4.040 6.306 ( 4.523 1.264 -0.360) 4.710 6.368 ( -0.872 1.795 2.192) 2.965 6.402 ( 5.836 2.689 -0.391) 6.437 6.447 ( 4.414 -0.876 0.755) 4.563 6.951 ( -9.090 -1.365 0.270) 9.196 7.238 ( -2.220 -1.927 1.526) 3.312 7.400 ( -3.331 -1.154 -4.814) 5.967 7.476 ( -3.192 3.702 -1.880) 5.238 10.844 ( -2.195 0.642 -0.736) 2.402 11.035 ( 1.661 -1.378 -0.682) 2.263 11.172 ( -2.610 1.089 0.479) 2.868 11.259 ( -0.081 1.508 -0.633) 1.638 11.314 ( 0.612 5.148 -1.363) 5.361 11.447 ( -0.459 4.131 -1.786) 4.524 11.778 ( 5.535 10.030 5.345) 12.641 11.894 ( 4.107 -2.659 -7.928) 9.316 12.728 ( -14.367 -7.514 10.504) 19.319 13.479 ( 7.918 -9.466 -4.039) 12.985 13.836 ( -0.852 -1.004 -0.050) 1.318 13.878 ( 0.165 -0.718 -0.338) 0.811 ======================= Grid point 207 (99/160) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -9.451 7.854 10.876) 16.411 0.894 ( -14.547 8.685 7.032) 18.344 1.178 ( 5.453 2.322 -16.343) 17.384 1.320 ( -8.943 -7.312 3.372) 12.034 1.472 ( -16.037 3.475 0.274) 16.411 1.556 ( -14.382 10.488 2.065) 17.919 1.782 ( 5.096 7.356 -2.801) 9.377 1.992 ( 2.716 4.064 1.660) 5.162 2.083 ( 1.379 3.722 -0.809) 4.050 2.249 ( 2.855 -7.833 6.026) 10.287 2.317 ( 17.177 -4.151 6.319) 18.768 2.600 ( 5.781 0.725 9.504) 11.148 2.718 ( -0.583 3.949 -4.830) 6.266 2.829 ( 0.717 -4.403 1.709) 4.777 2.991 ( 3.010 1.931 7.305) 8.133 3.007 ( 6.109 -5.176 8.091) 11.383 3.222 ( 9.660 -2.996 -4.793) 11.192 3.296 ( 1.422 -12.459 -7.365) 14.543 3.417 ( -2.602 -2.352 6.378) 7.279 3.649 ( -3.833 4.614 2.909) 6.667 3.731 ( 3.703 -2.110 -8.740) 9.723 3.756 ( -1.675 0.527 1.774) 2.496 3.881 ( 3.856 -5.466 -1.637) 6.887 4.005 ( 6.306 -4.418 1.781) 7.903 4.185 ( -9.146 2.693 -2.510) 9.859 4.259 ( -4.874 -2.508 2.895) 6.199 4.347 ( 0.153 -2.939 -5.572) 6.301 4.493 ( -0.510 5.448 0.292) 5.480 4.638 ( -0.716 4.930 -0.386) 4.997 4.793 ( -3.788 -0.376 0.331) 3.820 4.985 ( -4.569 1.715 -1.715) 5.173 5.048 ( 5.103 3.810 0.463) 6.386 5.097 ( 5.164 0.683 1.747) 5.494 5.170 ( -3.028 3.887 1.601) 5.181 5.290 ( 0.864 -0.094 1.240) 1.514 5.650 ( 0.298 -2.456 -1.012) 2.673 5.791 ( -0.186 4.093 -2.130) 4.618 5.869 ( -1.408 1.813 1.248) 2.613 6.182 ( 2.553 1.173 2.557) 3.799 6.252 ( 2.456 -9.875 1.373) 10.268 6.351 ( 0.494 -0.761 0.302) 0.956 6.417 ( 7.124 -1.644 0.006) 7.311 6.483 ( 5.565 2.212 -1.103) 6.089 6.530 ( 6.597 -1.414 -1.232) 6.858 6.843 ( -8.280 0.885 4.704) 9.564 7.134 ( -9.150 -3.639 -6.103) 11.585 7.272 ( -5.529 1.039 -4.497) 7.202 7.380 ( -5.576 4.049 -2.413) 7.302 10.814 ( -1.380 -1.138 0.316) 1.816 11.012 ( -1.312 -3.524 -2.657) 4.605 11.161 ( 0.041 1.348 1.855) 2.294 11.251 ( -0.738 2.009 -0.979) 2.354 11.334 ( 3.096 7.218 -0.145) 7.855 11.432 ( 2.121 1.171 -3.021) 3.872 11.802 ( -1.144 -2.404 -10.900) 11.220 11.932 ( 7.025 11.001 3.220) 13.444 12.700 ( -9.534 -6.022 17.984) 21.227 13.516 ( 3.805 -7.003 -7.093) 10.669 13.819 ( -1.275 -0.471 -0.162) 1.369 13.864 ( -0.916 0.545 -0.811) 1.339 ======================= Grid point 208 (100/160) ======================= q-point: (-0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -9.607 4.166 14.641) 18.000 0.771 ( -6.673 8.395 15.229) 18.626 1.108 ( 7.171 1.291 -14.423) 16.159 1.195 ( -6.868 -0.212 2.022) 7.163 1.315 ( -8.692 4.737 6.442) 11.811 1.454 ( -4.820 21.616 11.228) 24.830 1.758 ( 1.833 7.624 -11.930) 14.276 2.030 ( 3.908 -4.081 -7.667) 9.524 2.138 ( 2.335 2.727 2.596) 4.430 2.363 ( 4.062 -10.989 2.298) 11.939 2.544 ( 5.345 -0.593 -4.481) 7.000 2.697 ( -1.416 -6.786 5.763) 9.015 2.830 ( 4.971 -9.098 10.847) 15.005 2.889 ( 0.526 0.365 8.712) 8.735 3.110 ( 2.432 -6.069 -5.041) 8.257 3.126 ( 2.287 -5.853 -1.719) 6.514 3.156 ( -6.095 -10.228 5.512) 13.120 3.325 ( 1.491 2.880 3.852) 5.035 3.454 ( 3.824 -2.392 0.738) 4.570 3.559 ( -2.000 8.934 -2.119) 9.397 3.717 ( 5.947 1.931 -5.652) 8.428 3.743 ( -2.424 3.285 1.964) 4.530 3.895 ( -2.722 0.487 0.433) 2.799 4.083 ( 1.060 -0.819 -1.308) 1.873 4.133 ( 5.575 -7.356 0.687) 9.256 4.267 ( 0.753 6.356 0.020) 6.400 4.317 ( 2.092 -1.029 -3.668) 4.346 4.483 ( -0.202 1.743 2.577) 3.118 4.635 ( -0.274 7.141 -0.386) 7.157 4.757 ( -4.155 0.022 4.036) 5.793 4.923 ( -1.636 0.617 1.472) 2.286 5.078 ( -5.503 7.186 -0.853) 9.091 5.103 ( 1.698 1.436 -0.292) 2.242 5.160 ( 0.581 2.537 -2.216) 3.418 5.354 ( 1.420 -5.374 4.701) 7.280 5.649 ( 0.992 -3.956 -0.917) 4.180 5.764 ( 0.214 2.066 -4.698) 5.136 5.824 ( -2.129 0.017 -0.174) 2.136 6.209 ( -3.132 -3.619 -1.361) 4.976 6.352 ( 8.833 -5.466 2.047) 10.587 6.407 ( 2.665 -2.532 0.366) 3.695 6.488 ( 3.453 -5.292 -0.968) 6.392 6.542 ( 1.973 0.092 -2.360) 3.078 6.640 ( 7.930 -2.685 -2.097) 8.631 6.772 ( -7.988 5.293 6.188) 11.407 6.910 ( -5.438 -0.144 -1.807) 5.732 7.135 ( -5.441 4.442 -3.967) 8.067 7.262 ( -6.259 3.372 -1.909) 7.361 10.800 ( -1.206 -1.959 0.632) 2.386 10.977 ( 0.644 -3.509 -2.798) 4.534 11.198 ( -0.098 0.877 1.971) 2.159 11.222 ( -0.103 2.636 0.538) 2.692 11.383 ( 2.440 5.998 -0.467) 6.492 11.429 ( 3.316 -1.944 -7.861) 8.750 11.709 ( 1.875 -2.368 -2.464) 3.898 12.007 ( -1.032 4.087 -2.241) 4.774 12.784 ( -6.216 -1.527 19.230) 20.267 13.453 ( 2.163 0.948 -9.949) 10.225 13.802 ( -0.651 0.655 0.657) 1.134 13.845 ( -0.894 0.523 0.049) 1.037 ======================= Grid point 209 (101/160) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 3.876 7.430 2.045) 8.627 1.080 ( 3.994 -0.027 -5.820) 7.059 1.101 ( 3.784 7.335 8.527) 11.867 1.216 ( 2.409 4.946 0.093) 5.502 1.340 ( -0.508 2.384 0.212) 2.447 1.745 ( 1.314 -0.750 -14.231) 14.311 1.861 ( -1.136 -4.264 0.151) 4.415 2.074 ( -4.962 9.833 -3.476) 11.549 2.191 ( 8.160 7.345 12.198) 16.411 2.311 ( -14.413 7.340 13.860) 21.301 2.420 ( -3.152 -7.586 2.503) 8.588 2.603 ( -6.061 -10.009 -4.355) 12.485 2.667 ( 1.142 -1.778 -3.175) 3.814 2.847 ( 6.116 2.233 -5.370) 8.440 2.894 ( -0.360 -4.178 3.542) 5.489 3.138 ( 0.427 -8.363 14.149) 16.441 3.235 ( 2.927 0.237 -2.647) 3.954 3.294 ( 0.319 -2.756 1.214) 3.028 3.500 ( -5.279 0.127 -4.283) 6.799 3.692 ( 1.966 -4.802 -3.125) 6.057 3.746 ( 0.931 3.948 2.292) 4.660 3.834 ( -1.936 4.458 6.953) 8.483 3.932 ( 7.952 -4.568 -2.751) 9.575 4.003 ( -5.108 11.061 1.920) 12.334 4.233 ( 1.546 6.938 0.203) 7.111 4.356 ( 1.123 6.427 -3.650) 7.476 4.471 ( 6.329 3.883 3.632) 8.266 4.565 ( 4.141 -0.096 7.868) 8.892 4.654 ( -6.083 0.935 -1.744) 6.397 4.726 ( -2.940 2.445 -1.230) 4.017 5.005 ( -0.999 -0.825 -0.700) 1.473 5.025 ( 0.624 -0.486 0.189) 0.813 5.178 ( -1.246 -5.243 2.832) 6.087 5.196 ( 0.941 5.713 -2.090) 6.156 5.276 ( 0.558 -0.737 -0.989) 1.354 5.480 ( 0.090 -13.199 -8.194) 15.536 5.696 ( -0.642 0.768 2.428) 2.626 5.849 ( 1.753 1.846 -3.159) 4.057 6.093 ( -2.801 -2.833 2.484) 4.695 6.293 ( 3.052 -7.227 -1.094) 7.921 6.362 ( -2.502 -1.096 -2.719) 3.854 6.397 ( -2.127 -3.688 -0.589) 4.298 6.519 ( -1.527 -1.406 1.221) 2.408 6.579 ( -0.759 -4.293 -2.004) 4.798 6.819 ( -2.557 2.093 5.155) 6.123 6.995 ( 6.758 -0.315 -2.993) 7.398 7.173 ( 2.657 4.312 0.410) 5.082 7.239 ( -2.398 4.732 -2.264) 5.768 10.802 ( 0.952 1.549 0.473) 1.879 10.918 ( 1.167 -1.021 -3.525) 3.851 11.223 ( -2.338 2.691 0.595) 3.614 11.276 ( 0.253 0.605 0.328) 0.733 11.348 ( 0.287 -0.828 -1.814) 2.015 11.450 ( 1.170 1.982 -2.432) 3.348 11.751 ( 8.896 -3.685 1.211) 9.705 11.833 ( -9.998 -3.517 -4.870) 11.663 12.979 ( -3.489 7.099 15.228) 17.160 13.435 ( 3.487 -1.014 -8.467) 9.212 13.824 ( 0.567 0.538 0.545) 0.953 13.838 ( -0.545 0.127 0.035) 0.561 ======================= Grid point 210 (102/160) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 6.677 3.634 -0.590) 7.625 1.104 ( 7.611 -0.182 -9.331) 12.043 1.232 ( 6.311 1.982 2.335) 7.015 1.253 ( 3.990 3.524 -1.826) 5.628 1.393 ( 1.968 3.863 8.062) 9.154 1.597 ( 1.712 3.013 -13.690) 14.122 1.873 ( -5.574 1.915 2.696) 6.481 1.919 ( -3.920 0.314 -0.505) 3.965 2.183 ( -14.418 4.397 10.396) 18.311 2.326 ( -10.816 -6.021 -0.619) 12.394 2.444 ( 0.011 4.950 3.917) 6.313 2.549 ( 8.999 2.269 7.961) 12.227 2.708 ( 6.411 -7.418 -4.388) 10.742 2.836 ( -1.528 4.546 -4.338) 6.467 2.974 ( -1.279 -7.382 8.494) 11.326 3.149 ( -1.268 -12.419 -8.920) 15.343 3.208 ( -6.720 -0.840 5.764) 8.893 3.377 ( -0.444 2.906 1.737) 3.415 3.421 ( 2.412 -0.418 3.635) 4.383 3.514 ( -10.514 -2.245 -9.488) 14.339 3.749 ( -3.231 4.700 4.098) 7.023 3.880 ( -3.724 2.343 3.334) 5.520 3.931 ( 2.737 -0.703 2.084) 3.511 4.077 ( 0.495 3.258 -3.107) 4.530 4.172 ( -3.323 7.289 0.326) 8.018 4.379 ( 3.354 5.539 -2.276) 6.864 4.553 ( -1.093 3.627 -5.714) 6.855 4.606 ( 0.603 6.163 -0.272) 6.198 4.627 ( -0.709 1.761 1.494) 2.416 4.732 ( 5.947 -2.361 5.351) 8.341 4.952 ( -4.025 -1.771 0.196) 4.402 5.066 ( 2.347 -1.725 2.153) 3.622 5.168 ( 0.116 4.894 -1.365) 5.082 5.246 ( 5.306 3.265 -1.557) 6.422 5.288 ( -1.834 -9.576 1.486) 9.863 5.397 ( 1.947 -10.921 -5.463) 12.365 5.746 ( 1.331 2.093 3.713) 4.465 5.830 ( 2.082 1.271 -5.893) 6.377 6.114 ( -1.907 -4.182 7.465) 8.766 6.247 ( -0.194 -4.156 -4.931) 6.452 6.333 ( -2.457 -2.051 -0.145) 3.203 6.367 ( -1.529 -2.534 2.283) 3.738 6.484 ( -5.872 -1.460 2.797) 6.666 6.509 ( -4.458 -2.296 -2.256) 5.499 6.866 ( 3.440 1.075 2.246) 4.247 7.079 ( 7.382 -2.592 -2.423) 8.191 7.175 ( 1.057 6.508 -3.068) 7.272 7.284 ( 6.568 3.547 -0.103) 7.466 10.835 ( 1.668 1.632 1.509) 2.779 10.884 ( 0.759 -0.269 -4.881) 4.947 11.207 ( -1.139 1.568 2.021) 2.800 11.268 ( -0.410 0.658 -0.437) 0.890 11.338 ( -1.819 0.907 -0.010) 2.033 11.460 ( 3.048 0.625 -3.312) 4.544 11.663 ( -5.406 -0.468 -1.350) 5.592 11.930 ( 10.315 -3.693 1.400) 11.046 13.026 ( -8.989 5.079 12.364) 16.108 13.365 ( -0.008 -2.912 -8.916) 9.379 13.831 ( -0.004 0.200 -0.198) 0.281 13.844 ( 0.917 0.208 0.373) 1.011 ======================= Grid point 211 (103/160) ======================= q-point: ( 0.20 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -3.898 3.294 -5.434) 7.455 1.146 ( 10.150 -3.410 -7.192) 12.899 1.263 ( 4.278 2.235 -7.700) 9.088 1.412 ( 9.879 6.855 3.301) 12.470 1.514 ( 2.365 2.660 8.189) 8.929 1.598 ( 9.389 4.135 -5.742) 11.757 1.779 ( -3.775 3.548 2.837) 5.906 1.920 ( -5.877 -1.535 8.873) 10.753 1.988 ( -10.706 8.115 -5.795) 14.631 2.294 ( -0.750 -5.893 8.294) 10.202 2.427 ( -3.437 -1.999 -0.690) 4.036 2.665 ( -10.901 -1.024 0.803) 10.979 2.735 ( 5.161 -1.772 -4.439) 7.035 2.843 ( 6.296 -2.777 7.520) 10.193 2.852 ( -14.540 -4.013 -6.192) 16.305 3.060 ( -3.120 -9.952 3.407) 10.972 3.178 ( -4.143 -5.971 0.106) 7.268 3.290 ( -1.816 0.476 -6.946) 7.195 3.413 ( 5.010 5.284 -2.190) 7.604 3.555 ( 1.454 0.259 10.966) 11.065 3.637 ( -8.153 4.690 -5.046) 10.674 3.915 ( 1.597 -3.144 0.059) 3.527 3.953 ( -4.650 -1.204 0.979) 4.902 4.016 ( 3.647 -3.329 -2.322) 5.457 4.104 ( -6.669 5.656 -2.512) 9.098 4.301 ( -5.687 3.762 -8.088) 10.578 4.479 ( -1.941 0.901 0.350) 2.168 4.615 ( 2.261 4.063 0.625) 4.691 4.698 ( 1.132 2.703 2.492) 3.846 4.835 ( 0.706 -3.116 0.509) 3.236 4.914 ( 2.702 2.860 -1.149) 4.099 5.079 ( -3.676 -6.381 -0.783) 7.405 5.183 ( 0.074 4.337 -0.083) 4.339 5.230 ( -2.222 -3.803 3.148) 5.414 5.303 ( 5.034 5.056 -3.290) 7.857 5.458 ( 5.558 -4.483 1.312) 7.261 5.794 ( 1.045 2.873 1.193) 3.281 5.823 ( 2.935 -0.357 -0.589) 3.015 6.167 ( -3.479 -7.638 -4.078) 9.332 6.176 ( 0.608 -4.505 5.032) 6.781 6.329 ( -0.095 -0.151 1.364) 1.375 6.373 ( -1.492 0.906 2.214) 2.819 6.409 ( -4.520 -0.279 -0.443) 4.550 6.426 ( -4.972 2.283 2.613) 6.063 6.964 ( 7.041 -1.228 1.062) 7.225 7.161 ( 5.950 -0.314 -7.324) 9.441 7.193 ( 4.323 3.673 2.804) 6.328 7.377 ( 4.878 3.637 0.310) 6.093 10.851 ( 1.206 0.150 -3.220) 3.442 10.884 ( 1.993 0.982 1.707) 2.802 11.225 ( -0.108 0.407 2.798) 2.830 11.262 ( -0.825 1.467 -0.427) 1.736 11.293 ( -0.582 1.702 -1.527) 2.360 11.463 ( 1.246 0.511 -0.847) 1.591 11.641 ( 0.704 4.361 1.022) 4.534 12.059 ( 3.282 2.084 1.031) 4.022 12.989 ( -6.489 -4.574 4.655) 9.203 13.258 ( -3.347 -5.851 -5.151) 8.483 13.830 ( 0.239 0.250 -0.315) 0.468 13.859 ( 0.528 -0.124 0.141) 0.561 ======================= Grid point 212 (104/160) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -4.190 6.840 4.770) 9.332 1.163 ( 5.042 4.353 -9.265) 11.411 1.365 ( 11.002 -2.672 -1.185) 11.384 1.524 ( -0.945 6.745 4.249) 8.028 1.621 ( 3.490 7.646 -9.546) 12.719 1.632 ( 3.815 1.994 0.846) 4.387 1.810 ( -0.524 -2.496 4.667) 5.319 1.887 ( 3.675 4.896 2.634) 6.664 1.965 ( 3.523 -1.194 5.772) 6.866 2.209 ( -9.886 -3.067 -8.755) 13.556 2.383 ( -9.024 -0.951 1.041) 9.134 2.531 ( -5.882 -5.757 6.000) 10.185 2.624 ( -5.365 4.132 3.899) 7.814 2.744 ( -0.643 -8.191 -1.021) 8.280 2.981 ( 2.275 -1.169 -0.189) 2.565 3.031 ( -2.068 -4.751 -1.747) 5.468 3.083 ( -3.378 0.502 -1.344) 3.670 3.279 ( 1.787 -9.278 -1.534) 9.572 3.450 ( -5.777 -0.641 -3.871) 6.983 3.471 ( 2.315 2.613 -1.255) 3.709 3.641 ( -3.358 -4.089 6.234) 8.177 3.850 ( -3.542 -1.833 -1.975) 4.450 3.915 ( -0.593 3.147 -9.360) 9.893 3.965 ( 2.303 -7.458 -6.938) 10.444 4.073 ( 0.773 -5.548 -1.133) 5.715 4.129 ( -4.832 0.079 -3.039) 5.709 4.429 ( -6.242 -1.521 0.651) 6.458 4.626 ( -5.006 -3.103 2.238) 6.300 4.717 ( -0.907 3.165 1.094) 3.469 4.839 ( 5.868 8.521 -5.331) 11.639 4.910 ( -3.915 -8.382 1.338) 9.348 5.051 ( 0.204 4.365 2.937) 5.265 5.133 ( -3.026 4.114 -1.399) 5.295 5.256 ( -0.422 0.205 0.206) 0.512 5.384 ( 7.616 7.788 1.039) 10.942 5.558 ( 4.450 -0.864 2.086) 4.990 5.826 ( -0.605 5.313 2.569) 5.933 5.874 ( 2.087 -2.835 0.777) 3.605 6.087 ( 0.424 -7.981 -3.610) 8.770 6.238 ( 0.908 -2.820 3.204) 4.363 6.300 ( -4.795 1.276 0.976) 5.057 6.344 ( -4.295 -0.300 2.639) 5.050 6.383 ( 1.297 5.206 -0.019) 5.366 6.421 ( -0.242 3.041 2.895) 4.205 7.114 ( 8.737 -4.058 1.790) 9.798 7.148 ( 2.952 2.139 -6.267) 7.250 7.297 ( 4.139 1.014 1.825) 4.635 7.450 ( 2.842 4.477 2.337) 5.795 10.852 ( 2.100 0.392 -1.334) 2.518 10.935 ( 1.856 0.343 1.757) 2.579 11.238 ( 0.717 0.747 -0.679) 1.238 11.263 ( -0.360 0.487 4.234) 4.277 11.310 ( 1.362 4.985 1.181) 5.301 11.491 ( 3.043 3.056 -0.513) 4.344 11.656 ( -0.639 5.565 1.042) 5.698 12.047 ( -5.441 9.400 0.750) 10.887 12.938 ( 0.361 -15.439 -4.741) 16.154 13.158 ( -5.583 -10.266 -0.391) 11.692 13.832 ( 0.329 -0.089 -0.295) 0.450 13.863 ( -0.080 -0.506 -0.029) 0.513 ======================= Grid point 213 (105/160) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.272 8.948 13.488) 16.345 1.155 ( 5.349 5.224 -8.078) 11.007 1.395 ( -0.873 1.664 -7.718) 7.944 1.484 ( -3.689 3.753 1.267) 5.413 1.635 ( 2.812 -1.734 -5.652) 6.546 1.675 ( 5.698 3.197 0.534) 6.556 1.878 ( -2.805 -5.063 -0.194) 5.791 1.967 ( 0.790 3.008 -0.352) 3.130 1.977 ( -5.113 7.641 6.671) 11.359 2.184 ( 11.839 0.512 6.647) 13.587 2.269 ( 2.702 -1.581 -0.937) 3.268 2.522 ( -2.335 -4.383 -3.213) 5.914 2.640 ( -3.745 2.874 8.498) 9.722 2.747 ( -2.527 -11.604 6.050) 13.328 2.836 ( -7.285 0.938 -12.087) 14.144 2.988 ( -1.308 0.342 -2.744) 3.059 3.075 ( -1.294 0.586 1.596) 2.136 3.243 ( -1.219 -8.529 -3.372) 9.252 3.391 ( -1.821 -5.481 3.594) 6.802 3.465 ( 1.439 -0.372 -5.117) 5.329 3.608 ( -5.607 -6.087 2.506) 8.647 3.812 ( -1.672 -11.328 -0.413) 11.458 3.837 ( 6.910 -1.588 -12.806) 14.638 3.915 ( -2.027 1.351 -10.051) 10.342 3.986 ( 1.746 -7.589 -0.882) 7.837 4.149 ( 0.556 -8.119 0.615) 8.162 4.297 ( -8.057 -0.496 -0.602) 8.095 4.499 ( -8.028 -8.879 -2.610) 12.252 4.732 ( 1.239 -0.718 1.704) 2.226 4.850 ( 0.301 3.848 -0.542) 3.897 4.955 ( 3.649 5.927 3.699) 7.883 5.055 ( -4.210 7.130 2.420) 8.627 5.093 ( 0.573 3.714 -1.942) 4.230 5.227 ( -0.595 1.281 -3.429) 3.708 5.539 ( 7.455 6.116 3.893) 10.399 5.641 ( 3.073 2.744 2.243) 4.690 5.811 ( -3.540 2.074 1.245) 4.288 5.880 ( 0.012 -2.464 -1.738) 3.015 6.117 ( 3.909 -2.021 0.724) 4.460 6.248 ( -3.076 2.761 2.171) 4.669 6.276 ( 0.109 0.275 2.413) 2.431 6.312 ( -3.857 0.063 3.458) 5.181 6.375 ( -0.425 5.136 -1.174) 5.286 6.488 ( 2.512 3.372 2.677) 4.985 7.110 ( 1.545 -0.517 -5.268) 5.514 7.234 ( 3.105 -5.662 -1.673) 6.671 7.380 ( 3.713 3.996 4.458) 7.045 7.516 ( 1.498 4.166 3.074) 5.389 10.886 ( 2.665 1.062 0.419) 2.899 10.974 ( 0.666 0.277 1.424) 1.597 11.283 ( 3.723 1.912 1.744) 4.534 11.289 ( -3.290 1.829 5.190) 6.411 11.348 ( 3.110 6.578 -0.233) 7.280 11.543 ( 4.380 6.202 -0.913) 7.647 11.647 ( -2.404 3.523 2.449) 4.918 11.934 ( -8.181 10.021 -0.246) 12.939 12.916 ( 5.290 -18.932 -6.797) 20.799 13.056 ( -7.118 -14.650 -0.829) 16.309 13.833 ( 0.327 -0.671 -0.354) 0.826 13.857 ( -0.490 -0.965 -0.245) 1.110 ======================= Grid point 214 (106/160) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -2.954 6.436 11.952) 13.893 1.135 ( 0.610 3.234 -3.453) 4.770 1.304 ( -2.298 -0.568 -5.335) 5.836 1.389 ( -1.864 -3.410 -7.812) 8.725 1.674 ( 8.700 1.875 -0.096) 8.900 1.712 ( -8.310 2.004 -1.756) 8.726 1.818 ( 8.646 1.464 -1.560) 8.907 1.926 ( -6.701 4.436 8.552) 11.735 2.141 ( 5.226 8.743 5.831) 11.737 2.345 ( 0.982 1.930 3.843) 4.411 2.371 ( 5.841 1.190 -9.346) 11.085 2.501 ( 1.060 -2.832 5.775) 6.518 2.621 ( -3.910 0.361 3.530) 5.281 2.670 ( 1.614 -0.013 -1.874) 2.474 2.735 ( -2.399 -7.413 -1.889) 8.017 2.891 ( -2.874 0.194 -10.109) 10.511 3.084 ( -2.154 -0.013 6.975) 7.300 3.211 ( -4.134 -5.993 2.116) 7.582 3.381 ( 0.100 -9.419 -2.787) 9.823 3.473 ( 4.730 0.109 -4.077) 6.245 3.548 ( -3.636 -7.893 0.767) 8.724 3.692 ( -4.751 -14.366 -5.128) 15.976 3.805 ( 3.356 -9.701 -5.488) 11.640 3.884 ( 3.363 -0.428 -5.312) 6.301 3.996 ( -2.763 -4.460 -0.464) 5.268 4.099 ( 4.177 3.666 -4.266) 7.006 4.305 ( 5.139 -9.489 2.049) 10.984 4.368 ( -5.156 -11.278 -1.826) 12.534 4.788 ( 2.222 -2.017 2.695) 4.034 4.851 ( -0.733 2.266 -0.189) 2.390 5.005 ( -3.251 6.882 2.482) 8.006 5.030 ( -0.421 2.882 1.248) 3.168 5.081 ( 1.648 5.898 -1.830) 6.391 5.183 ( 1.026 4.322 -4.251) 6.148 5.669 ( 3.007 4.027 3.259) 5.990 5.692 ( 0.297 5.707 1.583) 5.930 5.766 ( -2.937 -0.426 1.109) 3.168 5.862 ( 1.336 -2.051 -2.846) 3.754 6.157 ( -3.461 2.353 3.694) 5.582 6.264 ( 3.504 2.502 -0.051) 4.306 6.292 ( -3.695 0.433 3.708) 5.253 6.314 ( 0.955 4.447 4.671) 6.519 6.373 ( 1.002 3.461 -0.125) 3.605 6.503 ( -1.546 4.530 -2.117) 5.233 7.099 ( 0.682 -2.981 -0.061) 3.059 7.196 ( -1.965 -3.571 -4.265) 5.899 7.485 ( 1.435 3.265 4.712) 5.909 7.555 ( 0.718 3.473 0.977) 3.679 10.939 ( 2.443 1.537 1.516) 3.261 10.979 ( -1.094 1.209 -0.016) 1.630 11.264 ( -4.443 3.868 2.833) 6.536 11.362 ( 4.959 3.934 -1.999) 6.638 11.414 ( 0.638 5.081 5.398) 7.441 11.597 ( 3.122 10.174 -1.799) 10.793 11.641 ( -2.694 1.011 4.749) 5.553 11.830 ( -1.171 4.788 -2.066) 5.345 12.881 ( -10.285 -16.185 -0.688) 19.189 12.990 ( 9.023 -18.236 -5.879) 21.179 13.836 ( 0.409 -1.064 -0.154) 1.150 13.844 ( -0.487 -1.212 -0.507) 1.401 ======================= Grid point 215 (107/160) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -8.348 3.141 5.268) 10.359 1.137 ( -2.694 1.387 -3.775) 4.841 1.155 ( 0.502 -1.216 0.554) 1.427 1.418 ( 9.924 -5.243 -2.564) 11.513 1.544 ( -9.913 3.555 -1.926) 10.706 1.819 ( 6.486 2.129 0.763) 6.869 1.877 ( -1.101 7.004 -1.606) 7.270 1.976 ( 0.936 3.925 6.182) 7.382 2.136 ( -0.554 4.916 -2.877) 5.723 2.402 ( 7.287 0.325 -5.167) 8.939 2.430 ( -3.008 0.520 9.621) 10.093 2.503 ( -5.446 2.635 -2.010) 6.375 2.538 ( -1.948 2.280 -1.222) 3.238 2.666 ( -4.403 1.093 -12.109) 12.931 2.770 ( 8.539 0.550 5.225) 10.026 2.834 ( 7.537 0.362 1.152) 7.633 3.122 ( -9.416 -2.446 3.267) 10.263 3.146 ( -2.410 -4.934 9.152) 10.673 3.356 ( -2.165 -11.316 -5.720) 12.863 3.401 ( 1.220 -10.225 -3.766) 10.965 3.560 ( 1.596 -2.322 2.183) 3.564 3.701 ( 6.796 -7.288 -0.946) 10.010 3.839 ( 0.061 4.505 -3.403) 5.646 3.860 ( 6.092 -8.512 0.286) 10.472 3.956 ( 2.624 -9.705 -5.965) 11.690 4.165 ( 2.475 -7.206 -2.006) 7.878 4.324 ( 3.658 -6.150 -0.482) 7.172 4.424 ( 6.449 -9.427 2.282) 11.648 4.791 ( -4.871 0.905 -1.833) 5.283 4.830 ( -0.820 -1.874 0.123) 2.049 4.964 ( -1.552 8.905 1.658) 9.190 5.075 ( 0.639 4.371 1.973) 4.838 5.101 ( 4.101 1.711 -0.438) 4.465 5.171 ( 2.394 5.796 -3.213) 7.046 5.644 ( -5.672 5.837 -0.092) 8.140 5.700 ( -2.195 1.130 -0.637) 2.550 5.774 ( 0.463 1.013 3.500) 3.673 5.875 ( 3.890 -2.710 -2.221) 5.235 6.097 ( -6.756 3.152 1.637) 7.633 6.277 ( -3.296 2.005 3.882) 5.473 6.336 ( 4.951 1.545 -0.737) 5.239 6.390 ( -0.448 5.907 4.871) 7.670 6.393 ( 1.646 2.029 -0.196) 2.620 6.424 ( -1.848 3.699 -2.497) 4.830 7.049 ( -6.705 -3.318 -1.399) 7.611 7.170 ( 1.526 -3.078 0.542) 3.478 7.492 ( -3.574 2.476 0.297) 4.359 7.573 ( 0.203 3.169 0.309) 3.190 10.935 ( -2.593 2.475 -1.390) 3.845 10.994 ( 1.736 0.494 0.982) 2.055 11.229 ( -3.242 2.858 2.185) 4.843 11.401 ( -1.991 2.347 -0.659) 3.148 11.410 ( -0.481 9.394 -0.174) 9.408 11.550 ( -2.944 3.684 -1.257) 4.881 11.754 ( 4.608 1.565 7.674) 9.087 11.868 ( 9.315 7.260 -4.433) 12.614 12.682 ( -13.435 -15.137 0.809) 20.256 13.108 ( 10.834 -17.083 -3.161) 20.475 13.830 ( -0.424 -0.932 -0.337) 1.078 13.847 ( 0.748 -1.259 0.102) 1.468 ======================= Grid point 216 (108/160) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -7.284 6.868 -2.049) 10.219 1.107 ( -1.682 5.053 2.866) 6.047 1.227 ( 0.996 -2.986 3.703) 4.860 1.372 ( -9.413 5.244 -0.724) 10.799 1.549 ( 3.675 -5.051 2.628) 6.777 1.816 ( -1.327 2.807 -8.294) 8.856 1.858 ( 1.606 2.516 -2.787) 4.084 2.018 ( 2.718 2.378 1.140) 3.787 2.125 ( -1.246 3.325 -5.058) 6.180 2.262 ( -5.792 1.233 -1.993) 6.248 2.344 ( -9.638 12.276 -2.455) 15.799 2.474 ( 3.148 -0.881 4.686) 5.714 2.652 ( 5.773 -3.066 4.346) 7.850 2.691 ( 6.268 0.450 6.243) 8.858 2.894 ( 2.973 4.312 -1.030) 5.338 3.006 ( 11.872 -2.522 -0.183) 12.138 3.034 ( -5.861 4.150 6.271) 9.534 3.158 ( -0.879 -8.325 -3.591) 9.109 3.295 ( -1.176 -6.237 5.162) 8.181 3.475 ( 6.225 -12.111 4.519) 14.347 3.617 ( 3.521 -2.002 0.262) 4.059 3.787 ( 6.246 -2.436 -10.150) 12.164 3.815 ( -0.136 -0.137 -1.505) 1.518 3.867 ( 0.930 2.565 0.880) 2.867 4.048 ( 7.096 -16.341 -1.346) 17.866 4.136 ( 1.350 -12.722 -1.003) 12.832 4.418 ( 3.796 0.436 1.341) 4.050 4.567 ( 7.336 -3.792 4.140) 9.237 4.673 ( -7.984 1.167 0.842) 8.113 4.784 ( -1.037 -0.515 -2.742) 2.976 5.018 ( 2.955 5.917 2.440) 7.050 5.041 ( -1.711 5.496 -2.572) 6.305 5.164 ( 2.130 5.770 -2.098) 6.498 5.220 ( 5.200 -0.427 1.255) 5.367 5.509 ( -8.786 8.162 -2.804) 12.316 5.640 ( -3.406 -1.936 -1.286) 4.123 5.817 ( -0.165 -0.638 3.677) 3.736 5.928 ( 4.981 -2.574 -1.361) 5.769 6.001 ( -6.500 0.951 0.381) 6.580 6.263 ( -2.400 2.959 1.562) 4.118 6.347 ( 0.952 2.114 -1.692) 2.870 6.391 ( -0.931 1.210 1.337) 2.030 6.429 ( 2.973 -0.766 -0.459) 3.104 6.463 ( 2.531 3.128 1.692) 4.365 6.929 ( -7.233 -0.587 1.361) 7.383 7.182 ( -1.585 -3.743 0.144) 4.067 7.401 ( -5.435 1.638 -3.060) 6.449 7.547 ( -3.249 3.034 -0.958) 4.547 10.874 ( -2.500 2.272 -1.994) 3.923 11.006 ( -0.630 -1.237 -1.062) 1.748 11.205 ( -2.428 2.426 1.469) 3.734 11.313 ( -3.741 3.226 -0.362) 4.953 11.443 ( 2.550 7.690 -1.050) 8.170 11.502 ( -2.160 2.423 -0.619) 3.305 11.826 ( 2.353 -4.174 -5.332) 7.169 12.027 ( 10.443 14.813 1.358) 18.175 12.526 ( -10.776 -13.237 8.882) 19.242 13.243 ( 9.847 -14.433 -2.541) 17.657 13.822 ( -0.267 -0.396 -0.079) 0.484 13.860 ( 0.526 -1.074 0.211) 1.214 ======================= Grid point 217 (109/160) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -2.891 13.439 4.585) 14.491 1.062 ( -8.712 6.689 1.132) 11.042 1.226 ( 2.355 0.316 -9.599) 9.889 1.244 ( -7.756 2.982 4.196) 9.309 1.505 ( -10.264 1.212 -2.572) 10.650 1.738 ( 1.908 1.756 6.152) 6.676 1.854 ( 3.883 4.345 -6.541) 8.760 2.054 ( 0.565 -3.514 -7.885) 8.651 2.108 ( 1.925 3.097 -3.004) 4.725 2.189 ( 2.751 -3.055 4.385) 6.011 2.340 ( -1.148 9.296 13.797) 16.676 2.599 ( 1.971 2.002 6.928) 7.476 2.729 ( -1.368 -6.311 1.089) 6.548 2.801 ( 1.672 3.949 2.022) 4.741 2.918 ( 4.842 0.042 -3.993) 6.276 3.009 ( -3.247 -6.085 0.932) 6.959 3.119 ( 6.940 2.557 1.145) 7.484 3.232 ( 10.752 -0.481 -2.185) 10.982 3.354 ( -1.565 -3.452 6.584) 7.597 3.649 ( 3.015 -5.514 0.719) 6.326 3.663 ( 1.956 -6.204 -1.219) 6.618 3.730 ( 5.708 -7.625 -3.349) 10.097 3.766 ( 0.770 2.496 -1.159) 2.857 3.969 ( 5.366 0.577 2.577) 5.981 4.087 ( 2.527 -5.602 1.345) 6.291 4.217 ( 6.507 -6.827 -1.740) 9.590 4.417 ( -7.493 9.478 4.048) 12.742 4.575 ( -4.230 0.404 2.103) 4.741 4.741 ( 2.600 6.725 1.620) 7.390 4.772 ( 5.222 -6.364 0.753) 8.267 4.976 ( -2.874 0.770 -1.849) 3.503 5.051 ( -0.933 0.616 -2.222) 2.487 5.164 ( 0.724 5.085 -0.080) 5.136 5.285 ( 1.863 2.342 -0.261) 3.004 5.359 ( -5.403 8.106 -2.317) 10.013 5.577 ( -1.861 -5.478 -2.238) 6.204 5.847 ( -0.707 -0.488 2.586) 2.725 5.891 ( -5.628 0.320 -2.968) 6.370 6.013 ( 5.655 -6.982 1.658) 9.137 6.234 ( -1.750 0.746 -0.970) 2.135 6.359 ( -1.659 1.632 0.353) 2.354 6.386 ( 3.356 -1.556 -0.122) 3.702 6.480 ( 4.049 -2.557 -0.300) 4.798 6.533 ( 5.550 0.997 -0.828) 5.699 6.859 ( -6.759 1.076 5.276) 8.642 7.094 ( -6.851 -1.069 -3.938) 7.975 7.282 ( -4.961 1.062 -2.615) 5.707 7.455 ( -5.995 2.933 -1.930) 6.948 10.822 ( -1.430 1.707 -1.579) 2.730 10.959 ( -2.136 -1.876 -1.800) 3.365 11.194 ( -0.389 2.154 1.269) 2.530 11.289 ( 0.083 1.774 -0.138) 1.781 11.440 ( -0.225 3.322 -3.227) 4.637 11.480 ( 0.288 4.276 -0.677) 4.338 11.745 ( -1.848 -3.147 -7.813) 8.624 12.125 ( 0.894 5.972 -1.804) 6.303 12.586 ( 0.214 -2.995 16.624) 16.893 13.357 ( 8.490 -9.457 -3.437) 13.165 13.818 ( -0.364 0.257 0.140) 0.467 13.863 ( -0.290 -0.483 -0.085) 0.570 ======================= Grid point 218 (110/160) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -3.772 10.308 1.138) 11.036 0.955 ( -2.382 10.853 9.042) 14.326 1.131 ( 3.795 0.684 -13.879) 14.405 1.213 ( -4.122 2.739 4.523) 6.705 1.362 ( -5.324 2.690 1.754) 6.218 1.834 ( 3.803 -1.481 -9.381) 10.230 1.913 ( 3.607 13.485 11.391) 18.017 1.939 ( -1.327 0.934 -5.442) 5.678 2.131 ( 4.118 -2.861 -3.256) 5.978 2.294 ( -3.672 5.880 14.169) 15.774 2.477 ( -2.821 -9.743 4.898) 11.264 2.640 ( -2.535 -7.798 2.366) 8.534 2.700 ( 5.527 7.339 -4.950) 10.436 2.834 ( -2.841 -8.064 1.129) 8.624 2.917 ( 2.145 0.412 2.156) 3.069 2.997 ( -3.492 -5.194 0.503) 6.279 3.189 ( 5.943 2.775 -3.523) 7.445 3.330 ( -1.897 -4.739 0.044) 5.105 3.476 ( 8.031 6.035 12.504) 16.039 3.617 ( 1.903 -7.038 -4.760) 8.707 3.680 ( 3.496 -0.982 -1.381) 3.885 3.761 ( 5.169 3.580 -3.686) 7.288 3.908 ( 3.134 -6.408 3.121) 7.787 4.054 ( -0.399 3.944 3.042) 4.997 4.163 ( 4.694 4.874 0.400) 6.778 4.299 ( 4.134 0.532 3.278) 5.303 4.369 ( -1.205 5.315 5.020) 7.410 4.530 ( -3.867 2.697 1.065) 4.833 4.743 ( 0.066 1.006 -1.581) 1.875 4.793 ( -7.875 5.250 0.395) 9.473 4.940 ( 5.048 1.424 -1.325) 5.410 5.048 ( -0.326 -8.803 1.812) 8.993 5.177 ( -0.660 0.185 1.280) 1.452 5.255 ( -4.083 7.991 -2.837) 9.411 5.291 ( -0.221 2.054 -1.300) 2.441 5.535 ( 0.633 -8.866 -4.098) 9.788 5.756 ( -5.522 -2.206 -3.413) 6.856 5.853 ( -0.122 2.266 -0.167) 2.275 6.116 ( 1.729 -5.632 0.259) 5.897 6.213 ( 2.877 -5.038 0.655) 5.838 6.372 ( 1.612 -0.869 0.974) 2.074 6.424 ( 2.037 -2.906 -2.005) 4.076 6.536 ( 2.514 -2.043 -1.282) 3.484 6.585 ( 2.216 -2.387 -2.927) 4.379 6.817 ( -5.315 0.844 5.681) 7.825 6.966 ( -2.277 3.807 -1.296) 4.621 7.189 ( -3.265 2.295 -2.126) 4.522 7.334 ( -6.146 3.246 -1.745) 7.166 10.797 ( -0.169 1.394 -0.649) 1.547 10.927 ( 0.137 -1.613 -1.156) 1.989 11.219 ( 0.713 1.360 2.202) 2.685 11.283 ( -0.604 3.016 -0.988) 3.231 11.390 ( 1.217 -1.213 -6.968) 7.177 11.468 ( -0.655 2.730 -0.942) 2.961 11.669 ( 0.657 -1.583 -1.468) 2.257 12.032 ( -7.527 -2.665 -4.300) 9.069 12.808 ( 2.760 5.034 16.382) 17.358 13.430 ( 6.682 -3.409 -5.648) 9.389 13.816 ( -0.154 0.719 0.363) 0.820 13.851 ( -0.954 0.047 -0.084) 0.959 ======================= Grid point 219 (111/160) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 2.863 2.836 -1.669) 4.362 1.057 ( 2.577 -2.622 -3.142) 4.836 1.252 ( 2.529 7.447 -0.539) 7.883 1.306 ( 1.961 3.659 -3.406) 5.369 1.389 ( 0.090 3.062 1.314) 3.333 1.628 ( -0.945 -8.451 -2.397) 8.835 1.860 ( 0.587 3.245 -4.615) 5.672 2.043 ( 1.272 -4.520 -6.445) 7.974 2.268 ( -8.301 -3.192 5.652) 10.538 2.329 ( -4.688 -4.298 0.739) 6.402 2.416 ( 8.347 3.700 5.826) 10.831 2.546 ( -0.321 -0.833 5.525) 5.596 2.652 ( -4.660 -0.286 4.409) 6.422 2.891 ( -2.547 -1.526 2.968) 4.198 2.987 ( -2.532 8.610 1.066) 9.037 3.063 ( 2.112 10.041 -1.883) 10.432 3.169 ( -1.996 -0.384 4.352) 4.803 3.360 ( 1.989 -0.236 0.114) 2.006 3.418 ( -3.514 -3.848 1.816) 5.518 3.637 ( 1.160 -4.666 -7.467) 8.881 3.775 ( 3.696 -0.086 -0.372) 3.716 3.825 ( 5.186 0.937 -3.308) 6.222 4.029 ( 6.458 9.776 8.757) 14.627 4.204 ( -1.305 7.007 2.977) 7.724 4.347 ( 3.810 1.816 2.967) 5.159 4.407 ( -4.958 2.139 1.908) 5.727 4.525 ( 4.711 2.544 2.146) 5.768 4.598 ( -4.027 4.361 9.499) 11.201 4.652 ( -1.709 -1.827 -4.446) 5.102 4.753 ( -2.318 -0.106 2.165) 3.174 4.855 ( 0.879 -11.081 1.432) 11.208 4.996 ( -6.768 -4.547 1.026) 8.218 5.088 ( 4.145 -2.172 -3.587) 5.897 5.235 ( 0.055 -9.242 -8.120) 12.303 5.295 ( 0.644 4.190 -4.309) 6.045 5.331 ( 0.505 2.597 -4.100) 4.879 5.727 ( 0.133 2.551 3.824) 4.599 5.859 ( -0.157 -1.616 0.689) 1.764 6.062 ( -0.799 0.533 -1.943) 2.167 6.186 ( 3.034 -4.234 -2.350) 5.714 6.336 ( -2.922 -1.046 -1.574) 3.480 6.359 ( -0.957 -0.363 -0.755) 1.271 6.485 ( -3.126 -2.326 1.017) 4.027 6.506 ( 0.645 -3.277 -0.445) 3.370 6.857 ( 0.264 2.417 1.899) 3.085 6.968 ( 3.243 -2.417 -3.130) 5.114 7.252 ( 1.223 3.668 1.790) 4.261 7.301 ( -1.431 1.664 -0.663) 2.292 10.843 ( 1.035 2.460 0.259) 2.681 10.906 ( 0.733 -0.589 -1.379) 1.669 11.268 ( -0.518 1.632 1.327) 2.167 11.309 ( -0.145 1.680 -0.939) 1.930 11.338 ( 0.016 1.383 -2.259) 2.648 11.470 ( 1.258 -0.242 -4.451) 4.631 11.687 ( 5.086 -2.761 0.850) 5.849 11.738 ( -7.300 -5.486 -3.084) 9.638 13.132 ( -1.017 8.406 9.773) 12.931 13.386 ( 1.066 -4.155 -3.040) 5.257 13.832 ( 0.315 0.338 0.189) 0.500 13.839 ( -0.249 -0.012 0.001) 0.249 ======================= Grid point 220 (112/160) ======================= q-point: ( 0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 4.476 0.515 0.068) 4.506 1.078 ( 2.797 -2.920 -7.003) 8.087 1.262 ( 5.162 1.643 -1.913) 5.745 1.303 ( 6.174 0.734 -4.840) 7.879 1.468 ( 2.522 4.697 6.475) 8.387 1.606 ( 2.891 -1.879 -4.693) 5.824 1.856 ( 0.046 1.490 1.689) 2.253 1.965 ( -1.715 -0.873 -6.241) 6.531 2.175 ( -9.184 -0.590 6.595) 11.322 2.250 ( -8.328 -2.131 3.395) 9.243 2.549 ( 3.416 2.435 -0.806) 4.272 2.590 ( 2.762 -1.076 2.292) 3.747 2.670 ( -2.756 0.923 7.361) 7.914 2.862 ( -3.017 -8.816 -4.183) 10.214 2.950 ( -1.688 11.497 0.593) 11.636 3.005 ( -9.045 2.526 -1.402) 9.496 3.158 ( -5.609 -4.674 4.794) 8.734 3.382 ( -1.040 -3.297 0.869) 3.565 3.436 ( 0.632 3.912 7.669) 8.633 3.523 ( -3.232 0.809 -6.401) 7.216 3.819 ( 4.842 2.309 -5.458) 7.653 3.862 ( 2.107 -3.072 -2.121) 4.287 4.042 ( -7.854 11.976 1.607) 14.412 4.190 ( -5.371 6.963 -1.188) 8.873 4.290 ( -7.456 2.507 0.502) 7.882 4.406 ( -1.366 -1.250 3.322) 3.803 4.557 ( -3.429 -0.231 -0.434) 3.464 4.629 ( 3.208 -1.352 2.007) 4.018 4.671 ( -6.424 -0.781 2.069) 6.794 4.730 ( 3.934 0.848 4.646) 6.146 4.896 ( -0.350 -11.945 2.560) 12.221 4.993 ( 5.484 4.509 -2.824) 7.641 5.055 ( -1.461 -9.830 -1.294) 10.022 5.247 ( 5.660 -3.967 -2.308) 7.287 5.279 ( 4.017 4.904 -2.857) 6.953 5.335 ( 5.234 1.618 -2.928) 6.211 5.794 ( 1.671 2.811 4.826) 5.830 5.858 ( 1.882 1.237 -4.272) 4.829 6.038 ( -3.031 -2.865 3.924) 5.727 6.144 ( -0.890 -5.887 -6.387) 8.732 6.316 ( -0.755 0.203 1.770) 1.934 6.351 ( 0.531 -0.023 1.558) 1.646 6.445 ( -3.054 -1.051 0.577) 3.281 6.490 ( -2.254 -1.094 0.175) 2.512 6.895 ( 2.910 2.038 0.417) 3.577 7.015 ( 6.034 -3.800 -2.581) 7.584 7.280 ( 1.473 4.291 -0.610) 4.577 7.333 ( 4.969 1.449 0.395) 5.192 10.871 ( 1.574 1.820 0.692) 2.504 10.892 ( 0.620 0.714 -2.971) 3.118 11.246 ( -2.296 2.683 -0.002) 3.531 11.298 ( 0.484 2.276 0.872) 2.485 11.347 ( -0.967 -0.120 -0.461) 1.078 11.431 ( 1.334 -3.335 -4.266) 5.576 11.667 ( 1.344 1.458 0.099) 1.986 11.832 ( 10.511 -6.017 1.446) 12.197 13.131 ( -10.630 5.653 6.953) 13.903 13.306 ( -5.699 -3.435 -3.846) 7.686 13.836 ( 0.171 0.315 -0.105) 0.373 13.846 ( 0.665 -0.054 0.158) 0.686 ======================= Grid point 221 (113/160) ======================= q-point: ( 0.20 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -1.073 1.500 -4.538) 4.898 1.080 ( 7.242 -3.265 -3.094) 8.526 1.329 ( 4.786 4.114 -1.864) 6.581 1.463 ( 11.616 -2.127 3.435) 12.299 1.567 ( 2.942 4.564 3.363) 6.387 1.630 ( 6.856 -0.276 -6.042) 9.143 1.864 ( -4.436 2.241 1.260) 5.127 1.879 ( -0.864 0.718 1.492) 1.868 2.105 ( -8.853 1.379 -0.646) 8.983 2.193 ( -2.198 -2.856 6.478) 7.413 2.477 ( -4.960 4.134 -6.460) 9.133 2.642 ( -2.096 -1.572 -0.317) 2.639 2.720 ( -3.273 -0.214 6.275) 7.081 2.760 ( -3.010 -2.421 -3.313) 5.088 2.843 ( -6.176 -0.991 4.621) 7.777 2.933 ( -1.976 0.002 0.416) 2.020 3.094 ( -5.624 -1.139 1.584) 5.953 3.319 ( -4.715 0.321 -3.228) 5.723 3.445 ( -1.756 -2.138 -0.453) 2.803 3.530 ( -2.627 -3.133 7.629) 8.656 3.744 ( -9.155 4.563 -4.898) 11.341 3.818 ( 0.779 -3.784 -5.865) 7.023 3.979 ( 1.750 1.543 -7.495) 7.850 4.050 ( -8.811 8.368 2.724) 12.453 4.154 ( -7.101 -1.182 -4.521) 8.501 4.395 ( -2.907 4.356 -5.367) 7.499 4.402 ( -10.641 -5.765 2.956) 12.458 4.603 ( -4.737 -3.674 1.084) 6.092 4.752 ( 6.886 -1.494 2.180) 7.376 4.813 ( -4.396 0.736 2.002) 4.886 4.886 ( 6.447 -2.501 -0.591) 6.941 5.058 ( 5.786 6.784 -1.722) 9.081 5.113 ( 2.311 -7.718 6.098) 10.105 5.242 ( -0.743 -0.399 -1.394) 1.629 5.395 ( 6.690 3.279 -0.601) 7.474 5.420 ( 8.945 0.229 -0.783) 8.982 5.827 ( 1.674 2.205 -3.965) 4.836 5.879 ( 2.084 4.243 4.895) 6.805 6.038 ( -3.448 -5.775 -5.763) 8.858 6.081 ( 0.664 -5.115 6.313) 8.153 6.333 ( -0.312 0.665 1.913) 2.050 6.368 ( -2.886 -0.851 1.978) 3.601 6.428 ( 1.840 1.706 -0.664) 2.596 6.458 ( -2.088 0.889 1.951) 2.993 6.960 ( 5.347 0.995 -0.171) 5.441 7.083 ( 5.368 -4.732 -2.658) 7.633 7.314 ( 3.676 5.922 -0.337) 6.978 7.421 ( 5.201 0.719 0.519) 5.276 10.873 ( 1.146 1.809 -2.465) 3.266 10.904 ( 1.787 0.746 0.444) 1.987 11.228 ( -1.132 0.316 2.019) 2.336 11.270 ( -2.036 -0.829 -2.302) 3.183 11.354 ( 2.486 4.198 1.597) 5.133 11.458 ( 3.520 -0.785 0.349) 3.623 11.731 ( 4.944 5.547 0.043) 7.431 12.019 ( 9.981 -6.246 1.757) 11.904 12.959 ( -15.096 1.692 0.128) 15.191 13.144 ( -10.721 -6.044 -1.431) 12.390 13.836 ( 0.025 0.419 -0.208) 0.468 13.854 ( 0.155 -0.383 0.062) 0.418 ======================= Grid point 222 (114/160) ======================= q-point: ( 0.30 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.339 6.980 6.597) 9.610 1.192 ( 8.276 -2.320 -2.285) 8.894 1.382 ( 3.550 5.306 -0.135) 6.385 1.627 ( 2.004 2.379 -3.075) 4.374 1.631 ( 1.324 -1.979 0.666) 2.473 1.674 ( 13.082 -0.495 -4.140) 13.730 1.806 ( -5.284 2.452 -3.894) 7.007 1.913 ( 3.804 -2.845 0.605) 4.789 2.009 ( -0.266 4.091 3.821) 5.604 2.152 ( -4.286 -2.656 -4.129) 6.517 2.384 ( -3.841 2.812 1.236) 4.919 2.510 ( -12.829 1.482 3.993) 13.518 2.660 ( -4.948 0.118 1.617) 5.207 2.724 ( -4.091 5.929 6.249) 9.537 2.881 ( -2.596 -7.605 -0.604) 8.058 2.937 ( 3.062 -4.196 3.731) 6.396 3.050 ( -2.481 -2.010 0.630) 3.255 3.215 ( -3.967 -0.483 -1.227) 4.180 3.420 ( -4.424 -4.081 1.147) 6.127 3.459 ( -7.315 -6.102 -2.562) 9.864 3.568 ( -6.428 0.414 -0.621) 6.471 3.729 ( -2.982 -8.617 -7.784) 11.989 3.876 ( -3.616 -0.328 -4.179) 5.536 3.933 ( -4.635 -0.736 -7.387) 8.752 4.088 ( 2.612 2.691 -1.325) 3.977 4.190 ( -7.001 6.171 -7.952) 12.261 4.344 ( -5.388 -6.202 0.693) 8.245 4.492 ( -6.405 -7.249 -4.171) 10.534 4.759 ( -2.287 2.783 0.668) 3.664 4.885 ( 2.628 1.932 5.771) 6.629 4.993 ( 8.340 6.121 -4.288) 11.198 5.120 ( 1.911 3.022 1.245) 3.786 5.194 ( -0.241 0.321 1.015) 1.091 5.207 ( -0.283 -3.604 0.470) 3.645 5.492 ( 6.662 3.956 0.689) 7.778 5.554 ( 7.240 0.361 1.615) 7.427 5.829 ( 0.437 -1.092 0.041) 1.177 5.913 ( -5.144 -1.209 -1.905) 5.617 5.998 ( 5.962 2.697 3.523) 7.432 6.175 ( 1.934 -3.731 5.985) 7.313 6.324 ( -2.772 1.102 1.081) 3.173 6.339 ( -2.558 -0.165 1.959) 3.226 6.462 ( 2.811 2.693 0.756) 3.966 6.470 ( 0.031 1.947 1.161) 2.267 7.050 ( 5.896 -1.949 -1.079) 6.303 7.111 ( 2.543 -3.943 -3.284) 5.727 7.389 ( 4.919 6.282 1.374) 8.097 7.506 ( 3.826 1.099 1.851) 4.390 10.881 ( 2.114 2.254 -0.701) 3.169 10.939 ( 1.993 -0.147 0.523) 2.066 11.242 ( 0.139 -0.072 1.685) 1.692 11.260 ( -0.336 -0.684 4.225) 4.293 11.422 ( 3.797 6.043 1.257) 7.246 11.533 ( 5.916 1.130 -0.485) 6.043 11.788 ( 2.489 8.859 -1.319) 9.296 12.161 ( 4.496 -0.484 2.285) 5.066 12.697 ( -12.603 -6.342 -5.729) 15.227 12.948 ( -12.535 -11.406 -0.275) 16.950 13.832 ( -0.172 0.165 -0.385) 0.453 13.851 ( -0.455 -0.704 -0.168) 0.855 ======================= Grid point 223 (115/160) ======================= q-point: ( 0.40 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -1.879 8.493 10.559) 13.680 1.244 ( 5.547 2.624 -7.864) 9.975 1.374 ( -4.628 -0.042 -2.157) 5.106 1.515 ( -7.218 -4.680 -7.170) 11.199 1.653 ( 2.647 6.629 -4.818) 8.612 1.745 ( 8.275 2.494 -3.577) 9.354 1.823 ( 3.033 -1.173 -3.724) 4.944 1.965 ( 6.446 -3.426 4.982) 8.838 2.133 ( 3.102 6.802 5.618) 9.351 2.197 ( 10.384 0.329 7.688) 12.925 2.254 ( -6.915 1.038 1.376) 7.126 2.455 ( -4.576 -2.161 2.063) 5.465 2.609 ( -4.452 -0.929 5.129) 6.855 2.705 ( -8.602 2.020 5.721) 10.527 2.805 ( -6.067 -3.092 -5.629) 8.835 2.926 ( -2.654 -6.875 0.546) 7.390 3.058 ( 1.728 -0.847 1.133) 2.233 3.174 ( 0.884 0.847 -3.446) 3.657 3.286 ( -8.211 -3.805 2.886) 9.498 3.420 ( -1.733 -8.498 0.672) 8.699 3.503 ( -3.112 -3.552 1.601) 4.987 3.586 ( -1.799 -7.892 -10.419) 13.193 3.774 ( -0.037 -2.460 -14.160) 14.372 3.823 ( -2.168 -7.328 2.256) 7.968 4.000 ( -5.750 4.325 -5.379) 8.984 4.143 ( 4.991 2.428 -3.079) 6.347 4.245 ( -5.973 -3.989 -1.844) 7.415 4.343 ( -4.022 -4.749 -7.146) 9.476 4.756 ( 0.162 4.180 1.876) 4.585 4.947 ( -0.612 4.617 3.175) 5.637 5.024 ( 2.312 -0.094 -5.031) 5.538 5.138 ( -0.273 0.140 -0.839) 0.893 5.169 ( -1.549 4.488 1.315) 4.926 5.228 ( 2.798 -0.375 -3.232) 4.291 5.623 ( 5.862 3.602 3.972) 7.944 5.681 ( 5.619 1.251 2.114) 6.133 5.820 ( -4.364 -1.081 -0.686) 4.548 5.827 ( -0.779 -2.549 0.005) 2.665 6.141 ( 4.444 3.950 5.746) 8.269 6.260 ( 0.879 -1.499 5.245) 5.525 6.302 ( -1.961 2.496 2.686) 4.158 6.332 ( -1.281 1.193 2.950) 3.430 6.463 ( -0.180 3.819 -1.313) 4.043 6.527 ( 2.199 0.803 2.055) 3.115 7.072 ( 1.323 -2.194 -4.474) 5.156 7.127 ( 2.200 -5.089 -1.719) 5.805 7.487 ( 4.124 5.923 2.913) 7.782 7.577 ( 1.840 1.746 2.545) 3.593 10.922 ( 2.554 2.351 1.052) 3.627 10.977 ( 1.477 -0.158 1.136) 1.870 11.291 ( 1.086 0.080 4.649) 4.774 11.311 ( -0.343 -0.236 5.591) 5.607 11.493 ( 4.249 7.541 0.087) 8.656 11.627 ( 6.118 1.779 -0.778) 6.418 11.784 ( 1.039 12.073 -2.777) 12.431 12.155 ( -9.533 12.548 0.832) 15.780 12.522 ( 2.124 -21.322 -6.751) 22.466 12.753 ( -11.215 -16.559 -0.852) 20.018 13.824 ( -0.103 -0.231 -0.540) 0.597 13.838 ( -0.644 -0.895 -0.446) 1.190 ======================= Grid point 224 (116/160) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -3.771 4.278 3.484) 6.683 1.193 ( -0.735 3.055 -4.453) 5.450 1.275 ( -3.300 -2.603 -9.385) 10.283 1.306 ( -3.652 -4.619 -3.299) 6.750 1.714 ( 7.756 1.882 -2.775) 8.450 1.735 ( -1.780 0.327 -6.654) 6.896 1.905 ( 7.426 7.750 5.544) 12.080 2.046 ( -7.275 7.791 12.446) 16.387 2.262 ( 4.571 -1.502 -3.908) 6.199 2.322 ( 7.176 -2.005 3.889) 8.405 2.394 ( -3.188 2.059 4.491) 5.879 2.478 ( 6.874 0.796 8.369) 10.860 2.582 ( -7.031 -4.716 3.322) 9.095 2.604 ( 3.434 -2.171 1.703) 4.405 2.704 ( -0.943 2.492 -1.128) 2.893 2.870 ( -2.360 -3.026 -7.211) 8.168 3.078 ( -0.451 -3.829 0.817) 3.941 3.158 ( -0.136 2.767 -1.865) 3.340 3.216 ( -7.132 -7.838 3.416) 11.134 3.373 ( -5.020 -8.632 -2.047) 10.193 3.452 ( 1.989 -3.816 -9.446) 10.380 3.501 ( 3.822 -4.067 -1.179) 5.705 3.657 ( 1.239 -1.899 -6.362) 6.754 3.851 ( -0.774 -8.341 1.081) 8.446 3.915 ( 2.988 -0.653 -2.244) 3.794 4.123 ( -5.428 -7.307 -2.031) 9.326 4.192 ( 3.608 1.764 -3.221) 5.148 4.230 ( 0.962 -1.137 -6.879) 7.039 4.801 ( 1.597 3.680 3.148) 5.100 4.928 ( -1.611 4.959 -3.516) 6.288 5.016 ( -0.313 -2.718 2.607) 3.779 5.114 ( 0.276 -0.339 -2.702) 2.737 5.151 ( -1.961 4.295 0.447) 4.742 5.236 ( 3.306 1.056 -4.165) 5.421 5.729 ( 1.461 2.436 2.815) 3.999 5.757 ( 1.461 1.375 0.622) 2.101 5.762 ( -2.678 0.301 1.344) 3.011 5.814 ( 0.197 -2.498 -0.713) 2.605 6.225 ( -2.157 4.237 4.689) 6.677 6.295 ( -0.357 0.883 2.450) 2.628 6.332 ( -0.556 2.959 4.397) 5.329 6.382 ( 1.333 2.231 6.081) 6.613 6.447 ( 0.181 3.909 -1.226) 4.101 6.547 ( -1.076 0.153 -0.959) 1.450 7.043 ( -0.692 -2.065 -1.230) 2.501 7.114 ( 0.577 -4.629 -3.854) 6.051 7.565 ( 0.559 4.350 3.443) 5.576 7.613 ( 0.272 2.167 1.150) 2.468 10.975 ( 1.933 1.976 1.762) 3.278 11.000 ( -0.156 0.827 0.645) 1.060 11.322 ( -3.660 2.081 4.694) 6.305 11.384 ( 2.680 -0.808 2.796) 3.956 11.552 ( 0.911 7.900 2.521) 8.342 11.669 ( -0.614 1.492 2.483) 2.961 11.821 ( 4.495 13.737 -3.982) 14.992 11.963 ( -4.347 9.336 -4.894) 11.402 12.542 ( -6.658 -18.736 -0.364) 19.887 12.613 ( 5.819 -20.292 -3.754) 21.441 13.820 ( 0.281 -0.587 -0.402) 0.765 13.824 ( -0.342 -0.804 -0.556) 1.036 ======================= Grid point 225 (117/160) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -6.400 -0.470 0.097) 6.418 1.111 ( -0.708 -2.859 -1.450) 3.283 1.197 ( 0.708 4.314 0.368) 4.387 1.332 ( 5.553 -3.592 -0.378) 6.624 1.620 ( -5.021 4.444 -3.809) 7.712 1.788 ( 5.742 -3.437 -3.800) 7.695 2.062 ( -3.418 8.438 2.610) 9.471 2.082 ( 1.688 8.378 4.503) 9.660 2.213 ( -0.293 2.243 4.431) 4.975 2.375 ( -1.709 -1.772 -3.177) 4.019 2.412 ( -4.803 -1.300 1.441) 5.180 2.486 ( -1.465 -4.110 7.450) 8.634 2.615 ( 3.391 4.283 -3.378) 6.423 2.692 ( -4.400 0.804 -13.113) 13.855 2.780 ( 11.634 0.930 3.961) 12.325 2.843 ( 12.089 -0.527 2.873) 12.437 3.038 ( -5.423 -6.466 0.220) 8.442 3.111 ( -4.513 -1.700 0.578) 4.857 3.156 ( 2.405 -5.656 -0.770) 6.194 3.269 ( -5.284 -2.881 3.866) 7.153 3.548 ( 13.732 -2.750 -1.872) 14.129 3.609 ( 8.926 -6.503 0.125) 11.044 3.623 ( 1.448 -0.004 -4.133) 4.379 3.853 ( 2.258 -4.733 -1.241) 5.389 3.942 ( -1.391 -2.558 -1.463) 3.258 4.014 ( -2.392 -2.265 -4.280) 5.401 4.218 ( 5.889 -8.609 -0.224) 10.433 4.262 ( 5.483 -3.039 -1.313) 6.405 4.843 ( -2.802 4.265 -0.378) 5.117 4.851 ( -1.017 2.985 -0.204) 3.160 5.069 ( 3.058 -1.815 2.710) 4.470 5.097 ( 0.516 0.576 -1.355) 1.560 5.129 ( -0.770 3.375 -0.079) 3.463 5.242 ( 2.722 1.029 -3.481) 4.537 5.704 ( -4.077 1.495 0.999) 4.456 5.724 ( -4.610 0.907 -0.433) 4.718 5.789 ( 0.226 0.765 1.887) 2.049 5.830 ( 1.789 -1.674 -0.451) 2.491 6.190 ( -5.333 5.670 1.577) 7.942 6.305 ( -2.324 0.569 2.998) 3.836 6.372 ( 0.238 2.455 2.974) 3.864 6.440 ( 0.393 2.786 -1.216) 3.066 6.459 ( -1.306 0.418 3.192) 3.474 6.484 ( -2.141 2.302 -1.175) 3.356 7.003 ( -3.414 -0.912 -0.739) 3.610 7.098 ( 1.307 -4.192 -1.314) 4.583 7.555 ( -4.365 3.727 0.728) 5.786 7.619 ( -1.110 1.272 0.542) 1.773 10.980 ( -2.078 2.090 -1.003) 3.113 11.008 ( 0.172 0.718 0.668) 0.996 11.294 ( -4.049 3.676 2.305) 5.935 11.412 ( -1.978 -1.356 0.186) 2.406 11.569 ( -3.097 5.632 4.617) 7.913 11.686 ( -3.014 12.751 -5.947) 14.389 11.726 ( -0.250 -2.728 3.488) 4.436 12.085 ( 16.812 12.385 -2.338) 21.011 12.365 ( -11.886 -16.502 0.181) 20.338 12.760 ( 12.508 -18.854 -1.541) 22.679 13.817 ( 0.125 -0.396 -0.323) 0.526 13.826 ( 0.768 -0.864 -0.063) 1.157 ======================= Grid point 226 (118/160) ======================= q-point: (-0.30 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.275 4.308 2.706) 5.573 1.124 ( -2.545 -2.737 4.373) 5.752 1.249 ( 3.675 4.773 2.113) 6.383 1.449 ( 5.865 -5.381 3.881) 8.855 1.505 ( -5.769 8.364 -0.739) 10.187 1.794 ( -3.932 -4.923 -4.943) 8.008 1.912 ( -1.584 4.284 -9.884) 10.889 2.066 ( -2.603 0.894 -3.561) 4.501 2.200 ( -3.504 4.221 -11.144) 12.421 2.267 ( -3.526 -0.166 -2.351) 4.241 2.451 ( 0.798 -0.146 6.452) 6.503 2.528 ( -4.131 3.903 5.656) 8.018 2.606 ( 5.696 -0.735 6.466) 8.648 2.711 ( 4.502 0.026 5.080) 6.788 2.944 ( 4.448 1.307 -3.481) 5.797 2.980 ( 11.413 2.355 -4.098) 12.353 3.066 ( 6.916 -1.193 0.255) 7.023 3.078 ( -0.836 -2.363 1.674) 3.015 3.224 ( 1.333 -2.003 6.404) 6.841 3.317 ( 3.448 -3.685 8.703) 10.060 3.612 ( 2.166 0.309 -1.378) 2.586 3.668 ( 3.941 -6.395 -12.073) 14.219 3.772 ( 11.156 -6.658 -2.394) 13.211 3.864 ( 2.251 3.955 -1.637) 4.837 3.902 ( 0.167 -7.941 2.922) 8.463 4.017 ( 4.557 5.088 3.261) 7.569 4.342 ( 5.823 -8.635 0.893) 10.453 4.370 ( 9.801 -11.229 1.844) 15.019 4.758 ( -5.458 5.399 -0.089) 7.678 4.843 ( -2.274 4.219 1.283) 4.962 5.083 ( -0.293 -1.023 -2.797) 2.992 5.130 ( 1.660 5.566 0.011) 5.809 5.162 ( 3.447 -3.444 2.354) 5.411 5.252 ( 2.771 0.937 -2.508) 3.853 5.610 ( -7.722 2.280 -2.286) 8.370 5.628 ( -6.261 1.654 -0.325) 6.484 5.799 ( -1.506 -0.602 2.439) 2.929 5.845 ( -0.355 -3.235 0.565) 3.303 6.115 ( -3.892 7.254 -0.951) 8.287 6.288 ( -2.466 -0.637 0.537) 2.603 6.373 ( -1.732 0.981 -0.717) 2.116 6.407 ( -1.131 -0.234 0.014) 1.155 6.439 ( 0.183 2.065 -0.426) 2.117 6.497 ( -1.013 0.146 2.164) 2.394 6.943 ( -3.565 2.268 0.639) 4.273 7.100 ( -0.594 -4.753 -0.532) 4.819 7.461 ( -6.616 4.182 -1.455) 7.961 7.575 ( -4.504 -0.241 -0.479) 4.536 10.922 ( -2.712 2.591 -2.016) 4.258 10.989 ( -2.092 -0.823 -1.248) 2.572 11.260 ( -2.683 3.224 1.370) 4.413 11.349 ( -4.435 0.062 0.183) 4.439 11.549 ( -2.572 3.386 -0.201) 4.257 11.611 ( 0.342 8.333 -4.115) 9.300 11.754 ( 0.093 -1.732 -1.070) 2.038 12.195 ( -10.790 -11.061 2.448) 15.645 12.368 ( 16.606 10.782 4.242) 20.249 12.954 ( 13.440 -15.718 -0.674) 20.692 13.820 ( 0.382 0.101 -0.019) 0.395 13.840 ( 0.770 -0.936 0.213) 1.230 ======================= Grid point 227 (119/160) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.359 5.961 2.021) 6.304 1.112 ( -3.932 0.619 3.738) 5.460 1.287 ( 2.738 7.134 -8.227) 11.228 1.365 ( -10.381 7.429 2.290) 12.969 1.519 ( -8.135 0.111 -4.768) 9.430 1.648 ( 3.648 -7.628 3.583) 9.183 1.935 ( 5.024 0.953 -0.169) 5.117 1.994 ( 3.750 -1.674 -6.545) 7.726 2.096 ( -0.450 -2.975 0.031) 3.009 2.181 ( 0.029 1.215 -5.827) 5.953 2.421 ( -3.301 0.683 -0.168) 3.375 2.623 ( -4.701 -3.715 7.115) 9.302 2.696 ( -3.108 3.627 10.600) 11.626 2.865 ( 5.575 -0.132 4.207) 6.985 2.985 ( 5.401 8.713 -5.161) 11.477 3.036 ( 1.731 8.872 -0.938) 9.088 3.124 ( 4.721 -2.494 -1.150) 5.462 3.203 ( 10.190 -1.481 -0.735) 10.323 3.339 ( 5.303 1.042 5.334) 7.593 3.485 ( 3.501 -8.170 -0.486) 8.902 3.598 ( 5.482 -5.238 -0.697) 7.614 3.649 ( 3.041 2.409 1.450) 4.142 3.785 ( 1.372 -2.111 -2.148) 3.309 3.925 ( 1.536 -6.376 4.553) 7.984 4.051 ( 11.593 3.641 2.128) 12.336 4.177 ( 8.583 3.821 3.305) 9.960 4.437 ( 4.444 -6.467 1.578) 8.003 4.552 ( 9.452 -13.858 1.551) 16.846 4.665 ( -8.801 8.119 3.613) 12.507 4.830 ( -0.668 1.594 0.976) 1.985 5.034 ( -1.193 3.756 -3.473) 5.253 5.111 ( -4.137 4.314 -3.320) 6.837 5.194 ( -1.866 -1.550 0.797) 2.553 5.289 ( 5.005 -2.975 -2.335) 6.273 5.464 ( -5.671 1.891 -2.758) 6.583 5.503 ( -7.412 0.477 -2.184) 7.742 5.810 ( -1.164 -2.126 1.256) 2.730 5.815 ( -4.312 -3.495 3.029) 6.324 6.068 ( 0.999 6.625 -2.670) 7.213 6.229 ( -3.211 -1.192 -2.696) 4.360 6.363 ( 1.374 -0.429 -0.321) 1.475 6.404 ( -3.365 2.327 1.628) 4.403 6.426 ( 2.422 -2.500 -0.718) 3.554 6.519 ( 1.585 -2.288 0.596) 2.847 6.900 ( -3.870 3.360 1.572) 5.361 7.056 ( -3.232 -3.333 -1.797) 4.979 7.337 ( -6.428 4.429 -1.196) 7.897 7.475 ( -6.586 -0.921 -1.090) 6.739 10.865 ( -1.658 2.500 -1.696) 3.446 10.934 ( -2.256 -1.100 -1.231) 2.796 11.240 ( -0.954 2.527 0.515) 2.750 11.307 ( -1.055 -0.095 0.046) 1.061 11.498 ( -1.984 2.972 -2.570) 4.402 11.556 ( -0.035 2.671 -6.790) 7.297 11.712 ( -3.460 1.393 -0.429) 3.754 12.063 ( -9.377 -10.385 1.470) 14.069 12.685 ( 14.044 11.490 8.284) 19.947 13.160 ( 12.696 -11.336 -0.174) 17.021 13.825 ( 0.164 0.504 0.168) 0.556 13.851 ( 0.124 -0.758 0.191) 0.791 ======================= Grid point 228 (120/160) ======================= q-point: (-0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -2.613 3.935 -5.540) 7.280 1.104 ( 0.471 -1.771 -5.641) 5.931 1.199 ( 0.464 11.892 -1.222) 11.963 1.298 ( -3.046 5.466 4.909) 7.953 1.413 ( -3.703 2.114 0.876) 4.353 1.681 ( 0.243 -10.473 -3.936) 11.191 1.931 ( -0.847 1.738 -7.011) 7.273 2.050 ( 4.523 0.055 -1.778) 4.861 2.183 ( 6.830 2.197 7.434) 10.332 2.242 ( 5.353 -6.696 6.210) 10.586 2.372 ( -3.048 -2.536 0.416) 3.987 2.554 ( -7.904 -4.017 4.155) 9.791 2.709 ( -5.680 -0.210 2.822) 6.346 2.920 ( -1.044 -4.213 0.666) 4.391 2.994 ( 0.661 18.978 -0.146) 18.990 3.052 ( 0.417 9.932 -1.351) 10.032 3.145 ( 2.947 -1.009 -2.683) 4.111 3.314 ( 3.962 -0.282 0.236) 3.979 3.452 ( -0.243 -8.802 -1.370) 8.911 3.560 ( 9.509 1.197 4.945) 10.785 3.702 ( 6.798 0.664 0.515) 6.850 3.768 ( 1.463 -0.291 6.228) 6.404 3.833 ( 8.788 -0.380 -3.096) 9.325 4.072 ( 6.222 -4.226 10.195) 12.669 4.236 ( 8.828 6.481 0.670) 10.972 4.340 ( 6.570 3.666 4.934) 8.997 4.491 ( -0.676 -0.121 1.255) 1.431 4.579 ( -6.253 6.933 5.077) 10.628 4.675 ( 4.865 -8.444 -0.264) 9.749 4.829 ( 0.050 -6.998 -0.828) 7.047 4.893 ( -13.351 3.721 -0.698) 13.877 5.042 ( 4.742 6.146 -5.623) 9.586 5.131 ( -8.178 -5.055 2.090) 9.838 5.313 ( 2.261 -7.323 -5.432) 9.394 5.368 ( -4.312 0.772 -4.303) 6.140 5.380 ( -1.839 2.953 -3.162) 4.701 5.734 ( -4.093 0.485 0.284) 4.132 5.847 ( -0.696 -3.115 3.524) 4.755 6.084 ( 3.299 2.361 -3.110) 5.112 6.160 ( -0.641 -1.480 -1.802) 2.418 6.374 ( -1.468 0.764 0.759) 1.821 6.381 ( 0.801 -0.713 -1.466) 1.816 6.474 ( 3.282 -3.550 -0.204) 4.839 6.528 ( -1.189 -4.182 -0.736) 4.410 6.856 ( -2.830 3.325 1.342) 4.568 6.987 ( -1.993 -1.569 -1.849) 3.139 7.253 ( -3.266 4.321 0.495) 5.438 7.365 ( -5.517 -0.176 -0.629) 5.556 10.838 ( -0.114 2.512 -0.714) 2.614 10.907 ( -0.246 -0.921 -0.257) 0.988 11.246 ( 0.639 1.511 1.142) 1.999 11.304 ( 1.058 -0.963 -1.237) 1.892 11.416 ( -2.234 3.843 -5.811) 7.316 11.497 ( 0.203 0.456 -3.550) 3.585 11.660 ( -2.197 1.233 0.463) 2.562 11.910 ( -9.356 -8.994 -2.320) 13.184 12.965 ( 8.130 10.354 9.861) 16.448 13.329 ( 8.539 -7.180 -0.945) 11.197 13.828 ( -0.021 0.608 0.211) 0.644 13.847 ( -0.617 -0.364 0.065) 0.719 ======================= Grid point 229 (121/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.118 -3.496 -2.916) 5.021 0.993 ( 2.118 3.496 -2.916) 5.021 1.335 ( 0.942 -0.940 -6.825) 6.954 1.335 ( 0.942 0.940 -6.825) 6.953 1.480 ( 0.179 -6.729 3.503) 7.588 1.480 ( 0.179 6.729 3.503) 7.588 1.948 ( 1.294 -5.302 -5.400) 7.678 1.948 ( 1.294 5.302 -5.400) 7.678 2.253 ( -3.839 -2.278 2.776) 5.257 2.253 ( -3.839 2.278 2.776) 5.257 2.490 ( 3.771 -4.132 6.747) 8.764 2.490 ( 3.771 4.132 6.747) 8.764 2.727 ( -3.628 -7.713 1.027) 8.586 2.727 ( -3.628 7.713 1.027) 8.586 3.188 ( -5.241 -1.225 -0.870) 5.452 3.188 ( -5.241 1.225 -0.870) 5.452 3.248 ( -0.593 -6.420 2.541) 6.930 3.248 ( -0.593 6.420 2.541) 6.930 3.478 ( 1.074 -9.310 2.251) 9.639 3.478 ( 1.074 9.310 2.251) 9.639 3.819 ( 7.153 -2.815 -5.481) 9.441 3.819 ( 7.153 2.815 -5.481) 9.441 4.194 ( 5.617 -6.122 10.012) 13.010 4.194 ( 5.617 6.122 10.012) 13.010 4.409 ( -3.619 -3.639 0.610) 5.168 4.409 ( -3.619 3.639 0.610) 5.168 4.561 ( 4.971 -5.232 -1.690) 7.412 4.561 ( 4.971 5.232 -1.690) 7.412 4.708 ( -6.491 -2.425 3.270) 7.662 4.708 ( -6.491 2.425 3.270) 7.662 4.828 ( -5.474 -9.878 4.485) 12.151 4.828 ( -5.474 9.878 4.485) 12.151 5.122 ( 3.332 -4.457 -7.448) 9.297 5.122 ( 3.332 4.457 -7.448) 9.297 5.348 ( 0.676 -1.061 -4.779) 4.942 5.348 ( 0.676 1.061 -4.779) 4.942 5.794 ( -0.040 -4.237 3.475) 5.480 5.794 ( -0.040 4.237 3.475) 5.480 6.111 ( 0.791 -3.788 -4.526) 5.955 6.111 ( 0.791 3.788 -4.526) 5.955 6.346 ( -2.748 -1.483 0.049) 3.123 6.346 ( -2.748 1.483 0.049) 3.123 6.462 ( 0.008 -0.920 0.808) 1.225 6.462 ( 0.008 0.920 0.808) 1.225 6.912 ( 1.749 -3.221 -1.529) 3.971 6.912 ( 1.749 3.221 -1.529) 3.971 7.302 ( -0.305 -1.434 1.064) 1.812 7.302 ( -0.305 1.434 1.064) 1.812 10.885 ( 0.686 -1.739 -0.034) 1.870 10.885 ( 0.686 1.739 -0.034) 1.870 11.295 ( 1.192 -1.397 1.166) 2.175 11.295 ( 1.192 1.397 1.166) 2.175 11.422 ( -0.936 -4.727 -5.779) 7.524 11.422 ( -0.936 4.727 -5.779) 7.524 11.667 ( -0.885 -1.284 -0.054) 1.560 11.667 ( -0.885 1.284 -0.054) 1.560 13.280 ( -0.015 -6.899 3.299) 7.647 13.280 ( -0.015 6.899 3.299) 7.647 13.837 ( 0.064 -0.186 0.024) 0.198 13.837 ( 0.064 0.186 0.024) 0.198 ======================= Grid point 231 (122/160) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.022 ( 2.774 -2.124 -2.540) 4.319 1.022 ( 2.774 2.124 -2.540) 4.319 1.292 ( 5.181 -1.371 -4.780) 7.181 1.292 ( 5.181 1.371 -4.780) 7.181 1.551 ( 2.758 -3.664 3.416) 5.718 1.551 ( 2.758 3.664 3.416) 5.718 1.913 ( 0.759 -3.370 -4.085) 5.350 1.913 ( 0.759 3.370 -4.085) 5.350 2.204 ( -6.593 -2.668 3.976) 8.148 2.204 ( -6.593 2.668 3.976) 8.148 2.572 ( 3.254 -0.720 -0.022) 3.333 2.572 ( 3.254 0.720 -0.022) 3.333 2.715 ( -2.944 -5.154 3.240) 6.763 2.715 ( -2.944 5.154 3.240) 6.763 3.043 ( -10.320 -5.081 -0.877) 11.536 3.043 ( -10.320 5.081 -0.877) 11.536 3.264 ( -1.771 -11.666 2.967) 12.167 3.264 ( -1.771 11.666 2.967) 12.167 3.501 ( -2.381 -2.481 1.695) 3.834 3.501 ( -2.381 2.481 1.695) 3.834 3.835 ( 3.094 -0.402 -5.717) 6.513 3.835 ( 3.094 0.402 -5.717) 6.513 4.238 ( -6.671 -4.675 0.175) 8.148 4.238 ( -6.671 4.675 0.175) 8.148 4.337 ( -7.620 -3.834 2.124) 8.790 4.337 ( -7.620 3.834 2.124) 8.790 4.601 ( 0.828 -0.383 -2.301) 2.475 4.601 ( 0.828 0.383 -2.301) 2.475 4.646 ( -0.725 -3.075 3.809) 4.948 4.646 ( -0.725 3.075 3.809) 4.948 4.865 ( 0.083 -6.927 6.155) 9.267 4.865 ( 0.083 6.927 6.155) 9.267 5.145 ( 6.892 -6.888 -4.805) 10.864 5.145 ( 6.892 6.888 -4.805) 10.864 5.340 ( 4.650 -1.385 -3.098) 5.757 5.340 ( 4.650 1.385 -3.098) 5.757 5.848 ( 2.238 -2.402 2.950) 4.413 5.848 ( 2.238 2.402 2.950) 4.413 6.046 ( -2.570 -3.733 -4.087) 6.103 6.046 ( -2.570 3.733 -4.087) 6.103 6.336 ( -0.485 -1.463 2.304) 2.772 6.336 ( -0.485 1.463 2.304) 2.772 6.459 ( -0.792 -1.859 0.073) 2.022 6.459 ( -0.792 1.859 0.073) 2.022 6.945 ( 4.275 -3.310 -1.595) 5.636 6.945 ( 4.275 3.310 -1.595) 5.636 7.334 ( 3.077 -1.405 0.358) 3.402 7.334 ( 3.077 1.405 0.358) 3.402 10.895 ( 0.975 -0.589 -0.677) 1.325 10.895 ( 0.975 0.589 -0.677) 1.325 11.305 ( -2.960 -2.749 -1.333) 4.254 11.305 ( -2.960 2.749 -1.333) 4.254 11.363 ( 2.107 -2.985 -0.805) 3.742 11.363 ( 2.107 2.985 -0.805) 3.742 11.726 ( 6.947 -4.670 0.623) 8.393 11.726 ( 6.947 4.670 0.623) 8.393 13.230 ( -9.330 -4.616 1.501) 10.517 13.230 ( -9.330 4.616 1.501) 10.517 13.842 ( 0.421 -0.276 -0.005) 0.503 13.842 ( 0.421 0.276 -0.005) 0.503 ======================= Grid point 233 (123/160) ======================= q-point: ( 0.20 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 3.452 -2.572 -2.655) 5.057 1.022 ( 3.452 2.572 -2.655) 5.057 1.404 ( 7.126 -3.611 3.160) 8.590 1.404 ( 7.126 3.611 3.160) 8.590 1.620 ( 5.130 -0.927 -2.449) 5.760 1.620 ( 5.130 0.927 -2.449) 5.760 1.886 ( -1.949 -1.021 0.862) 2.363 1.886 ( -1.949 1.021 0.862) 2.363 2.140 ( -3.207 -2.987 -1.339) 4.583 2.140 ( -3.207 2.987 -1.339) 4.583 2.561 ( -3.355 -5.199 -3.867) 7.296 2.561 ( -3.355 5.199 -3.867) 7.296 2.724 ( -0.459 -0.533 6.394) 6.432 2.724 ( -0.459 0.533 6.394) 6.432 2.894 ( -9.000 -6.159 2.680) 11.230 2.894 ( -9.000 6.159 2.680) 11.230 3.232 ( -4.476 -10.993 -0.642) 11.887 3.232 ( -4.476 10.993 -0.642) 11.887 3.434 ( -6.121 -2.942 0.595) 6.817 3.434 ( -6.121 2.942 0.595) 6.817 3.785 ( -4.229 -0.811 -3.843) 5.772 3.785 ( -4.229 0.811 -3.843) 5.772 4.071 ( -6.360 -6.006 -8.589) 12.259 4.071 ( -6.360 6.006 -8.589) 12.259 4.232 ( -8.614 -9.419 4.586) 13.564 4.232 ( -8.614 9.419 4.586) 13.564 4.511 ( -5.491 -5.396 -4.140) 8.742 4.511 ( -5.491 5.396 -4.140) 8.742 4.758 ( 7.363 -4.018 1.439) 8.511 4.758 ( 7.363 4.018 1.439) 8.511 4.963 ( 3.234 -7.210 6.906) 10.494 4.963 ( 3.234 7.210 6.906) 10.494 5.185 ( 2.867 -5.381 -2.618) 6.635 5.185 ( 2.867 5.381 -2.618) 6.635 5.426 ( 7.734 -0.269 -0.711) 7.772 5.426 ( 7.734 0.269 -0.711) 7.772 5.896 ( 2.391 -4.026 -4.583) 6.552 5.896 ( 2.391 4.026 -4.583) 6.552 5.996 ( -1.754 -3.160 5.801) 6.834 5.996 ( -1.754 3.160 5.801) 6.834 6.351 ( -1.388 -1.019 1.915) 2.575 6.351 ( -1.388 1.019 1.915) 2.575 6.456 ( 0.829 -1.015 0.295) 1.344 6.456 ( 0.829 1.015 0.295) 1.344 7.003 ( 4.768 -3.428 -1.537) 6.070 7.003 ( 4.768 3.428 -1.537) 6.070 7.400 ( 4.734 -2.971 0.190) 5.592 7.400 ( 4.734 2.971 0.190) 5.592 10.903 ( 1.346 -0.980 -1.016) 1.950 10.903 ( 1.346 0.980 -1.016) 1.950 11.244 ( -1.859 -1.394 -0.371) 2.354 11.244 ( -1.859 1.394 -0.371) 2.354 11.426 ( 4.012 -2.886 1.570) 5.185 11.426 ( 4.012 2.886 1.570) 5.185 11.866 ( 9.053 -8.476 0.542) 12.413 11.866 ( 9.053 8.476 0.542) 12.413 13.033 ( -15.566 -5.413 -0.598) 16.491 13.033 ( -15.566 5.413 -0.598) 16.491 13.845 ( -0.035 -0.500 -0.096) 0.511 13.845 ( -0.035 0.500 -0.096) 0.511 ======================= Grid point 235 (124/160) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.112 ( 5.075 -5.581 5.236) 9.183 1.112 ( 5.075 5.581 5.236) 9.183 1.508 ( 2.734 -7.333 -1.154) 7.911 1.508 ( 2.734 7.333 -1.154) 7.911 1.673 ( 6.973 -1.374 -3.061) 7.738 1.673 ( 6.973 1.374 -3.061) 7.738 1.852 ( -1.564 -2.479 -3.887) 4.868 1.852 ( -1.564 2.479 -3.887) 4.868 2.088 ( 0.631 -4.265 -0.890) 4.402 2.088 ( 0.631 4.265 -0.890) 4.402 2.474 ( -6.258 -5.317 2.484) 8.579 2.474 ( -6.258 5.317 2.484) 8.579 2.730 ( -6.955 -5.971 3.804) 9.925 2.730 ( -6.955 5.971 3.804) 9.925 2.851 ( -2.213 -4.619 4.057) 6.534 2.851 ( -2.213 4.619 4.057) 6.534 3.134 ( -4.383 -8.367 -0.909) 9.489 3.134 ( -4.383 8.367 -0.909) 9.489 3.354 ( -5.984 -3.208 2.094) 7.105 3.354 ( -5.984 3.208 2.094) 7.105 3.619 ( -7.742 -3.954 -5.890) 10.500 3.619 ( -7.742 3.954 -5.890) 10.500 3.898 ( -3.299 -2.264 -9.178) 10.012 3.898 ( -3.299 2.264 -9.178) 10.012 4.170 ( -5.993 -5.682 3.574) 8.998 4.170 ( -5.993 5.682 3.574) 8.998 4.371 ( -2.769 -6.319 -8.303) 10.795 4.371 ( -2.769 6.319 -8.303) 10.795 4.851 ( 2.654 -5.468 0.986) 6.158 4.851 ( 2.654 5.468 0.986) 6.158 5.083 ( 3.921 -4.600 1.095) 6.143 5.083 ( 3.921 4.600 1.095) 6.143 5.194 ( 1.215 -1.898 -0.135) 2.257 5.194 ( 1.215 1.898 -0.135) 2.257 5.546 ( 7.159 -1.642 1.421) 7.481 5.546 ( 7.159 1.642 1.421) 7.481 5.848 ( -1.693 -2.989 -2.537) 4.271 5.848 ( -1.693 2.989 -2.537) 4.271 6.094 ( 2.759 -4.911 7.601) 9.461 6.094 ( 2.759 4.911 7.601) 9.461 6.337 ( -1.883 -0.239 1.273) 2.286 6.337 ( -1.883 0.239 1.273) 2.286 6.488 ( 1.905 -0.221 0.684) 2.036 6.488 ( 1.905 0.221 0.684) 2.036 7.050 ( 3.401 -1.905 -2.126) 4.440 7.050 ( 3.401 1.905 -2.126) 4.440 7.485 ( 4.838 -3.296 1.329) 6.003 7.485 ( 4.838 3.296 1.329) 6.003 10.922 ( 2.019 -1.679 -0.191) 2.633 10.922 ( 2.019 1.679 -0.191) 2.633 11.246 ( -0.213 -0.573 3.283) 3.339 11.246 ( -0.213 0.573 3.283) 3.339 11.514 ( 5.766 -3.217 0.250) 6.607 11.514 ( 5.766 3.217 0.250) 6.607 12.002 ( 7.708 -12.676 -0.375) 14.840 12.002 ( 7.708 12.676 -0.375) 14.840 12.747 ( -17.935 -8.796 -2.200) 20.097 12.747 ( -17.935 8.796 -2.200) 20.097 13.839 ( -0.484 -0.532 -0.326) 0.789 13.839 ( -0.484 0.532 -0.326) 0.789 ======================= Grid point 237 (125/160) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.298 -4.656 4.263) 6.320 1.218 ( 0.298 4.656 4.263) 6.320 1.424 ( -5.624 -4.238 -9.127) 11.528 1.424 ( -5.624 4.238 -9.127) 11.528 1.757 ( 2.483 -2.065 -6.373) 7.144 1.757 ( 2.483 2.065 -6.373) 7.144 1.851 ( 11.602 -5.803 2.912) 13.295 1.851 ( 11.602 5.803 2.912) 13.295 2.193 ( 8.257 -0.773 5.320) 9.853 2.193 ( 8.257 0.773 5.320) 9.853 2.365 ( -11.004 -8.142 3.719) 14.185 2.365 ( -11.004 8.142 3.719) 14.185 2.669 ( -6.029 -5.020 2.067) 8.113 2.669 ( -6.029 5.020 2.067) 8.113 2.812 ( -5.152 -3.387 2.155) 6.532 2.812 ( -5.152 3.387 2.155) 6.532 3.111 ( -0.129 -6.316 0.029) 6.317 3.111 ( -0.129 6.316 0.029) 6.317 3.291 ( -4.711 -3.526 2.882) 6.552 3.291 ( -4.711 3.526 2.882) 6.552 3.484 ( -0.877 -2.830 -6.008) 6.699 3.484 ( -0.877 2.830 -6.008) 6.699 3.755 ( -2.971 -0.584 -7.552) 8.136 3.755 ( -2.971 0.584 -7.552) 8.136 4.087 ( -6.915 -5.071 -0.053) 8.575 4.087 ( -6.915 5.071 -0.053) 8.575 4.273 ( 1.751 -3.681 -8.244) 9.196 4.273 ( 1.751 3.681 -8.244) 9.196 4.884 ( 1.132 -8.019 0.497) 8.114 4.884 ( 1.132 8.019 0.497) 8.114 5.085 ( -0.939 -4.790 -2.223) 5.364 5.085 ( -0.939 4.790 -2.223) 5.364 5.221 ( 2.189 -1.123 -1.639) 2.956 5.221 ( 2.189 1.123 -1.639) 2.956 5.679 ( 5.835 -1.695 2.885) 6.727 5.679 ( 5.835 1.695 2.885) 6.727 5.801 ( -2.499 -0.121 0.035) 2.503 5.801 ( -2.499 0.121 0.035) 2.503 6.217 ( 2.076 -3.266 7.055) 8.047 6.217 ( 2.076 3.266 7.055) 8.047 6.336 ( -0.824 -0.923 3.046) 3.287 6.336 ( -0.824 0.923 3.046) 3.287 6.517 ( 1.076 -1.826 0.020) 2.120 6.517 ( 1.076 1.826 0.020) 2.120 7.061 ( 1.485 -1.474 -2.839) 3.527 7.061 ( 1.485 1.474 -2.839) 3.527 7.571 ( 3.199 -2.487 2.236) 4.628 7.571 ( 3.199 2.487 2.236) 4.628 10.962 ( 2.117 -1.567 1.159) 2.878 10.962 ( 2.117 1.567 1.159) 2.878 11.297 ( 0.268 -0.714 5.528) 5.580 11.297 ( 0.268 0.714 5.528) 5.580 11.605 ( 5.741 -3.840 -0.787) 6.952 11.605 ( 5.741 3.840 -0.787) 6.952 12.094 ( 5.847 -19.174 -2.782) 20.238 12.094 ( 5.847 19.174 -2.782) 20.238 12.450 ( -15.455 -14.693 -2.060) 21.423 12.450 ( -15.455 14.693 -2.060) 21.423 13.826 ( -0.476 -0.390 -0.544) 0.821 13.826 ( -0.476 0.390 -0.544) 0.821 ======================= Grid point 239 (126/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.197 ( -4.575 -3.845 -9.161) 10.938 1.197 ( -4.575 3.845 -9.162) 10.938 1.251 ( -2.129 -2.703 1.448) 3.733 1.251 ( -2.129 2.703 1.448) 3.733 1.734 ( 3.514 -0.375 -6.734) 7.605 1.734 ( 3.514 0.375 -6.734) 7.605 2.080 ( 5.795 -9.134 8.579) 13.807 2.080 ( 5.795 9.134 8.579) 13.807 2.232 ( -3.660 -6.765 2.694) 8.150 2.232 ( -3.660 6.765 2.694) 8.150 2.470 ( 6.537 -3.075 8.117) 10.866 2.470 ( 6.537 3.075 8.117) 10.866 2.563 ( -1.889 -1.588 1.068) 2.689 2.563 ( -1.889 1.588 1.068) 2.689 2.778 ( -1.650 -5.454 -1.311) 5.847 2.778 ( -1.650 5.454 -1.311) 5.847 3.068 ( -2.557 -4.860 -3.810) 6.683 3.068 ( -2.557 4.860 -3.810) 6.683 3.257 ( -4.555 -5.460 1.002) 7.181 3.257 ( -4.555 5.460 1.002) 7.181 3.437 ( 5.053 -2.176 -6.454) 8.480 3.437 ( 5.053 2.176 -6.454) 8.480 3.695 ( 0.390 -5.309 1.124) 5.441 3.695 ( 0.390 5.309 1.124) 5.441 3.979 ( -2.661 -6.442 -4.440) 8.264 3.979 ( -2.661 6.442 -4.440) 8.264 4.226 ( 1.366 -0.905 -5.627) 5.861 4.226 ( 1.366 0.905 -5.627) 5.861 4.906 ( 0.275 -6.327 1.239) 6.453 4.906 ( 0.275 6.327 1.239) 6.453 5.045 ( -0.524 -5.210 -1.945) 5.585 5.045 ( -0.524 5.210 -1.945) 5.585 5.222 ( 1.213 -2.436 -2.584) 3.752 5.222 ( 1.213 2.436 -2.584) 3.752 5.760 ( -1.304 -0.879 1.580) 2.229 5.760 ( -1.304 0.879 1.580) 2.229 5.777 ( 1.488 -1.330 0.511) 2.060 5.777 ( 1.488 1.330 0.511) 2.060 6.289 ( -0.916 -1.892 3.852) 4.388 6.289 ( -0.916 1.892 3.852) 4.388 6.382 ( -0.168 -1.912 6.267) 6.555 6.382 ( -0.168 1.912 6.267) 6.555 6.517 ( -0.579 -3.058 -0.966) 3.259 6.517 ( -0.579 3.058 -0.966) 3.259 7.044 ( 0.401 -2.211 -2.604) 3.439 7.044 ( 0.401 2.211 -2.604) 3.439 7.623 ( 0.225 -1.327 1.873) 2.306 7.623 ( 0.225 1.327 1.873) 2.306 11.003 ( 0.905 -0.669 1.393) 1.791 11.003 ( 0.905 0.669 1.393) 1.791 11.356 ( -0.442 -1.739 4.485) 4.830 11.356 ( -0.442 1.739 4.485) 4.830 11.662 ( 0.376 -2.952 1.709) 3.432 11.662 ( 0.376 2.952 1.709) 3.432 12.090 ( -0.211 -8.312 -8.464) 11.865 12.090 ( -0.211 8.312 -8.464) 11.865 12.298 ( -0.461 -6.098 1.776) 6.368 12.298 ( -0.461 6.098 1.776) 6.368 13.815 ( -0.017 -0.108 -0.517) 0.529 13.815 ( -0.017 0.108 -0.517) 0.529 ======================= Grid point 241 (127/160) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -2.409 -1.039 -1.560) 3.052 1.068 ( -2.409 1.039 -1.560) 3.052 1.271 ( 1.911 -3.276 1.205) 3.979 1.271 ( 1.911 3.276 1.205) 3.979 1.709 ( 1.082 -4.687 -4.547) 6.619 1.709 ( 1.082 4.687 -4.547) 6.619 2.165 ( -1.829 -3.210 1.703) 4.068 2.165 ( -1.829 3.210 1.703) 4.068 2.299 ( 2.446 -8.212 2.947) 9.061 2.299 ( 2.446 8.212 2.947) 9.061 2.413 ( -6.318 -2.159 6.298) 9.178 2.413 ( -6.318 2.159 6.298) 9.178 2.671 ( -1.908 -2.159 -8.953) 9.405 2.671 ( -1.908 2.159 -8.953) 9.405 2.811 ( 12.475 -2.068 2.408) 12.873 2.811 ( 12.475 2.068 2.408) 12.873 3.018 ( 1.846 -4.376 0.175) 4.752 3.018 ( 1.846 4.376 0.175) 4.752 3.184 ( -2.673 -4.838 -0.330) 5.538 3.184 ( -2.673 4.838 -0.330) 5.538 3.537 ( 10.312 -2.186 -1.136) 10.603 3.537 ( 10.312 2.186 -1.136) 10.603 3.723 ( -0.217 -7.348 1.438) 7.490 3.723 ( -0.217 7.348 1.438) 7.490 3.939 ( 3.689 -4.929 -3.622) 7.143 3.939 ( 3.689 4.929 -3.622) 7.143 4.196 ( 0.830 -3.596 -2.156) 4.274 4.196 ( 0.830 3.596 -2.156) 4.274 4.900 ( -2.253 -0.358 0.190) 2.289 4.900 ( -2.253 0.358 0.190) 2.289 5.048 ( 2.225 -1.676 -0.178) 2.791 5.048 ( 2.225 1.676 -0.178) 2.791 5.215 ( 1.178 -3.471 -1.799) 4.083 5.215 ( 1.178 3.471 -1.799) 4.083 5.725 ( -3.896 -0.654 0.689) 4.010 5.725 ( -3.896 0.654 0.689) 4.010 5.806 ( 0.600 -0.998 0.324) 1.208 5.806 ( 0.600 0.998 0.324) 1.208 6.281 ( -3.435 -3.290 1.768) 5.075 6.281 ( -3.435 3.290 1.768) 5.075 6.429 ( -2.352 -2.978 4.121) 5.602 6.429 ( -2.352 2.978 4.121) 5.602 6.487 ( -1.001 -1.644 -0.973) 2.157 6.487 ( -1.001 1.644 -0.973) 2.157 7.025 ( 0.046 -3.020 -1.369) 3.316 7.025 ( 0.046 3.020 -1.369) 3.316 7.613 ( -3.198 -1.909 0.635) 3.778 7.613 ( -3.198 1.909 0.635) 3.778 11.009 ( -1.227 -0.795 -0.097) 1.465 11.009 ( -1.227 0.795 -0.097) 1.465 11.362 ( -2.801 -3.413 1.398) 4.631 11.362 ( -2.801 3.413 1.398) 4.631 11.660 ( -3.340 -4.221 2.993) 6.158 11.660 ( -3.340 4.221 2.993) 6.158 11.982 ( -3.076 -17.053 -3.919) 17.765 11.982 ( -3.076 17.053 -3.919) 17.765 12.418 ( 12.257 -16.444 -0.057) 20.509 12.418 ( 12.257 16.444 -0.057) 20.509 13.816 ( 0.562 -0.260 -0.223) 0.658 13.816 ( 0.562 0.260 -0.223) 0.658 ======================= Grid point 243 (128/160) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.070 ( -1.296 -2.706 4.985) 5.818 1.070 ( -1.296 2.706 4.985) 5.818 1.347 ( 4.647 -5.333 3.346) 7.824 1.347 ( 4.647 5.333 3.346) 7.824 1.666 ( -2.522 -8.082 -2.830) 8.927 1.666 ( -2.522 8.082 -2.830) 8.927 2.015 ( -6.906 -5.626 -10.159) 13.511 2.015 ( -6.906 5.626 -10.159) 13.511 2.250 ( -1.752 -1.486 -9.168) 9.451 2.250 ( -1.752 1.486 -9.168) 9.451 2.499 ( -1.626 -3.921 12.466) 13.169 2.499 ( -1.626 3.921 12.466) 13.169 2.658 ( 3.649 -5.140 4.624) 7.818 2.658 ( 3.649 5.140 4.624) 7.818 2.966 ( 10.081 -1.200 -2.395) 10.431 2.966 ( 10.081 1.200 -2.395) 10.431 3.105 ( 5.335 -0.726 0.543) 5.412 3.105 ( 5.335 0.726 0.543) 5.412 3.211 ( 4.946 -5.688 2.468) 7.932 3.211 ( 4.946 5.688 2.468) 7.932 3.608 ( 2.317 -2.455 -4.958) 5.998 3.608 ( 2.317 2.455 -4.958) 5.998 3.770 ( 4.333 -5.339 -0.530) 6.896 3.770 ( 4.333 5.339 -0.530) 6.896 4.018 ( 6.781 -9.479 4.048) 12.338 4.018 ( 6.781 9.479 4.048) 12.338 4.229 ( 4.569 -4.518 0.548) 6.449 4.229 ( 4.569 4.518 0.548) 6.449 4.853 ( -3.401 -3.728 -0.050) 5.046 4.853 ( -3.401 3.728 -0.050) 5.046 5.089 ( 2.207 -3.201 0.436) 3.912 5.089 ( 2.207 3.201 0.436) 3.912 5.222 ( 1.598 -3.650 -1.400) 4.223 5.222 ( 1.598 3.650 -1.400) 4.223 5.642 ( -6.741 -0.825 -1.010) 6.866 5.642 ( -6.741 0.825 -1.010) 6.866 5.804 ( -1.529 -1.161 0.911) 2.125 5.804 ( -1.529 1.161 0.911) 2.125 6.236 ( -3.266 -4.860 0.168) 5.858 6.236 ( -3.266 4.860 0.168) 5.858 6.393 ( -2.401 -1.100 -0.959) 2.809 6.393 ( -2.401 1.100 -0.959) 2.809 6.478 ( -1.442 -1.728 1.519) 2.715 6.478 ( -1.442 1.728 1.519) 2.715 7.010 ( -0.915 -4.473 -0.527) 4.596 7.010 ( -0.915 4.473 -0.527) 4.596 7.538 ( -6.085 -3.430 -0.538) 7.005 7.538 ( -6.085 3.430 -0.538) 7.005 10.965 ( -2.725 -1.802 -1.595) 3.636 10.965 ( -2.725 1.802 -1.595) 3.636 11.319 ( -3.322 -2.755 0.755) 4.381 11.319 ( -3.322 2.755 0.755) 4.381 11.621 ( -1.550 -3.915 -3.260) 5.325 11.621 ( -1.550 3.915 -3.260) 5.325 11.911 ( -5.628 -14.657 2.755) 15.941 11.911 ( -5.628 14.657 2.755) 15.941 12.653 ( 16.272 -15.939 0.872) 22.794 12.653 ( 16.272 15.939 0.872) 22.794 13.826 ( 0.743 -0.561 0.084) 0.935 13.826 ( 0.743 0.561 0.084) 0.935 ======================= Grid point 245 (129/160) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.468 -2.156 2.319) 3.490 1.095 ( -1.468 2.156 2.319) 3.490 1.448 ( 0.324 -4.478 3.559) 5.729 1.448 ( 0.324 4.478 3.559) 5.729 1.510 ( -6.326 -2.785 -8.363) 10.850 1.510 ( -6.326 2.785 -8.363) 10.850 1.940 ( 4.916 -2.391 0.877) 5.537 1.940 ( 4.916 2.391 0.877) 5.537 2.134 ( -0.515 -4.429 -6.948) 8.256 2.134 ( -0.515 4.429 -6.948) 8.256 2.510 ( -6.152 -7.177 2.372) 9.746 2.510 ( -6.152 7.177 2.372) 9.746 2.780 ( -0.473 -5.581 8.255) 9.975 2.780 ( -0.473 5.581 8.255) 9.975 3.110 ( 6.512 -2.642 2.772) 7.555 3.110 ( 6.512 2.642 2.772) 7.555 3.200 ( 10.444 -2.871 -7.209) 13.012 3.200 ( 10.444 2.871 -7.209) 13.012 3.337 ( 6.680 -6.839 2.091) 9.786 3.337 ( 6.680 6.839 2.091) 9.786 3.618 ( 5.266 -6.290 -0.534) 8.220 3.618 ( 5.266 6.290 -0.534) 8.220 3.799 ( -0.295 -5.943 3.632) 6.971 3.799 ( -0.295 5.943 3.632) 6.971 4.213 ( 10.164 -9.880 4.183) 14.779 4.213 ( 10.164 9.880 4.183) 14.779 4.337 ( 6.887 -6.432 1.582) 9.555 4.337 ( 6.887 6.432 1.582) 9.555 4.794 ( -4.645 -4.924 0.798) 6.816 4.794 ( -4.645 4.924 0.798) 6.816 5.113 ( -0.639 -4.416 0.044) 4.462 5.113 ( -0.639 4.416 0.044) 4.462 5.210 ( -0.557 -4.250 -3.535) 5.556 5.210 ( -0.557 4.250 -3.535) 5.556 5.502 ( -7.036 -1.589 -2.500) 7.634 5.502 ( -7.036 1.589 -2.500) 7.634 5.787 ( -2.353 -0.164 1.798) 2.966 5.787 ( -2.353 0.164 1.798) 2.966 6.179 ( -2.198 -4.396 -2.405) 5.472 6.179 ( -2.198 4.396 -2.405) 5.472 6.376 ( 1.111 -1.773 -0.152) 2.098 6.376 ( 1.111 1.773 -0.152) 2.098 6.464 ( -1.941 -3.143 0.920) 3.807 6.464 ( -1.941 3.143 0.920) 3.807 6.978 ( -2.326 -4.503 -0.799) 5.131 6.978 ( -2.326 4.503 -0.799) 5.131 7.424 ( -6.915 -4.127 -0.569) 8.073 7.424 ( -6.915 4.127 -0.569) 8.073 10.907 ( -2.039 -1.855 -1.264) 3.032 10.907 ( -2.039 1.855 -1.264) 3.032 11.285 ( -1.427 -2.036 -0.003) 2.486 11.285 ( -1.427 2.036 -0.003) 2.486 11.549 ( -0.896 -2.278 -5.649) 6.156 11.549 ( -0.896 2.278 -5.649) 6.156 11.843 ( -7.137 -10.949 2.587) 13.323 11.843 ( -7.137 10.949 2.587) 13.323 12.928 ( 14.934 -13.012 3.091) 20.048 12.928 ( 14.934 13.012 3.091) 20.048 13.837 ( 0.307 -0.683 0.199) 0.775 13.837 ( 0.307 0.683 0.199) 0.775 ======================= Grid point 247 (130/160) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.046 ( -1.320 -3.477 -6.208) 7.237 1.046 ( -1.320 3.477 -6.208) 7.237 1.361 ( -3.216 -1.877 1.182) 3.907 1.361 ( -3.216 1.877 1.182) 3.907 1.484 ( 0.343 -8.770 -1.864) 8.973 1.484 ( 0.343 8.770 -1.864) 8.973 1.990 ( -0.058 -4.433 -3.333) 5.547 1.990 ( -0.058 4.433 -3.333) 5.547 2.189 ( 8.810 -1.599 3.258) 9.528 2.189 ( 8.810 1.599 3.258) 9.528 2.422 ( -6.270 -7.113 3.697) 10.177 2.422 ( -6.270 7.113 3.697) 10.177 2.792 ( -4.269 -7.005 1.603) 8.359 2.792 ( -4.269 7.005 1.603) 8.359 3.205 ( 0.294 -5.446 4.636) 7.158 3.205 ( 0.294 5.446 4.636) 7.158 3.237 ( 4.317 -7.465 -6.131) 10.581 3.237 ( 4.317 7.465 -6.131) 10.581 3.436 ( 4.002 -12.044 -0.451) 12.699 3.436 ( 4.002 12.044 -0.451) 12.699 3.733 ( 6.437 -5.832 0.719) 8.716 3.733 ( 6.437 5.832 0.719) 8.716 3.938 ( 8.804 -9.163 10.518) 16.495 3.938 ( 8.804 9.163 10.518) 16.495 4.385 ( 6.701 -6.741 0.788) 9.538 4.385 ( 6.701 6.741 0.788) 9.538 4.465 ( 5.640 -7.905 3.432) 10.299 4.465 ( 5.640 7.905 3.432) 10.299 4.731 ( -3.485 -5.168 0.730) 6.276 4.731 ( -3.485 5.168 0.730) 6.276 4.996 ( -13.214 -7.294 0.064) 15.094 4.996 ( -13.214 7.294 0.064) 15.094 5.166 ( 1.901 -6.494 -6.299) 9.245 5.166 ( 1.901 6.494 -6.299) 9.245 5.402 ( -1.934 -0.721 -3.451) 4.022 5.402 ( -1.934 0.721 -3.451) 4.022 5.775 ( -1.671 -3.542 2.477) 4.634 5.775 ( -1.671 3.542 2.477) 4.634 6.134 ( 0.656 -1.861 -3.297) 3.843 6.134 ( 0.656 1.861 -3.297) 3.843 6.390 ( -0.568 -1.489 -0.682) 1.733 6.390 ( -0.568 1.489 -0.682) 1.733 6.448 ( -0.425 -2.853 0.982) 3.047 6.448 ( -0.425 2.853 0.982) 3.047 6.929 ( -1.749 -3.963 -1.320) 4.528 6.929 ( -1.749 3.963 -1.320) 4.528 7.330 ( -4.475 -3.292 0.578) 5.585 7.330 ( -4.475 3.292 0.578) 5.585 10.881 ( -0.322 -1.884 -0.209) 1.922 10.881 ( -0.322 1.884 -0.209) 1.922 11.276 ( 0.614 -1.608 -0.416) 1.771 11.276 ( 0.614 1.608 -0.416) 1.771 11.483 ( -0.175 -2.233 -4.970) 5.452 11.483 ( -0.175 2.233 -4.970) 5.452 11.742 ( -6.811 -7.471 -0.071) 10.109 11.742 ( -6.811 7.471 -0.071) 10.109 13.164 ( 9.171 -9.997 4.015) 14.148 13.164 ( 9.171 9.997 4.015) 14.148 13.839 ( -0.220 -0.519 0.140) 0.581 13.839 ( -0.220 0.519 0.140) 0.581 ======================= Grid point 279 (131/160) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.927 ( 8.178 0.000 -12.745) 15.143 0.927 ( -8.178 0.000 12.745) 15.143 1.170 ( 3.279 0.000 -18.536) 18.823 1.170 ( -3.279 0.000 18.536) 18.823 1.212 ( -2.846 0.000 -3.805) 4.752 1.212 ( 2.846 0.000 3.805) 4.752 1.857 ( -2.735 0.000 -12.350) 12.649 1.857 ( 2.735 0.000 12.350) 12.649 2.264 ( -0.300 0.000 -17.442) 17.444 2.264 ( 0.300 0.000 17.442) 17.444 2.542 ( -8.502 0.000 2.729) 8.929 2.542 ( 8.502 0.000 -2.729) 8.929 2.999 ( 1.871 0.000 -4.702) 5.060 2.999 ( -1.871 0.000 4.702) 5.060 3.234 ( 1.820 0.000 -10.984) 11.133 3.234 ( -1.820 0.000 10.984) 11.133 3.378 ( 7.352 0.000 -6.234) 9.639 3.378 ( -7.352 0.000 6.234) 9.639 3.518 ( -9.130 0.000 2.237) 9.400 3.518 ( 9.130 0.000 -2.237) 9.400 3.772 ( -2.060 0.000 -13.836) 13.988 3.772 ( 2.060 0.000 13.836) 13.988 4.059 ( 5.745 0.000 -12.099) 13.394 4.059 ( -5.745 0.000 12.099) 13.394 4.126 ( 2.177 0.000 -5.746) 6.145 4.126 ( -2.177 0.000 5.746) 6.145 4.285 ( -8.562 0.000 -5.001) 9.916 4.285 ( 8.562 0.000 5.001) 9.916 4.604 ( -7.748 0.000 -3.905) 8.676 4.604 ( 7.748 0.000 3.905) 8.676 5.045 ( 1.628 0.000 -3.285) 3.666 5.045 ( -1.628 0.000 3.285) 3.666 5.079 ( -0.959 0.000 -0.351) 1.022 5.079 ( 0.959 0.000 0.351) 1.022 5.569 ( 3.111 0.000 -6.876) 7.547 5.569 ( -3.111 0.000 6.876) 7.547 5.785 ( 0.610 0.000 -2.394) 2.470 5.785 ( -0.610 0.000 2.394) 2.470 6.258 ( -0.096 0.000 -6.619) 6.619 6.258 ( 0.096 0.000 6.619) 6.619 6.523 ( 1.240 0.000 -2.250) 2.569 6.523 ( -1.240 0.000 2.250) 2.569 6.665 ( -2.405 0.000 -2.430) 3.419 6.665 ( 2.405 0.000 2.430) 3.419 6.835 ( 4.738 0.000 -7.553) 8.916 6.835 ( -4.738 0.000 7.553) 8.916 7.054 ( -7.575 0.000 -2.731) 8.052 7.054 ( 7.575 0.000 2.731) 8.052 10.873 ( 1.368 0.000 -4.505) 4.708 10.873 ( -1.368 0.000 4.505) 4.708 11.218 ( 2.022 0.000 -4.730) 5.144 11.218 ( -2.022 0.000 4.730) 5.144 11.345 ( -2.038 0.000 0.438) 2.084 11.345 ( 2.038 0.000 -0.438) 2.084 11.841 ( -10.886 0.000 0.407) 10.894 11.841 ( 10.886 0.000 -0.407) 10.894 13.162 ( 10.160 0.000 -15.070) 18.175 13.162 ( -10.160 0.000 15.070) 18.175 13.827 ( -0.543 0.000 -0.701) 0.887 13.827 ( 0.543 0.000 0.701) 0.887 ======================= Grid point 281 (132/160) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.925 ( -6.690 0.000 4.124) 7.859 0.972 ( 14.620 0.000 -14.006) 20.247 1.031 ( 5.292 0.000 -16.257) 17.097 1.225 ( 6.427 0.000 1.979) 6.725 1.264 ( 1.009 0.000 6.697) 6.773 1.397 ( 4.883 0.000 13.228) 14.100 1.592 ( 0.020 0.000 -25.573) 25.573 1.943 ( -7.180 0.000 7.591) 10.449 2.094 ( -1.798 0.000 -3.354) 3.805 2.224 ( -6.560 0.000 6.917) 9.533 2.733 ( -1.479 0.000 10.971) 11.071 2.769 ( 7.826 0.000 3.866) 8.729 2.972 ( -4.490 0.000 -0.885) 4.576 2.983 ( 6.369 0.000 -1.930) 6.655 3.143 ( -0.160 0.000 -4.790) 4.792 3.270 ( -12.596 0.000 9.863) 15.998 3.278 ( -5.533 0.000 1.884) 5.845 3.348 ( -2.469 0.000 -1.676) 2.984 3.454 ( -6.868 0.000 -12.722) 14.457 3.474 ( 0.797 0.000 -2.292) 2.426 3.706 ( 16.667 0.000 -5.405) 17.522 3.723 ( -11.370 0.000 -1.296) 11.444 4.025 ( 5.054 0.000 -13.008) 13.956 4.063 ( -5.852 0.000 6.650) 8.858 4.118 ( -7.869 0.000 1.691) 8.049 4.168 ( 5.106 0.000 -0.548) 5.135 4.241 ( -0.523 0.000 10.641) 10.654 4.463 ( 5.100 0.000 5.542) 7.532 4.500 ( 0.230 0.000 -4.178) 4.185 4.804 ( 9.049 0.000 5.157) 10.416 4.989 ( -0.436 0.000 -7.497) 7.510 5.022 ( -2.066 0.000 -0.745) 2.196 5.058 ( -2.065 0.000 0.222) 2.077 5.101 ( 0.831 0.000 1.025) 1.320 5.529 ( 1.456 0.000 -7.735) 7.871 5.595 ( -2.244 0.000 6.157) 6.553 5.775 ( 1.375 0.000 -2.545) 2.892 5.814 ( 1.255 0.000 2.182) 2.517 6.234 ( 2.842 0.000 -1.135) 3.060 6.339 ( 0.098 0.000 6.189) 6.189 6.441 ( -9.049 0.000 -2.461) 9.378 6.497 ( -5.103 0.000 2.855) 5.847 6.575 ( -5.869 0.000 0.977) 5.949 6.604 ( -11.283 0.000 4.188) 12.035 6.833 ( 4.662 0.000 -9.085) 10.212 6.962 ( 8.932 0.000 5.045) 10.258 6.993 ( 6.821 0.000 -4.147) 7.983 7.199 ( 7.203 0.000 1.194) 7.302 10.865 ( 2.210 0.000 -2.337) 3.216 10.917 ( -0.570 0.000 6.108) 6.134 11.205 ( 1.902 0.000 -3.005) 3.557 11.234 ( -2.687 0.000 4.596) 5.324 11.295 ( -3.283 0.000 -2.139) 3.918 11.360 ( 0.367 0.000 -0.144) 0.394 11.695 ( -8.038 0.000 2.576) 8.440 11.955 ( 1.601 0.000 -0.244) 1.620 13.150 ( 9.830 0.000 -17.283) 19.883 13.209 ( -1.246 0.000 13.302) 13.360 13.814 ( 0.171 0.000 -1.008) 1.022 13.843 ( 0.857 0.000 0.022) 0.857 ======================= Grid point 282 (133/160) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.862 ( -7.292 0.000 8.905) 11.509 0.948 ( 5.213 0.000 -21.987) 22.596 0.988 ( 8.538 0.000 -11.155) 14.048 1.356 ( 6.881 0.000 4.895) 8.444 1.412 ( 7.612 0.000 7.173) 10.460 1.573 ( 22.366 0.000 -12.758) 25.749 1.601 ( 3.520 0.000 9.664) 10.285 1.849 ( -5.532 0.000 1.845) 5.831 2.073 ( -0.639 0.000 0.603) 0.879 2.304 ( -0.050 0.000 10.062) 10.063 2.533 ( -18.965 0.000 -5.852) 19.847 2.675 ( -16.501 0.000 -1.801) 16.599 2.868 ( -4.697 0.000 -3.420) 5.810 2.891 ( -3.465 0.000 -19.139) 19.450 3.111 ( -8.225 0.000 -8.703) 11.974 3.131 ( -3.319 0.000 1.029) 3.474 3.248 ( -5.024 0.000 8.208) 9.623 3.380 ( 2.000 0.000 8.364) 8.600 3.473 ( 3.318 0.000 -10.787) 11.286 3.540 ( 10.467 0.000 7.299) 12.761 3.562 ( -4.364 0.000 6.381) 7.731 3.866 ( 9.792 0.000 -9.236) 13.460 3.951 ( 0.243 0.000 0.443) 0.505 4.015 ( -6.682 0.000 2.470) 7.124 4.098 ( 2.596 0.000 0.993) 2.780 4.266 ( 6.342 0.000 1.097) 6.436 4.306 ( 0.186 0.000 3.823) 3.827 4.512 ( 5.659 0.000 -2.908) 6.362 4.527 ( 0.185 0.000 -1.393) 1.405 4.865 ( 2.444 0.000 -5.093) 5.649 4.968 ( -7.353 0.000 2.371) 7.726 4.996 ( 0.859 0.000 4.733) 4.810 5.023 ( 0.927 0.000 -2.465) 2.633 5.121 ( -1.118 0.000 2.511) 2.749 5.441 ( -1.369 0.000 -8.374) 8.485 5.624 ( -2.426 0.000 5.232) 5.767 5.777 ( 2.373 0.000 -2.430) 3.397 5.865 ( 2.155 0.000 0.255) 2.170 6.227 ( -6.519 0.000 -4.528) 7.938 6.306 ( 0.724 0.000 1.972) 2.101 6.369 ( -2.684 0.000 2.475) 3.651 6.411 ( -9.095 0.000 1.501) 9.218 6.470 ( -8.474 0.000 1.223) 8.562 6.493 ( -6.826 0.000 4.124) 7.975 6.879 ( 7.846 0.000 -2.831) 8.341 7.124 ( 11.908 0.000 -0.167) 11.909 7.155 ( 8.601 0.000 3.679) 9.355 7.303 ( 4.303 0.000 1.292) 4.493 10.880 ( 1.877 0.000 -1.706) 2.536 10.976 ( -0.747 0.000 5.987) 6.034 11.210 ( -1.983 0.000 -3.991) 4.457 11.216 ( 2.159 0.000 -0.912) 2.344 11.229 ( -2.188 0.000 2.118) 3.045 11.347 ( -2.899 0.000 1.354) 3.200 11.669 ( -1.947 0.000 6.890) 7.160 11.886 ( -5.997 0.000 -2.643) 6.554 13.102 ( 8.722 0.000 -17.810) 19.831 13.390 ( 2.942 0.000 12.363) 12.708 13.818 ( 1.339 0.000 -0.033) 1.339 13.853 ( 0.789 0.000 -0.493) 0.930 ======================= Grid point 283 (134/160) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.830 ( 9.497 0.000 -15.513) 18.189 0.919 ( -4.653 0.000 17.862) 18.458 1.072 ( 11.225 0.000 -2.461) 11.492 1.536 ( -2.760 0.000 9.806) 10.187 1.553 ( 7.569 0.000 1.255) 7.672 1.641 ( -1.435 0.000 -0.370) 1.482 1.825 ( 11.852 0.000 -2.966) 12.217 1.907 ( 7.931 0.000 -1.003) 7.995 2.094 ( 8.452 0.000 -4.242) 9.457 2.151 ( -13.917 0.000 -7.198) 15.668 2.322 ( -4.460 0.000 -3.533) 5.690 2.421 ( -11.132 0.000 3.105) 11.557 2.718 ( 1.161 0.000 -7.190) 7.284 2.777 ( -4.136 0.000 -0.481) 4.164 2.871 ( -8.289 0.000 -8.813) 12.099 3.052 ( -6.086 0.000 -3.840) 7.196 3.245 ( -3.024 0.000 4.587) 5.494 3.351 ( -1.142 0.000 -6.208) 6.312 3.462 ( 1.367 0.000 2.030) 2.447 3.624 ( -3.032 0.000 6.104) 6.815 3.672 ( 1.251 0.000 -3.823) 4.023 3.870 ( 2.714 0.000 -0.976) 2.884 3.943 ( -1.871 0.000 -1.132) 2.187 4.026 ( 2.468 0.000 1.183) 2.737 4.225 ( 9.383 0.000 3.098) 9.881 4.351 ( 2.787 0.000 -0.340) 2.808 4.384 ( 6.573 0.000 2.047) 6.884 4.490 ( -1.518 0.000 -0.373) 1.563 4.592 ( 5.426 0.000 0.164) 5.429 4.827 ( -13.067 0.000 3.255) 13.467 4.887 ( 0.630 0.000 0.717) 0.954 5.012 ( -1.625 0.000 -0.428) 1.681 5.070 ( 6.119 0.000 0.559) 6.145 5.120 ( -0.809 0.000 2.152) 2.299 5.322 ( -1.363 0.000 -8.222) 8.334 5.619 ( -4.465 0.000 3.778) 5.849 5.800 ( 3.172 0.000 -1.601) 3.553 5.829 ( -3.578 0.000 -3.074) 4.717 6.167 ( 2.643 0.000 -0.614) 2.714 6.285 ( -6.741 0.000 0.407) 6.753 6.318 ( -4.974 0.000 -0.141) 4.976 6.341 ( -5.421 0.000 1.982) 5.772 6.357 ( -1.589 0.000 0.333) 1.623 6.449 ( -4.127 0.000 2.174) 4.665 6.971 ( 6.557 0.000 -0.755) 6.601 7.288 ( 5.257 0.000 -0.761) 5.312 7.317 ( 8.108 0.000 3.781) 8.946 7.372 ( 1.820 0.000 3.677) 4.103 10.879 ( 1.474 0.000 -2.648) 3.031 11.006 ( -2.398 0.000 3.725) 4.430 11.176 ( 1.627 0.000 -1.885) 2.490 11.225 ( -0.312 0.000 1.218) 1.257 11.259 ( 2.669 0.000 1.638) 3.132 11.312 ( -3.051 0.000 1.709) 3.497 11.742 ( -2.030 0.000 10.004) 10.208 11.773 ( -3.450 0.000 -2.968) 4.551 13.064 ( 10.453 0.000 -15.783) 18.930 13.480 ( -4.531 0.000 5.958) 7.485 13.854 ( 1.429 0.000 1.619) 2.159 13.859 ( 0.678 0.000 -0.575) 0.890 ======================= Grid point 284 (135/160) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.942 ( 12.444 0.000 2.219) 12.640 1.050 ( -3.247 0.000 16.250) 16.571 1.266 ( 9.326 0.000 5.389) 10.772 1.426 ( -0.953 0.000 -17.641) 17.667 1.627 ( 2.604 0.000 8.027) 8.439 1.713 ( -12.582 0.000 -9.155) 15.560 1.716 ( -4.541 0.000 3.816) 5.932 1.852 ( 6.415 0.000 -7.285) 9.706 2.117 ( -10.283 0.000 8.655) 13.440 2.158 ( 3.599 0.000 -8.962) 9.658 2.268 ( 8.047 0.000 5.764) 9.899 2.504 ( 8.580 0.000 3.254) 9.176 2.608 ( -5.975 0.000 -4.628) 7.558 2.688 ( 0.449 0.000 -10.865) 10.875 2.786 ( 2.795 0.000 -2.038) 3.459 2.845 ( -10.708 0.000 -2.654) 11.031 3.309 ( 7.106 0.000 1.125) 7.194 3.349 ( -2.563 0.000 8.501) 8.879 3.466 ( 0.399 0.000 -3.602) 3.624 3.587 ( -1.312 0.000 -8.989) 9.084 3.606 ( -1.725 0.000 1.974) 2.621 3.853 ( -8.241 0.000 2.905) 8.738 3.943 ( 3.344 0.000 -1.513) 3.671 4.056 ( 2.036 0.000 -2.749) 3.421 4.336 ( 0.285 0.000 2.975) 2.989 4.376 ( 4.538 0.000 -5.329) 6.999 4.497 ( -2.280 0.000 5.876) 6.303 4.513 ( 4.026 0.000 1.058) 4.163 4.670 ( 3.050 0.000 3.536) 4.670 4.711 ( -3.167 0.000 3.572) 4.774 4.835 ( -5.587 0.000 -1.460) 5.775 4.940 ( -3.977 0.000 -3.849) 5.535 5.152 ( 1.057 0.000 -0.759) 1.301 5.162 ( 1.119 0.000 1.748) 2.075 5.305 ( 9.516 0.000 -2.549) 9.852 5.569 ( -7.301 0.000 3.881) 8.268 5.772 ( 0.446 0.000 -0.724) 0.851 5.830 ( 1.858 0.000 -1.138) 2.179 6.215 ( -3.151 0.000 -0.576) 3.203 6.219 ( 0.632 0.000 0.166) 0.653 6.239 ( -3.580 0.000 0.637) 3.636 6.239 ( -3.043 0.000 0.389) 3.068 6.357 ( -0.834 0.000 -1.205) 1.465 6.399 ( -3.381 0.000 -0.321) 3.396 7.085 ( 6.499 0.000 2.604) 7.001 7.297 ( -0.482 0.000 -3.522) 3.555 7.438 ( 3.619 0.000 1.607) 3.959 7.442 ( 1.184 0.000 3.631) 3.819 10.889 ( 2.816 0.000 -1.464) 3.174 10.982 ( -3.726 0.000 1.358) 3.966 11.195 ( 2.266 0.000 -1.065) 2.503 11.234 ( -0.753 0.000 0.859) 1.142 11.303 ( -0.312 0.000 2.074) 2.097 11.318 ( 1.549 0.000 1.833) 2.400 11.725 ( 1.300 0.000 -2.557) 2.869 11.784 ( -5.276 0.000 7.743) 9.370 13.111 ( 13.341 0.000 -10.177) 16.780 13.404 ( -10.047 0.000 2.704) 10.405 13.864 ( 0.693 0.000 -0.300) 0.755 13.878 ( -0.091 0.000 0.670) 0.676 ======================= Grid point 285 (136/160) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.141 ( 2.602 0.000 -1.787) 3.157 1.141 ( -2.602 0.000 1.787) 3.157 1.310 ( 10.552 0.000 -7.922) 13.195 1.310 ( -10.552 0.000 7.922) 13.195 1.592 ( -8.267 0.000 0.137) 8.268 1.592 ( 8.267 0.000 -0.137) 8.268 1.798 ( -3.705 0.000 -9.056) 9.785 1.798 ( 3.705 0.000 9.056) 9.785 2.116 ( 5.028 0.000 -11.862) 12.883 2.116 ( -5.028 0.000 11.862) 12.883 2.423 ( -0.073 0.000 -12.236) 12.236 2.423 ( 0.073 0.000 12.236) 12.236 2.630 ( -9.118 0.000 -1.272) 9.206 2.630 ( 9.118 0.000 1.272) 9.206 2.778 ( -1.246 0.000 -3.148) 3.385 2.778 ( 1.246 0.000 3.148) 3.385 3.412 ( -0.431 0.000 -5.540) 5.557 3.412 ( 0.431 0.000 5.540) 5.557 3.454 ( -3.446 0.000 -8.330) 9.015 3.454 ( 3.446 0.000 8.330) 9.015 3.694 ( -9.833 0.000 -1.770) 9.991 3.694 ( 9.833 0.000 1.770) 9.991 4.005 ( -5.960 0.000 1.341) 6.109 4.005 ( 5.960 0.000 -1.341) 6.109 4.374 ( 1.162 0.000 -4.509) 4.657 4.374 ( -1.162 0.000 4.509) 4.657 4.517 ( 1.725 0.000 -3.910) 4.273 4.517 ( -1.725 0.000 3.910) 4.273 4.742 ( -2.005 0.000 -2.859) 3.492 4.742 ( 2.005 0.000 2.859) 3.492 4.811 ( -6.187 0.000 -4.801) 7.832 4.811 ( 6.187 0.000 4.801) 7.832 5.160 ( 2.032 0.000 -0.931) 2.235 5.160 ( -2.032 0.000 0.931) 2.235 5.460 ( -10.495 0.000 1.930) 10.671 5.460 ( 10.495 0.000 -1.930) 10.671 5.813 ( -2.265 0.000 -1.381) 2.653 5.813 ( 2.265 0.000 1.381) 2.653 6.175 ( 0.720 0.000 -0.569) 0.917 6.175 ( -0.720 0.000 0.569) 0.917 6.249 ( -0.244 0.000 -1.853) 1.869 6.249 ( 0.244 0.000 1.853) 1.869 6.347 ( -1.537 0.000 -0.810) 1.737 6.347 ( 1.537 0.000 0.810) 1.737 7.213 ( -4.501 0.000 -4.045) 6.052 7.213 ( 4.501 0.000 4.045) 6.052 7.473 ( 0.827 0.000 -1.302) 1.542 7.473 ( -0.827 0.000 1.302) 1.542 10.931 ( -3.740 0.000 0.677) 3.801 10.931 ( 3.740 0.000 -0.677) 3.801 11.219 ( 1.937 0.000 -0.789) 2.091 11.219 ( -1.937 0.000 0.789) 2.091 11.329 ( -0.712 0.000 -0.725) 1.016 11.329 ( 0.712 0.000 0.725) 1.016 11.752 ( 5.555 0.000 -3.634) 6.638 11.752 ( -5.555 0.000 3.634) 6.638 13.250 ( -13.345 0.000 4.429) 14.061 13.250 ( 13.345 0.000 -4.429) 14.061 13.874 ( -0.660 0.000 0.094) 0.667 13.874 ( 0.660 0.000 -0.094) 0.667 ======================= Grid point 291 (137/160) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 5.163 0.216 -11.265) 12.394 0.904 ( -5.163 0.216 11.265) 12.394 1.158 ( -0.009 1.228 -2.703) 2.969 1.158 ( 0.009 1.228 2.703) 2.969 1.373 ( 1.723 9.102 -11.757) 14.968 1.373 ( -1.723 9.102 11.757) 14.968 1.891 ( 0.257 3.526 -5.911) 6.887 1.891 ( -0.257 3.526 5.911) 6.887 2.302 ( -6.616 5.022 -15.453) 17.543 2.302 ( 6.616 5.022 15.453) 17.543 2.546 ( -12.896 0.216 1.047) 12.941 2.546 ( 12.896 0.216 -1.047) 12.941 2.784 ( 4.662 -15.771 -8.409) 18.471 2.784 ( -4.662 -15.771 8.409) 18.471 3.230 ( -0.824 -1.064 -4.348) 4.552 3.230 ( 0.824 -1.064 4.348) 4.552 3.332 ( -0.957 -4.875 -2.078) 5.385 3.332 ( 0.957 -4.875 2.078) 5.385 3.655 ( 6.450 -5.088 -13.546) 15.843 3.655 ( -6.450 -5.088 13.546) 15.843 3.732 ( 11.496 11.115 -5.157) 16.802 3.732 ( -11.496 11.115 5.157) 16.802 3.970 ( -0.843 -6.037 -6.072) 8.604 3.970 ( 0.843 -6.037 6.072) 8.604 4.132 ( -3.261 3.571 -0.742) 4.893 4.132 ( 3.261 3.571 0.742) 4.893 4.431 ( -6.047 9.629 -7.111) 13.411 4.431 ( 6.047 9.629 7.111) 13.411 4.636 ( -7.774 2.296 -3.297) 8.751 4.636 ( 7.774 2.296 3.297) 8.751 5.048 ( -0.938 0.009 -3.081) 3.220 5.048 ( 0.938 0.009 3.081) 3.220 5.104 ( 0.240 2.728 -0.927) 2.892 5.104 ( -0.240 2.728 0.927) 2.892 5.525 ( 1.751 -5.961 -7.247) 9.546 5.525 ( -1.751 -5.961 7.247) 9.546 5.758 ( 1.037 -1.268 -3.745) 4.087 5.758 ( -1.037 -1.268 3.745) 4.087 6.245 ( -0.090 -1.543 -7.055) 7.223 6.245 ( 0.090 -1.543 7.055) 7.223 6.469 ( -0.213 -4.853 -1.962) 5.239 6.469 ( 0.213 -4.853 1.962) 5.239 6.611 ( -2.616 -4.210 -2.657) 5.624 6.611 ( 2.616 -4.210 2.657) 5.624 6.884 ( 7.097 3.323 -6.764) 10.351 6.884 ( -7.097 3.323 6.764) 10.351 7.098 ( -6.427 4.282 -1.747) 7.918 7.098 ( 6.427 4.282 1.747) 7.918 10.851 ( 0.855 -1.450 -4.586) 4.886 10.851 ( -0.855 -1.450 4.586) 4.886 11.228 ( 1.614 0.837 -3.791) 4.205 11.228 ( -1.614 0.837 3.791) 4.205 11.365 ( -1.265 1.602 -2.000) 2.858 11.365 ( 1.265 1.602 2.000) 2.858 11.827 ( -10.863 -1.609 -0.719) 11.005 11.827 ( 10.863 -1.609 0.719) 11.005 13.185 ( 7.247 2.284 -14.805) 16.641 13.185 ( -7.247 2.284 14.805) 16.641 13.830 ( -0.562 0.224 -0.619) 0.866 13.830 ( 0.562 0.224 0.619) 0.866 ======================= Grid point 293 (138/160) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 8.931 -1.018 -8.083) 12.088 0.935 ( 0.604 0.432 -0.130) 0.754 1.079 ( 1.550 3.467 -14.841) 15.319 1.214 ( 6.912 0.653 0.868) 6.997 1.343 ( 3.995 4.882 -0.228) 6.312 1.503 ( 0.096 8.462 13.207) 15.686 1.780 ( -1.620 16.834 -15.313) 22.815 1.900 ( -6.919 -2.104 5.084) 8.840 2.095 ( -3.232 -0.950 2.465) 4.174 2.315 ( -5.114 8.818 2.750) 10.558 2.571 ( 0.486 -10.458 -1.157) 10.533 2.778 ( 5.327 -6.244 -1.386) 8.324 2.819 ( -0.966 -12.741 7.180) 14.657 2.861 ( 9.299 -5.072 7.220) 12.819 3.115 ( -6.465 -3.569 -4.727) 8.768 3.235 ( -7.684 0.492 -1.401) 7.826 3.262 ( 0.731 -8.290 -2.474) 8.683 3.366 ( -3.448 -3.220 -5.428) 7.192 3.448 ( -8.684 -2.881 6.244) 11.077 3.503 ( -3.489 8.879 -6.193) 11.374 3.653 ( -7.568 -1.675 0.193) 7.753 3.882 ( 12.402 9.825 -9.042) 18.223 3.942 ( 0.527 -0.524 -2.035) 2.166 4.059 ( 0.993 -3.840 0.825) 4.051 4.113 ( -4.134 -4.556 3.617) 7.137 4.202 ( 2.363 4.418 5.612) 7.523 4.284 ( -3.054 9.265 -3.126) 10.244 4.515 ( -1.033 1.884 -0.920) 2.337 4.597 ( 3.965 8.337 2.913) 9.680 4.812 ( 8.158 0.385 1.805) 8.364 4.963 ( -3.242 -2.169 -4.454) 5.920 5.063 ( -0.056 4.332 0.942) 4.433 5.106 ( 0.191 3.252 -0.856) 3.368 5.123 ( 0.785 2.860 1.174) 3.190 5.459 ( -0.997 -7.724 -6.181) 9.943 5.571 ( -1.626 -3.883 5.959) 7.296 5.752 ( 2.175 -1.073 -2.279) 3.328 5.794 ( 1.438 -1.167 2.906) 3.446 6.213 ( 2.549 -2.074 -2.157) 3.931 6.335 ( 0.240 -1.274 6.151) 6.287 6.396 ( -6.218 -4.762 -1.104) 7.910 6.472 ( -3.943 -4.089 1.857) 5.976 6.509 ( -5.442 -1.846 0.235) 5.751 6.589 ( -9.034 -2.606 2.929) 9.849 6.891 ( 2.340 2.112 -1.778) 3.619 6.925 ( 8.195 2.444 -6.047) 10.474 7.078 ( 5.501 4.305 1.685) 7.186 7.227 ( 6.543 3.031 1.486) 7.362 10.830 ( 1.585 -2.311 -2.797) 3.959 10.897 ( -0.245 -1.392 5.123) 5.315 11.221 ( 1.544 1.527 -1.770) 2.801 11.240 ( -1.759 0.689 2.244) 2.934 11.306 ( -3.462 0.503 0.327) 3.514 11.403 ( 1.318 3.414 -0.235) 3.667 11.678 ( -6.977 -1.386 1.373) 7.245 11.975 ( 4.501 1.303 1.097) 4.812 13.100 ( 2.839 -2.834 -11.799) 12.462 13.263 ( 0.029 3.283 7.987) 8.635 13.817 ( 0.098 0.306 -0.841) 0.900 13.846 ( 0.865 0.225 0.106) 0.900 ======================= Grid point 294 (139/160) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -4.005 2.770 0.658) 4.914 0.933 ( 2.649 1.157 -9.260) 9.701 1.073 ( 14.813 4.235 -10.053) 18.396 1.351 ( 8.894 -0.066 -1.507) 9.021 1.456 ( 8.259 3.868 3.193) 9.663 1.633 ( -3.978 3.043 9.763) 10.973 1.657 ( 8.209 9.500 -7.283) 14.515 1.885 ( -1.326 2.561 7.141) 7.701 2.077 ( -4.469 -1.109 3.624) 5.860 2.362 ( 4.492 6.612 0.443) 8.006 2.434 ( -11.394 -7.690 -6.770) 15.323 2.684 ( -16.481 -0.596 -3.545) 16.868 2.750 ( -1.753 -6.087 -4.223) 7.613 2.934 ( -5.135 0.029 -2.266) 5.612 3.031 ( -5.925 -4.519 -4.912) 8.925 3.046 ( -0.851 -11.358 2.693) 11.704 3.229 ( -4.658 -2.686 -4.307) 6.890 3.339 ( 1.502 -3.058 -8.423) 9.086 3.397 ( 3.009 -0.997 4.743) 5.705 3.534 ( -0.963 -2.030 9.738) 9.994 3.651 ( 4.494 4.944 4.217) 7.901 3.868 ( 0.659 -1.686 -7.197) 7.422 3.916 ( -1.595 0.749 -5.650) 5.919 4.015 ( -6.656 -2.582 -0.499) 7.157 4.127 ( 5.480 -2.261 2.227) 6.333 4.254 ( -0.830 -0.254 2.839) 2.969 4.306 ( 4.804 4.803 1.034) 6.871 4.532 ( 4.120 3.708 -1.578) 5.763 4.642 ( 0.121 7.620 -1.646) 7.797 4.824 ( -0.916 -2.463 -3.117) 4.077 4.963 ( 3.121 -1.657 1.614) 3.885 5.047 ( -4.487 5.896 -0.103) 7.410 5.106 ( -0.305 5.016 -0.159) 5.028 5.157 ( 1.757 3.944 2.884) 5.193 5.355 ( -3.503 -7.297 -5.313) 9.682 5.605 ( -1.126 -2.778 4.088) 5.069 5.765 ( 1.231 0.856 -0.017) 1.499 5.871 ( 3.698 -0.311 1.367) 3.954 6.240 ( -1.047 0.398 -2.659) 2.886 6.258 ( -2.202 -6.328 -0.457) 6.716 6.361 ( -3.758 -2.152 -0.711) 4.389 6.400 ( -5.894 -2.283 1.895) 6.599 6.441 ( -6.784 2.578 3.352) 7.994 6.479 ( -6.722 -1.562 3.860) 7.907 6.938 ( 6.730 5.502 -4.123) 9.621 7.049 ( 11.036 -4.462 0.808) 11.931 7.219 ( 7.464 2.163 2.202) 8.077 7.330 ( 4.170 3.395 2.363) 5.873 10.835 ( 1.751 -2.855 -1.693) 3.753 10.949 ( 0.473 -1.935 4.218) 4.664 11.205 ( -0.790 0.602 -2.740) 2.915 11.235 ( 0.588 1.874 0.584) 2.049 11.287 ( -2.540 3.141 3.986) 5.675 11.402 ( -0.581 4.683 -0.356) 4.733 11.655 ( -1.228 -0.840 5.488) 5.686 11.965 ( -4.872 7.107 -0.832) 8.656 13.024 ( 6.604 -7.318 -15.917) 18.722 13.362 ( -0.525 -2.970 9.169) 9.653 13.819 ( 0.957 0.141 -0.259) 1.001 13.858 ( 0.749 0.351 -0.046) 0.828 ======================= Grid point 295 (140/160) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 9.241 3.800 -10.443) 14.453 0.959 ( -2.942 3.299 13.147) 13.870 1.158 ( 8.488 7.974 -5.059) 12.698 1.487 ( 8.850 -4.614 -3.594) 10.608 1.576 ( -4.691 2.737 8.731) 10.282 1.641 ( 1.207 -0.247 0.854) 1.499 1.809 ( 11.943 1.678 -0.799) 12.087 2.001 ( 1.484 6.002 1.762) 6.429 2.069 ( 1.270 -2.528 6.806) 7.370 2.120 ( -10.617 -3.895 -7.429) 13.531 2.325 ( -1.929 1.311 -10.218) 10.481 2.471 ( -6.881 5.261 0.312) 8.667 2.722 ( -2.458 1.229 3.686) 4.598 2.801 ( -1.861 0.250 -6.697) 6.955 2.877 ( -5.766 1.182 -6.895) 9.066 3.062 ( -9.093 -0.750 -5.301) 10.552 3.119 ( 3.610 -8.412 4.409) 10.161 3.277 ( 1.807 -6.676 -5.931) 9.111 3.471 ( 1.261 -1.333 2.141) 2.820 3.592 ( -4.616 -2.175 3.883) 6.412 3.726 ( 0.307 2.384 -0.891) 2.563 3.818 ( 0.936 -4.124 -4.969) 6.525 3.824 ( -1.864 -7.370 -0.434) 7.615 3.929 ( -1.111 -6.433 -2.640) 7.042 4.235 ( 1.191 -7.784 4.027) 8.845 4.307 ( 2.287 -4.939 5.105) 7.462 4.391 ( 4.156 0.735 -0.705) 4.279 4.544 ( 1.743 8.467 -6.523) 10.830 4.640 ( 1.934 4.828 3.196) 6.104 4.800 ( -3.148 -3.320 2.916) 5.425 4.957 ( -3.187 6.072 -2.289) 7.230 5.017 ( -0.191 3.298 1.525) 3.639 5.034 ( -4.775 -3.397 -3.031) 6.597 5.255 ( 2.712 0.426 -1.861) 3.316 5.273 ( 2.260 6.176 2.363) 6.988 5.621 ( -1.341 -0.230 2.705) 3.028 5.791 ( 0.737 2.028 1.379) 2.561 5.879 ( -1.224 1.794 -2.567) 3.363 6.197 ( 0.045 -4.313 -1.625) 4.609 6.229 ( -1.045 -0.587 -2.328) 2.619 6.297 ( -5.924 1.142 0.668) 6.070 6.342 ( -1.604 0.177 3.253) 3.631 6.399 ( -2.553 2.739 1.440) 4.011 6.437 ( -3.690 -0.732 1.978) 4.250 6.991 ( 5.895 1.772 -3.456) 7.059 7.235 ( 7.527 -3.772 1.918) 8.635 7.327 ( 4.185 -0.220 1.834) 4.574 7.421 ( 2.902 4.571 3.852) 6.645 10.848 ( 2.132 -1.579 -1.039) 2.849 10.997 ( -0.294 -1.355 3.228) 3.513 11.190 ( 2.072 1.500 -1.423) 2.927 11.246 ( 0.054 1.806 0.710) 1.941 11.290 ( -1.491 4.840 1.823) 5.383 11.402 ( 0.211 5.820 1.747) 6.080 11.717 ( -1.880 -1.409 8.379) 8.702 11.858 ( -5.381 7.951 -1.879) 9.783 12.978 ( 9.411 -8.883 -14.859) 19.705 13.397 ( -5.333 -8.208 5.031) 11.006 13.836 ( 0.988 -0.850 0.041) 1.304 13.869 ( 0.350 0.113 0.373) 0.524 ======================= Grid point 296 (141/160) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 11.210 2.758 1.169) 11.603 1.067 ( -1.270 1.626 11.336) 11.522 1.253 ( 4.875 0.022 -2.266) 5.376 1.454 ( -2.138 2.144 -5.369) 6.164 1.602 ( -1.627 -4.732 -5.322) 7.305 1.656 ( 2.165 1.155 6.187) 6.656 1.800 ( -8.750 2.376 -3.737) 9.807 1.907 ( 4.944 6.353 -2.430) 8.408 2.135 ( -11.199 2.083 11.218) 15.987 2.177 ( 4.776 1.811 -8.953) 10.308 2.291 ( 7.823 2.485 7.459) 11.091 2.491 ( 6.840 -0.930 4.479) 8.229 2.627 ( -2.873 -0.219 -5.658) 6.350 2.711 ( -2.910 2.727 -15.303) 15.814 2.777 ( -3.729 -0.223 2.477) 4.482 2.852 ( -5.467 1.345 -5.165) 7.640 3.247 ( 6.887 -5.085 3.353) 9.194 3.300 ( 0.991 -4.934 4.848) 6.988 3.477 ( 0.906 -1.477 -4.887) 5.185 3.516 ( -5.261 -4.946 -0.926) 7.280 3.696 ( 0.369 4.189 -2.049) 4.678 3.777 ( -0.400 -6.100 -2.751) 6.703 3.818 ( -0.380 -8.819 1.829) 9.014 3.928 ( 2.682 -8.160 -2.193) 8.865 4.210 ( -6.497 -13.795 1.201) 15.295 4.315 ( -9.459 -5.601 -1.663) 11.118 4.422 ( 3.779 -6.965 3.755) 8.769 4.532 ( 1.274 0.904 -0.946) 1.827 4.753 ( 6.443 5.562 2.371) 8.836 4.796 ( 0.218 4.706 2.794) 5.477 4.910 ( -1.805 3.523 -1.435) 4.211 4.958 ( -1.693 -1.218 0.388) 2.121 5.003 ( -0.175 3.433 -1.962) 3.958 5.171 ( -4.841 -3.092 -2.817) 6.398 5.446 ( 8.814 10.366 2.989) 13.931 5.624 ( -2.400 4.020 2.826) 5.469 5.796 ( -0.438 2.175 -0.339) 2.245 5.842 ( -0.719 0.924 -0.839) 1.440 6.155 ( 0.447 -3.486 -2.074) 4.081 6.241 ( -0.214 1.687 1.277) 2.127 6.267 ( 1.624 3.387 0.474) 3.787 6.297 ( -5.610 2.518 2.124) 6.505 6.385 ( -2.748 -0.381 0.458) 2.811 6.395 ( -1.125 3.737 -2.803) 4.805 7.073 ( 6.265 -1.125 1.010) 6.444 7.271 ( -0.614 -2.744 -2.976) 4.095 7.430 ( 3.939 0.193 3.136) 5.039 7.487 ( 0.884 3.626 2.303) 4.386 10.885 ( 3.043 0.169 0.115) 3.050 10.992 ( -2.747 0.414 0.677) 2.859 11.219 ( 2.259 2.340 -1.178) 3.459 11.250 ( -1.151 2.978 0.816) 3.295 11.312 ( 3.076 3.212 2.036) 4.891 11.428 ( -0.738 6.954 2.074) 7.294 11.739 ( -2.105 0.822 1.837) 2.912 11.786 ( -3.985 1.500 2.256) 4.819 13.020 ( 12.673 -9.425 -9.473) 18.417 13.311 ( -10.010 -9.489 2.416) 14.003 13.849 ( 0.749 -1.215 -0.049) 1.429 13.872 ( -0.420 -0.765 0.066) 0.875 ======================= Grid point 297 (142/160) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.873 0.402 -0.675) 1.175 1.144 ( 0.873 0.402 0.675) 1.175 1.274 ( -4.234 -2.674 -3.313) 6.005 1.274 ( 4.234 -2.674 3.313) 6.005 1.645 ( -9.493 3.656 0.558) 10.188 1.645 ( 9.493 3.656 -0.558) 10.188 1.827 ( -4.705 3.459 -9.637) 11.268 1.827 ( 4.705 3.459 9.637) 11.268 2.138 ( 4.923 2.290 -11.239) 12.481 2.138 ( -4.923 2.290 11.239) 12.481 2.462 ( -0.980 3.823 -12.538) 13.145 2.462 ( 0.980 3.823 12.538) 13.145 2.640 ( -8.347 0.842 -0.720) 8.421 2.640 ( 8.347 0.842 0.720) 8.421 2.744 ( -3.539 -2.787 -4.324) 6.244 2.744 ( 3.539 -2.787 4.324) 6.244 3.363 ( 5.830 -3.432 -8.097) 10.551 3.363 ( -5.830 -3.432 8.097) 10.551 3.432 ( 4.510 -5.009 -5.638) 8.788 3.432 ( -4.511 -5.009 5.638) 8.788 3.725 ( -2.084 1.675 -2.302) 3.528 3.725 ( 2.084 1.675 2.302) 3.528 3.887 ( -0.053 -8.498 -5.019) 9.870 3.887 ( 0.053 -8.498 5.019) 9.870 4.174 ( -2.970 -13.866 -1.862) 14.302 4.174 ( 2.970 -13.866 1.862) 14.302 4.507 ( -1.496 -4.642 -3.147) 5.804 4.507 ( 1.496 -4.642 3.147) 5.804 4.837 ( -0.557 6.145 -3.949) 7.326 4.837 ( 0.557 6.145 3.949) 7.326 4.899 ( -4.006 5.331 -1.839) 6.917 4.899 ( 4.006 5.331 1.839) 6.917 5.056 ( -5.126 -3.561 -2.222) 6.625 5.056 ( 5.126 -3.561 2.222) 6.625 5.579 ( -4.937 8.330 -0.276) 9.687 5.579 ( 4.937 8.330 0.276) 9.687 5.811 ( 1.171 -0.185 -2.489) 2.757 5.811 ( -1.171 -0.185 2.489) 2.757 6.192 ( -2.324 1.263 -1.306) 2.950 6.192 ( 2.324 1.263 1.306) 2.950 6.298 ( 0.441 4.484 -2.572) 5.188 6.298 ( -0.441 4.484 2.572) 5.188 6.347 ( 0.714 0.795 -1.177) 1.590 6.347 ( -0.714 0.795 1.177) 1.590 7.190 ( -4.589 -2.367 -3.435) 6.202 7.190 ( 4.589 -2.367 3.435) 6.202 7.493 ( -0.311 2.027 -1.218) 2.385 7.493 ( 0.311 2.027 1.218) 2.385 10.941 ( -2.756 0.976 -0.890) 3.056 10.941 ( 2.756 0.976 0.890) 3.056 11.236 ( 1.682 2.449 -1.666) 3.407 11.236 ( -1.682 2.449 1.666) 3.407 11.396 ( -2.924 5.940 -1.409) 6.769 11.396 ( 2.924 5.940 1.409) 6.769 11.748 ( 3.456 -0.311 -3.840) 5.176 11.748 ( -3.456 -0.311 3.840) 5.176 13.157 ( -5.326 -9.603 1.038) 11.030 13.157 ( 5.326 -9.603 -1.038) 11.030 13.861 ( -0.664 -1.172 -0.188) 1.360 13.861 ( 0.664 -1.172 0.188) 1.360 ======================= Grid point 303 (143/160) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 1.280 3.347 -7.872) 8.649 0.949 ( -1.280 3.347 7.872) 8.649 1.195 ( -0.441 2.153 -2.658) 3.449 1.195 ( 0.441 2.153 2.658) 3.449 1.473 ( 0.096 2.461 -13.674) 13.894 1.473 ( -0.096 2.461 13.674) 13.894 1.940 ( -2.945 0.155 -6.978) 7.576 1.940 ( 2.945 0.155 6.978) 7.576 2.424 ( 1.095 -2.262 -6.511) 6.980 2.424 ( -1.095 -2.262 6.511) 6.980 2.493 ( -8.923 -0.269 -5.420) 10.444 2.493 ( 8.923 -0.269 5.420) 10.444 2.669 ( 4.100 8.942 -6.477) 11.778 2.669 ( -4.100 8.942 6.477) 11.778 3.069 ( 1.232 -11.784 -9.589) 15.243 3.069 ( -1.232 -11.784 9.589) 15.243 3.353 ( 2.402 4.023 -6.709) 8.183 3.353 ( -2.402 4.023 6.709) 8.183 3.496 ( 1.131 -7.763 -13.042) 15.220 3.496 ( -1.131 -7.763 13.042) 15.220 3.843 ( 2.271 -3.684 -5.759) 7.204 3.843 ( -2.271 -3.684 5.759) 7.204 3.992 ( -7.421 9.693 -4.662) 13.067 3.992 ( 7.421 9.693 4.662) 13.067 4.273 ( -3.118 9.761 -3.588) 10.857 4.273 ( 3.118 9.761 3.588) 10.857 4.565 ( -4.564 3.337 -5.967) 8.220 4.565 ( 4.564 3.337 5.967) 8.220 4.674 ( -5.726 2.808 -4.430) 7.765 4.674 ( 5.726 2.808 4.430) 7.765 5.025 ( -4.534 -3.092 -2.051) 5.859 5.025 ( 4.534 -3.092 2.051) 5.859 5.178 ( -1.555 4.415 -0.774) 4.744 5.178 ( 1.555 4.415 0.774) 4.744 5.335 ( -0.467 -12.385 -6.558) 14.022 5.335 ( 0.467 -12.385 6.558) 14.022 5.769 ( 0.346 1.925 -4.677) 5.069 5.769 ( -0.346 1.925 4.677) 5.069 6.191 ( 0.319 -4.185 -6.898) 8.075 6.191 ( -0.319 -4.185 6.898) 8.075 6.376 ( -2.407 -3.894 -1.699) 4.883 6.376 ( 2.407 -3.894 1.699) 4.883 6.543 ( -0.894 -2.783 -1.679) 3.371 6.543 ( 0.894 -2.783 1.679) 3.371 6.918 ( 3.440 0.214 -4.728) 5.851 6.918 ( -3.440 0.214 4.728) 5.851 7.197 ( -3.952 5.418 -1.858) 6.958 7.197 ( 3.952 5.418 1.858) 6.958 10.842 ( -0.021 0.678 -3.707) 3.768 10.842 ( 0.021 0.678 3.707) 3.768 11.247 ( 1.373 1.324 -2.120) 2.851 11.247 ( -1.373 1.324 2.120) 2.851 11.387 ( -1.480 0.497 -3.707) 4.023 11.387 ( 1.480 0.497 3.707) 4.023 11.776 ( -9.979 -3.660 -1.784) 10.778 11.776 ( 9.979 -3.660 1.784) 10.778 13.239 ( 2.814 3.139 -12.415) 13.111 13.239 ( -2.814 3.139 12.415) 13.111 13.834 ( -0.529 0.197 -0.429) 0.709 13.834 ( 0.529 0.197 0.429) 0.709 ======================= Grid point 305 (144/160) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 6.766 1.209 -7.020) 9.825 0.983 ( -1.726 3.201 2.345) 4.327 1.154 ( 0.684 4.625 -9.663) 10.734 1.257 ( 7.470 3.416 0.075) 8.214 1.411 ( 6.109 2.856 -4.793) 8.273 1.619 ( -1.102 2.153 13.020) 13.243 1.856 ( -2.326 -0.161 0.972) 2.526 2.033 ( -3.140 -4.443 6.102) 8.175 2.161 ( -10.995 16.702 -10.320) 22.502 2.394 ( -3.968 -4.477 5.656) 8.233 2.475 ( -2.003 -5.160 1.205) 5.665 2.627 ( 1.132 3.464 -0.394) 3.666 2.681 ( 5.593 -1.316 -3.472) 6.713 2.801 ( 6.932 -1.834 5.257) 8.891 2.976 ( -0.598 -8.655 -6.667) 10.941 3.113 ( -3.883 -8.065 3.421) 9.583 3.230 ( -4.517 -0.101 -13.968) 14.681 3.299 ( -3.510 -2.356 0.817) 4.306 3.430 ( -7.372 1.326 9.030) 11.732 3.584 ( 1.122 1.287 5.671) 5.922 3.744 ( -9.903 7.851 -6.317) 14.128 3.829 ( 4.705 -5.724 -7.570) 10.592 3.936 ( 2.846 -6.383 -0.084) 6.989 4.066 ( -3.944 4.656 1.046) 6.191 4.183 ( -3.061 9.020 -0.508) 9.539 4.329 ( -2.939 6.685 -2.741) 7.800 4.449 ( 0.778 7.028 -3.566) 7.919 4.566 ( 0.761 4.298 -2.116) 4.851 4.698 ( 2.353 1.693 3.582) 4.608 4.806 ( 6.588 -0.301 1.473) 6.758 4.922 ( -5.601 -1.818 -1.562) 6.092 5.092 ( 1.176 -5.983 -1.656) 6.318 5.174 ( 0.996 5.857 2.244) 6.351 5.219 ( 2.694 4.545 -0.125) 5.285 5.280 ( -0.400 -6.815 -0.984) 6.897 5.426 ( 1.535 -10.427 6.384) 12.322 5.745 ( 2.847 0.219 -2.466) 3.773 5.814 ( 0.525 3.116 3.362) 4.614 6.152 ( 1.367 -4.679 -3.319) 5.897 6.227 ( -3.733 -7.357 0.922) 8.301 6.344 ( -0.385 -0.949 3.255) 3.413 6.402 ( -1.110 -2.528 0.252) 2.772 6.497 ( -3.814 -1.069 1.571) 4.261 6.533 ( -4.482 -2.211 2.618) 5.642 6.889 ( 1.814 -0.358 -0.397) 1.891 6.996 ( 7.373 1.157 -5.069) 9.022 7.159 ( 1.370 5.351 0.846) 5.588 7.299 ( 5.761 3.796 1.682) 7.101 10.812 ( 0.650 0.628 -2.421) 2.584 10.885 ( 0.361 0.148 3.174) 3.198 11.253 ( -0.267 0.782 0.926) 1.242 11.261 ( 0.416 2.278 0.916) 2.490 11.310 ( -2.763 0.105 -0.824) 2.885 11.446 ( 1.482 0.767 1.214) 2.063 11.658 ( -3.188 -0.477 0.187) 3.229 11.967 ( 9.501 -2.893 2.730) 10.300 13.079 ( -4.924 0.991 -10.850) 11.956 13.304 ( -3.539 0.780 6.515) 7.456 13.824 ( 0.019 0.427 -0.507) 0.663 13.849 ( 0.828 0.075 0.165) 0.848 ======================= Grid point 306 (145/160) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.894 4.451 2.672) 5.268 1.000 ( 3.032 4.885 -3.621) 6.795 1.130 ( 12.121 3.562 -4.981) 13.580 1.382 ( 10.754 3.009 -6.537) 12.940 1.506 ( 9.835 1.469 -1.980) 10.139 1.688 ( -6.247 1.759 8.172) 10.435 1.882 ( -6.863 8.745 -5.267) 12.301 1.901 ( 0.724 -0.419 8.774) 8.814 2.045 ( -4.372 1.047 3.785) 5.877 2.305 ( -9.651 -5.961 -5.866) 12.771 2.467 ( -2.514 -0.971 1.521) 3.095 2.635 ( -0.117 -2.305 -2.428) 3.350 2.703 ( 1.455 3.712 2.394) 4.650 2.819 ( -5.244 -6.404 2.500) 8.647 2.970 ( -2.760 -0.151 -1.782) 3.289 3.008 ( -3.319 -1.384 -2.650) 4.467 3.088 ( 0.542 -2.576 -5.299) 5.917 3.284 ( -3.626 -6.828 2.512) 8.129 3.429 ( -0.969 3.129 -1.388) 3.557 3.517 ( -2.808 1.460 0.826) 3.271 3.691 ( 0.568 -1.204 1.377) 1.916 3.814 ( 4.284 -4.485 -8.752) 10.727 3.876 ( -5.548 -3.483 -9.080) 11.197 3.979 ( -6.872 -0.060 1.198) 6.976 4.112 ( -3.538 -1.549 0.151) 3.865 4.200 ( -7.008 0.450 -1.847) 7.261 4.469 ( 1.780 5.721 -1.331) 6.137 4.623 ( 6.924 5.357 -1.109) 8.824 4.725 ( -0.500 -0.867 0.684) 1.212 4.818 ( -6.242 2.723 -1.743) 7.030 4.928 ( 4.218 -2.041 2.182) 5.169 5.045 ( -0.798 -6.032 -1.593) 6.290 5.170 ( -2.084 5.138 -0.749) 5.595 5.275 ( -0.500 1.253 0.459) 1.425 5.308 ( 4.144 6.476 3.435) 8.420 5.517 ( 2.954 -5.915 4.024) 7.739 5.820 ( 4.840 1.458 3.232) 6.000 5.856 ( 0.906 2.037 1.569) 2.726 6.078 ( -3.789 -9.721 -4.625) 11.413 6.221 ( 2.390 -2.175 0.572) 3.281 6.362 ( -0.652 0.897 0.693) 1.308 6.373 ( -2.228 0.072 0.109) 2.232 6.444 ( -5.311 -2.019 3.164) 6.504 6.494 ( -4.912 2.009 3.368) 6.285 6.969 ( 8.423 -2.867 -3.484) 9.556 7.045 ( 5.923 3.229 -1.540) 6.919 7.239 ( 4.806 1.822 2.188) 5.586 7.408 ( 4.994 3.658 2.670) 6.741 10.813 ( 1.625 0.684 -0.758) 1.919 10.924 ( 1.304 -0.659 2.105) 2.563 11.224 ( -0.397 1.207 -2.067) 2.426 11.274 ( -0.086 1.639 1.626) 2.310 11.338 ( 0.503 2.953 5.697) 6.436 11.467 ( 0.321 1.554 0.735) 1.749 11.661 ( 0.989 1.776 1.840) 2.742 12.089 ( 1.724 3.951 1.995) 4.750 12.878 ( -2.431 -6.105 -13.625) 15.127 13.279 ( -6.873 -5.642 4.737) 10.075 13.823 ( 0.376 0.314 -0.380) 0.620 13.861 ( 0.411 -0.146 0.112) 0.450 ======================= Grid point 307 (146/160) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 7.296 7.459 -8.581) 13.509 1.051 ( -1.871 6.461 11.479) 13.305 1.275 ( 8.020 1.563 -6.117) 10.207 1.450 ( 8.413 3.079 -7.927) 11.962 1.609 ( 2.583 -2.300 -2.338) 4.175 1.647 ( -6.068 3.449 7.864) 10.515 1.876 ( 8.078 3.138 0.284) 8.670 1.957 ( -5.210 -6.972 2.237) 8.986 2.059 ( -2.074 0.057 1.012) 2.308 2.130 ( 1.416 4.606 7.869) 9.227 2.371 ( -8.471 2.712 -1.186) 8.973 2.559 ( -4.782 2.400 -1.181) 5.479 2.742 ( -3.545 -0.791 -1.975) 4.134 2.822 ( -3.372 -2.474 -6.579) 7.795 2.823 ( -0.687 0.423 5.173) 5.236 2.992 ( -3.308 0.012 -0.165) 3.312 3.068 ( 2.650 -4.248 -0.484) 5.030 3.191 ( 0.309 -1.096 -8.220) 8.299 3.413 ( 0.297 -3.244 0.260) 3.268 3.543 ( -8.087 -2.725 2.292) 8.836 3.656 ( 1.629 -8.642 -6.468) 10.917 3.683 ( -3.139 -5.283 -4.970) 7.903 3.804 ( 2.931 0.722 -3.126) 4.346 3.884 ( -4.721 -1.192 0.046) 4.870 4.071 ( -8.233 -7.024 -0.723) 10.846 4.108 ( 2.154 -9.554 0.144) 9.795 4.429 ( -5.892 -0.319 -0.159) 5.903 4.639 ( -10.620 -7.744 -2.173) 13.322 4.729 ( 2.474 -0.209 -1.276) 2.791 4.741 ( 6.718 8.078 -2.082) 10.711 4.972 ( 0.018 0.744 4.426) 4.489 5.062 ( 0.637 4.571 -2.256) 5.137 5.128 ( -2.570 6.469 1.801) 7.190 5.243 ( -3.214 -0.521 -0.976) 3.399 5.443 ( 8.084 7.896 3.965) 11.976 5.605 ( 3.588 -1.255 2.494) 4.546 5.862 ( -0.703 0.899 -0.557) 1.270 5.889 ( -2.199 2.677 2.013) 4.007 6.031 ( 4.725 -6.993 -2.388) 8.771 6.269 ( 2.419 0.606 0.667) 2.581 6.322 ( -3.608 1.252 1.232) 4.013 6.374 ( -0.951 2.843 1.644) 3.419 6.411 ( -3.438 -0.079 1.769) 3.867 6.470 ( 0.087 2.853 1.384) 3.172 7.007 ( 5.445 -0.630 -6.499) 8.502 7.168 ( 5.213 -3.476 1.797) 6.518 7.339 ( 4.825 2.538 3.096) 6.269 7.507 ( 3.140 3.829 3.095) 5.839 10.847 ( 2.612 1.355 0.688) 3.022 10.972 ( 1.429 -0.922 2.174) 2.760 11.228 ( 2.754 2.238 -0.836) 3.645 11.300 ( 2.171 3.164 0.888) 3.939 11.391 ( -2.684 5.585 5.116) 8.036 11.487 ( 2.196 2.963 0.342) 3.704 11.703 ( -0.817 0.329 4.856) 4.936 12.055 ( -6.773 11.692 -0.378) 13.518 12.746 ( 5.046 -14.576 -13.071) 20.218 13.197 ( -8.633 -12.247 2.677) 15.221 13.825 ( 0.324 -0.302 -0.333) 0.554 13.862 ( -0.298 -0.736 -0.046) 0.796 ======================= Grid point 308 (147/160) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 8.033 3.255 -2.183) 8.938 1.123 ( -0.194 4.443 4.734) 6.495 1.262 ( 0.406 -0.206 -6.522) 6.538 1.471 ( -10.902 -4.165 -7.193) 13.709 1.528 ( 9.051 1.806 -0.880) 9.271 1.717 ( 3.283 4.428 7.984) 9.703 1.809 ( -5.784 -0.618 0.026) 5.817 2.044 ( 5.688 6.701 -0.357) 8.797 2.200 ( -7.591 4.388 14.810) 17.210 2.220 ( 2.124 2.601 -5.033) 6.051 2.348 ( 9.001 2.641 9.271) 13.188 2.484 ( 0.459 0.561 1.889) 2.023 2.603 ( -1.381 -1.600 -7.872) 8.151 2.720 ( -2.110 -1.773 -11.081) 11.418 2.792 ( -10.618 1.035 4.171) 11.454 2.888 ( -2.733 0.663 -5.532) 6.206 3.162 ( 2.134 -8.052 7.020) 10.894 3.194 ( 6.717 -1.028 -1.926) 7.063 3.385 ( -5.967 -6.658 -2.035) 9.169 3.398 ( 1.544 -4.586 -9.163) 10.362 3.616 ( -4.371 -10.926 2.755) 12.086 3.643 ( 2.552 -4.013 -5.029) 6.921 3.787 ( -1.958 1.581 0.505) 2.567 3.869 ( -3.734 -14.442 2.300) 15.093 3.941 ( -0.025 2.050 -4.729) 5.154 4.150 ( -0.765 -12.590 0.278) 12.617 4.306 ( -6.707 -2.770 1.269) 7.366 4.460 ( -7.737 -10.049 -1.767) 12.805 4.768 ( 2.497 -0.756 1.656) 3.090 4.823 ( 4.290 2.603 -0.778) 5.078 5.014 ( 0.674 7.248 -3.093) 7.909 5.042 ( 0.749 3.514 3.582) 5.074 5.107 ( -3.518 6.049 1.288) 7.115 5.164 ( -2.954 0.943 -2.973) 4.296 5.612 ( 6.885 6.600 3.295) 10.091 5.679 ( 2.735 1.746 1.623) 3.628 5.831 ( -1.751 0.883 -1.066) 2.232 5.842 ( -3.294 -1.269 -0.162) 3.534 6.122 ( 7.176 1.427 -0.650) 7.345 6.298 ( -3.858 2.595 2.938) 5.499 6.313 ( 2.480 2.780 0.689) 3.788 6.357 ( -1.381 3.569 1.434) 4.087 6.378 ( -2.495 0.718 1.724) 3.116 6.488 ( 0.871 4.352 -2.854) 5.277 7.044 ( 5.220 -1.923 -1.498) 5.761 7.197 ( -0.745 -4.874 -1.936) 5.297 7.460 ( 4.967 3.196 3.475) 6.852 7.562 ( 0.286 3.757 1.602) 4.094 10.906 ( 3.071 1.978 1.550) 3.968 10.996 ( -0.699 0.249 0.690) 1.013 11.271 ( 4.109 3.200 -2.196) 5.652 11.362 ( -4.672 5.279 2.509) 7.483 11.388 ( 6.008 6.680 3.152) 9.521 11.537 ( 2.601 4.440 0.132) 5.148 11.729 ( -3.417 -1.079 6.159) 7.126 11.898 ( -8.665 9.756 -4.045) 13.661 12.765 ( 11.000 -16.930 -7.568) 21.561 13.065 ( -10.667 -15.670 1.393) 19.007 13.828 ( 0.392 -0.897 -0.137) 0.988 13.851 ( -0.737 -1.227 -0.314) 1.465 ======================= Grid point 309 (148/160) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -2.822 -0.356 -3.752) 4.708 1.153 ( 2.822 -0.356 3.752) 4.708 1.236 ( -3.251 -0.548 -4.181) 5.324 1.236 ( 3.251 -0.548 4.181) 5.324 1.680 ( -8.609 0.101 -0.223) 8.612 1.680 ( 8.609 0.101 0.223) 8.612 1.936 ( -6.127 7.544 -11.972) 15.420 1.936 ( 6.127 7.544 11.972) 15.420 2.202 ( 4.588 4.305 -8.761) 10.786 2.202 ( -4.588 4.305 8.761) 10.786 2.534 ( -1.689 2.704 -11.994) 12.410 2.534 ( 1.689 2.704 11.993) 12.410 2.644 ( -7.323 -0.967 -3.937) 8.370 2.644 ( 7.323 -0.967 3.937) 8.370 2.708 ( -10.041 -0.679 -7.576) 12.597 2.708 ( 10.041 -0.679 7.576) 12.597 3.271 ( -1.193 -9.229 -5.639) 10.881 3.271 ( 1.193 -9.229 5.639) 10.881 3.308 ( 0.487 -2.422 -10.799) 11.078 3.308 ( -0.487 -2.422 10.799) 11.078 3.613 ( 1.217 -11.817 -5.179) 12.960 3.613 ( -1.217 -11.817 5.179) 12.960 3.795 ( -0.152 -4.581 -3.482) 5.756 3.795 ( 0.152 -4.581 3.482) 5.756 4.021 ( -6.871 -0.086 -2.006) 7.158 4.021 ( 6.871 -0.086 2.006) 7.158 4.344 ( -5.172 -11.400 -1.662) 12.628 4.344 ( 5.172 -11.400 1.662) 12.628 4.829 ( -1.770 -0.909 -1.775) 2.667 4.829 ( 1.770 -0.909 1.775) 2.667 5.029 ( -3.045 5.458 -0.424) 6.265 5.029 ( 3.045 5.458 0.424) 6.265 5.107 ( 0.293 4.661 -3.780) 6.009 5.107 ( -0.293 4.661 3.780) 6.009 5.705 ( -1.545 4.514 -0.341) 4.783 5.705 ( 1.545 4.514 0.341) 4.783 5.805 ( 1.916 -0.525 -2.956) 3.562 5.805 ( -1.916 -0.525 2.956) 3.562 6.226 ( -1.397 2.741 -2.393) 3.897 6.226 ( 1.397 2.741 2.393) 3.897 6.350 ( 2.269 2.297 -2.024) 3.810 6.350 ( -2.269 2.297 2.024) 3.810 6.423 ( -2.030 5.153 -5.700) 7.948 6.423 ( 2.030 5.153 5.700) 7.948 7.129 ( -3.428 -3.855 -2.708) 5.826 7.129 ( 3.428 -3.855 2.708) 5.826 7.547 ( -1.548 3.471 -1.722) 4.172 7.547 ( 1.548 3.471 1.722) 4.172 10.967 ( -2.346 1.699 -1.201) 3.136 10.967 ( 2.346 1.699 1.201) 3.136 11.312 ( 4.700 4.829 -2.716) 7.265 11.312 ( -4.700 4.829 2.716) 7.265 11.523 ( -0.944 7.039 -5.158) 8.778 11.523 ( 0.944 7.039 5.158) 8.778 11.755 ( -0.530 1.703 -5.846) 6.112 11.755 ( 0.530 1.703 5.846) 6.112 12.901 ( -8.624 -16.696 1.075) 18.823 12.901 ( 8.624 -16.696 -1.075) 18.823 13.837 ( -0.650 -1.252 -0.228) 1.429 13.837 ( 0.650 -1.252 0.228) 1.429 ======================= Grid point 315 (149/160) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.115 0.509 -6.050) 6.072 0.989 ( -0.115 0.509 6.050) 6.072 1.223 ( -0.406 0.619 -3.216) 3.300 1.223 ( 0.406 0.619 3.216) 3.300 1.516 ( 0.612 2.421 -9.085) 9.422 1.516 ( -0.612 2.421 9.085) 9.422 1.906 ( 1.011 -2.536 -7.308) 7.801 1.906 ( -1.011 -2.536 7.308) 7.801 2.319 ( -2.873 -3.329 -1.373) 4.607 2.319 ( 2.873 -3.329 1.373) 4.607 2.532 ( -2.098 0.883 -5.281) 5.751 2.532 ( 2.098 0.883 5.281) 5.751 2.815 ( 2.043 -4.194 -11.002) 11.950 2.815 ( -2.043 -4.194 11.002) 11.950 3.011 ( 0.757 11.674 -4.604) 12.572 3.011 ( -0.757 11.674 4.604) 12.572 3.328 ( 5.403 -4.692 -7.508) 10.372 3.328 ( -5.403 -4.692 7.508) 10.372 3.482 ( -1.290 4.321 -8.976) 10.045 3.482 ( 1.290 4.321 8.976) 10.045 3.775 ( -0.643 -2.945 -0.726) 3.100 3.775 ( 0.643 -2.945 0.726) 3.100 4.175 ( -4.820 9.436 -4.990) 11.711 4.175 ( 4.820 9.436 4.990) 11.711 4.400 ( -4.765 1.868 -1.992) 5.492 4.400 ( 4.765 1.868 1.992) 5.492 4.576 ( -4.031 -0.645 -3.263) 5.226 4.576 ( 4.031 -0.645 3.263) 5.226 4.757 ( -2.244 3.794 -5.065) 6.714 4.757 ( 2.244 3.794 5.065) 6.714 4.917 ( -2.111 -5.979 -6.537) 9.107 4.917 ( 2.111 -5.979 6.537) 9.107 5.112 ( 0.471 -8.545 -4.140) 9.506 5.112 ( -0.471 -8.545 4.140) 9.506 5.264 ( -0.987 2.710 -1.712) 3.354 5.264 ( 0.987 2.710 1.712) 3.354 5.812 ( -0.457 2.297 -4.706) 5.257 5.812 ( 0.457 2.297 4.706) 5.257 6.102 ( 0.575 -4.404 -5.086) 6.752 6.102 ( -0.575 -4.404 5.086) 6.752 6.341 ( -1.109 -0.070 -1.155) 1.602 6.341 ( 1.109 -0.070 1.155) 1.602 6.497 ( -1.010 -2.207 0.167) 2.433 6.497 ( 1.010 -2.207 -0.167) 2.433 6.907 ( 0.801 -0.879 -3.052) 3.276 6.907 ( -0.801 -0.879 3.052) 3.276 7.281 ( -1.824 3.190 -1.315) 3.903 7.281 ( 1.824 3.190 1.315) 3.903 10.868 ( -0.260 1.537 -2.194) 2.691 10.868 ( 0.260 1.537 2.194) 2.691 11.282 ( -1.583 2.425 -0.917) 3.038 11.282 ( 1.583 2.425 0.917) 3.038 11.379 ( -1.581 -1.419 -4.578) 5.047 11.379 ( 1.581 -1.419 4.578) 5.047 11.703 ( -6.280 -3.432 -1.061) 7.235 11.703 ( 6.280 -3.432 1.061) 7.235 13.292 ( 0.578 2.124 -7.009) 7.346 13.292 ( -0.578 2.124 7.009) 7.346 13.837 ( -0.320 0.074 -0.221) 0.396 13.837 ( 0.320 0.074 0.221) 0.396 ======================= Grid point 317 (150/160) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 2.412 0.888 -3.090) 4.019 1.010 ( -0.246 -0.895 1.147) 1.475 1.253 ( 2.591 5.213 -0.697) 5.863 1.319 ( 6.872 2.398 2.505) 7.697 1.465 ( 5.134 3.113 -6.726) 9.015 1.602 ( 0.268 -2.921 6.129) 6.794 1.864 ( 1.111 1.100 -1.953) 2.501 1.958 ( -2.587 -2.844 6.362) 7.433 2.250 ( -7.370 -4.118 1.908) 8.655 2.303 ( -5.853 -4.434 0.444) 7.356 2.455 ( 0.590 3.530 -7.957) 8.725 2.607 ( 3.989 -2.881 -0.345) 4.932 2.741 ( 1.258 -2.644 -4.564) 5.422 2.866 ( -7.674 6.787 10.468) 14.647 2.926 ( -1.804 -3.165 -1.865) 4.092 3.029 ( -2.340 11.392 2.594) 11.915 3.254 ( -10.410 -3.931 2.300) 11.363 3.293 ( 2.399 4.991 -8.417) 10.075 3.437 ( -0.033 -0.552 0.509) 0.752 3.581 ( 0.695 -2.519 2.397) 3.546 3.743 ( -0.370 -1.718 -0.619) 1.863 3.796 ( 0.798 -3.130 -4.307) 5.384 3.956 ( -8.781 8.986 -9.226) 15.588 4.193 ( -5.587 6.571 -0.802) 8.663 4.261 ( -9.199 1.028 -3.036) 9.742 4.419 ( -3.990 2.892 -2.944) 5.740 4.510 ( -1.645 -0.892 -1.459) 2.373 4.654 ( 3.655 -3.488 -0.811) 5.117 4.674 ( -2.236 2.274 -0.161) 3.193 4.834 ( -0.662 -8.331 -2.648) 8.767 4.870 ( 6.050 6.534 3.292) 9.494 4.960 ( -0.515 -1.173 1.541) 2.004 5.142 ( 2.426 -6.200 4.798) 8.207 5.212 ( 3.817 -8.138 0.542) 9.005 5.291 ( 5.506 3.226 3.514) 7.285 5.325 ( 3.162 2.404 1.975) 4.436 5.768 ( 1.597 2.365 -3.703) 4.675 5.870 ( 1.853 1.229 2.018) 3.003 6.057 ( -1.830 -3.350 -1.872) 4.252 6.124 ( -1.692 -4.028 3.298) 5.474 6.341 ( 0.470 0.793 1.999) 2.201 6.381 ( 2.055 0.083 0.505) 2.118 6.457 ( -4.179 -2.043 1.090) 4.778 6.505 ( -0.865 -1.836 1.341) 2.433 6.891 ( 2.202 0.805 -1.373) 2.717 6.973 ( 5.328 -2.553 -0.968) 5.987 7.266 ( 1.680 5.055 -0.818) 5.389 7.348 ( 4.669 1.069 1.020) 4.897 10.845 ( 0.272 2.335 -1.612) 2.851 10.893 ( 0.471 0.314 1.264) 1.385 11.261 ( -1.058 0.376 1.482) 1.859 11.288 ( -2.713 -0.327 -2.362) 3.612 11.338 ( 1.938 3.471 2.389) 4.638 11.439 ( 0.657 -1.190 2.807) 3.119 11.667 ( 2.107 1.706 -0.195) 2.718 11.866 ( 10.695 -7.092 2.211) 13.022 13.135 ( -9.301 4.463 -7.244) 12.605 13.290 ( -7.031 -2.217 2.878) 7.914 13.833 ( 0.116 0.451 -0.254) 0.531 13.847 ( 0.661 -0.228 0.055) 0.701 ======================= Grid point 318 (151/160) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.498 2.167 6.631) 8.300 1.065 ( 3.847 1.415 2.402) 4.751 1.256 ( 4.841 9.036 -6.007) 11.881 1.444 ( 10.121 2.930 -4.924) 11.631 1.523 ( 7.350 0.565 -2.954) 7.942 1.650 ( -0.522 -6.067 3.234) 6.895 1.888 ( -2.003 1.580 3.545) 4.367 1.952 ( -5.065 0.614 2.071) 5.506 2.093 ( -7.428 -0.098 0.927) 7.486 2.187 ( -5.786 -6.643 -6.618) 11.018 2.414 ( 1.020 0.624 0.343) 1.244 2.637 ( -0.697 -2.420 0.844) 2.656 2.777 ( 1.149 2.990 3.758) 4.938 2.831 ( -5.505 7.323 6.033) 10.970 2.910 ( -2.503 -3.763 -1.381) 4.726 2.997 ( -8.134 2.670 7.654) 11.484 3.119 ( -5.434 -0.740 -0.143) 5.486 3.237 ( -1.247 4.556 -4.856) 6.774 3.431 ( -0.730 -4.677 -1.534) 4.976 3.519 ( -4.334 -3.333 -7.123) 8.980 3.654 ( -5.215 0.417 -5.550) 7.627 3.730 ( -2.665 -3.935 -0.434) 4.772 3.817 ( -0.425 -0.582 -9.259) 9.287 4.038 ( -5.025 -3.305 -6.872) 9.132 4.081 ( -10.181 7.177 -0.157) 12.457 4.254 ( -7.849 4.794 -6.152) 11.065 4.452 ( -5.115 -6.071 0.679) 7.968 4.583 ( -7.483 -10.434 -2.090) 13.009 4.755 ( 7.331 4.761 -5.288) 10.217 4.821 ( 1.480 -2.159 2.681) 3.747 4.944 ( -1.103 6.083 5.210) 8.085 5.062 ( 8.085 4.561 1.612) 9.421 5.200 ( 0.379 -3.258 1.287) 3.524 5.241 ( -1.900 -4.147 2.122) 5.031 5.408 ( 4.908 2.851 2.518) 6.209 5.448 ( 8.163 0.179 2.989) 8.695 5.801 ( 3.558 -0.422 0.436) 3.610 5.898 ( 2.377 -3.790 -3.966) 5.978 6.007 ( -2.895 5.162 3.408) 6.830 6.172 ( 2.742 -2.824 3.480) 5.254 6.358 ( -0.959 0.078 0.668) 1.171 6.403 ( -3.945 -1.836 1.593) 4.634 6.416 ( 2.873 2.433 -0.193) 3.769 6.505 ( -1.882 -0.932 2.144) 3.002 6.942 ( 5.746 0.326 -2.140) 6.140 7.039 ( 4.211 -2.853 -0.773) 5.145 7.319 ( 4.877 5.492 0.697) 7.378 7.446 ( 5.520 0.060 1.799) 5.806 10.848 ( 1.463 2.543 -0.128) 2.937 10.916 ( 1.425 -0.535 0.755) 1.699 11.245 ( -0.195 0.990 -0.347) 1.067 11.283 ( 0.504 -0.524 2.802) 2.895 11.411 ( 1.867 4.095 5.065) 6.775 11.476 ( 1.363 -0.068 1.604) 2.106 11.723 ( 4.315 5.064 -0.813) 6.703 12.054 ( 9.807 -7.545 1.717) 12.492 12.859 ( -13.771 4.311 -9.080) 17.049 13.151 ( -12.257 -7.722 0.959) 14.519 13.831 ( -0.027 0.484 -0.358) 0.603 13.854 ( 0.039 -0.570 -0.106) 0.581 ======================= Grid point 319 (152/160) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 4.292 5.488 -6.284) 9.382 1.177 ( 1.244 4.075 9.095) 10.044 1.281 ( 5.721 3.456 -8.584) 10.879 1.543 ( -1.532 -0.960 -4.903) 5.226 1.561 ( 6.781 2.651 -6.231) 9.583 1.688 ( 4.978 0.057 4.363) 6.619 1.830 ( -8.491 -4.230 -0.857) 9.525 1.892 ( 2.972 -2.123 8.272) 9.042 2.097 ( 2.518 1.863 3.232) 4.500 2.166 ( 3.498 -0.758 5.923) 6.921 2.417 ( -4.683 3.760 2.094) 6.360 2.592 ( -8.483 1.038 4.429) 9.626 2.725 ( -8.034 3.643 3.290) 9.415 2.802 ( -0.762 -2.479 -8.583) 8.966 2.876 ( -5.298 2.870 6.059) 8.545 2.964 ( -3.615 -2.662 0.167) 4.493 3.056 ( -1.814 0.838 -1.547) 2.527 3.139 ( -1.473 0.182 -5.806) 5.993 3.361 ( -0.894 -4.666 -3.466) 5.881 3.459 ( -0.759 -9.117 -0.159) 9.150 3.511 ( -5.880 -2.423 -7.305) 9.686 3.617 ( -4.359 -4.788 -0.591) 6.502 3.743 ( -3.776 -2.536 -2.010) 4.973 3.913 ( -7.533 -2.337 -0.277) 7.892 3.962 ( 0.750 4.904 -8.968) 10.249 4.097 ( -3.404 4.673 -3.314) 6.664 4.363 ( -6.250 -6.289 -0.351) 8.873 4.407 ( -10.027 -12.701 -3.382) 16.531 4.763 ( 0.689 3.516 -0.254) 3.592 4.895 ( 5.887 5.466 -4.509) 9.212 4.998 ( 0.099 0.934 5.634) 5.712 5.142 ( 0.434 3.668 -0.241) 3.701 5.194 ( -1.066 -3.226 -1.138) 3.583 5.214 ( -2.589 0.780 1.424) 3.056 5.547 ( 7.507 3.524 4.113) 9.256 5.600 ( 6.894 0.867 2.553) 7.402 5.830 ( 0.278 -1.730 -0.531) 1.830 5.864 ( -1.588 -3.719 -2.001) 4.512 6.081 ( 5.724 7.879 3.375) 10.307 6.261 ( 3.044 -1.312 3.422) 4.764 6.342 ( -1.031 0.932 1.174) 1.819 6.379 ( -1.730 -0.997 2.387) 3.112 6.456 ( 0.847 2.970 -0.862) 3.206 6.505 ( 1.147 0.635 1.166) 1.755 6.989 ( 4.221 -0.253 -3.967) 5.798 7.091 ( 2.142 -4.454 0.295) 4.951 7.424 ( 6.053 5.522 2.199) 8.483 7.549 ( 4.244 0.290 2.222) 4.799 10.888 ( 2.631 2.631 1.326) 3.950 10.959 ( 2.148 -0.783 1.590) 2.785 11.270 ( 2.650 2.168 0.754) 3.506 11.334 ( 2.475 0.050 2.210) 3.319 11.489 ( -0.709 3.700 6.210) 7.263 11.532 ( 4.696 2.277 1.335) 5.387 11.758 ( 1.364 6.774 -1.622) 7.098 12.201 ( 6.089 -2.542 1.510) 6.769 12.530 ( -12.851 -1.554 -10.854) 16.893 12.950 ( -13.334 -13.516 0.097) 18.986 13.824 ( -0.282 0.151 -0.415) 0.524 13.846 ( -0.638 -0.899 -0.330) 1.151 ======================= Grid point 320 (153/160) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 2.887 2.754 -6.120) 7.305 1.202 ( -1.517 -0.349 -2.788) 3.193 1.241 ( 1.326 1.977 -5.611) 6.096 1.384 ( -6.652 -3.665 -5.728) 9.512 1.596 ( 4.672 3.901 -1.531) 6.276 1.733 ( -4.170 -2.947 0.599) 5.141 1.876 ( 4.831 7.931 12.379) 15.475 2.128 ( 8.667 0.656 2.965) 9.184 2.235 ( 7.216 0.435 4.736) 8.642 2.297 ( -8.493 2.458 9.293) 12.827 2.358 ( 7.698 1.105 6.538) 10.160 2.517 ( -5.870 0.479 4.849) 7.629 2.602 ( -2.853 3.649 -10.102) 11.113 2.688 ( -3.389 -1.566 -3.845) 5.359 2.788 ( -9.082 -0.799 1.916) 9.316 2.875 ( -5.111 -2.322 -3.695) 6.721 3.043 ( 1.953 -3.209 -1.321) 3.982 3.122 ( 3.173 -2.703 -0.974) 4.281 3.310 ( -1.243 -4.787 -13.695) 14.561 3.350 ( 3.195 -6.625 -2.213) 7.681 3.456 ( -9.734 -2.160 6.434) 11.867 3.562 ( -12.264 -8.252 -0.224) 14.783 3.634 ( 2.715 0.304 0.812) 2.850 3.843 ( -2.171 2.462 -5.029) 6.005 3.896 ( 0.406 -8.248 3.154) 8.840 4.072 ( 4.139 4.444 -6.662) 9.015 4.227 ( -8.196 -11.370 -1.055) 14.056 4.258 ( -5.818 -3.478 -0.774) 6.823 4.795 ( 1.833 3.664 2.413) 4.755 4.905 ( 1.426 4.745 -3.887) 6.298 5.046 ( -0.651 -2.771 3.552) 4.552 5.109 ( -2.029 1.204 -1.835) 2.989 5.164 ( 1.431 1.024 -3.104) 3.568 5.195 ( -2.336 2.076 1.604) 3.513 5.693 ( 5.224 2.323 2.910) 6.416 5.709 ( 4.615 1.574 0.641) 4.918 5.812 ( -1.884 -1.201 -0.438) 2.277 5.825 ( -1.737 -1.129 -0.103) 2.074 6.204 ( 6.270 5.719 0.733) 8.518 6.315 ( -0.053 0.067 1.322) 1.324 6.379 ( 1.017 2.359 4.122) 4.857 6.398 ( 0.415 1.872 3.825) 4.279 6.434 ( -0.451 3.903 -1.616) 4.249 6.536 ( 1.217 0.482 -1.577) 2.050 7.010 ( 3.167 -1.068 -1.873) 3.831 7.098 ( -0.780 -5.095 -1.024) 5.255 7.539 ( 4.862 4.481 2.238) 6.981 7.614 ( 1.336 1.377 1.197) 2.261 10.951 ( 2.739 2.517 1.870) 4.164 11.002 ( 0.826 0.092 1.183) 1.446 11.328 ( 4.323 2.511 -0.890) 5.078 11.393 ( 0.208 -0.302 2.527) 2.553 11.551 ( 1.914 6.120 5.662) 8.554 11.644 ( 7.557 6.213 1.216) 9.858 11.731 ( -2.342 4.813 -1.341) 5.518 12.124 ( -15.348 13.184 -4.188) 20.662 12.406 ( 9.859 -19.798 -4.440) 22.558 12.745 ( -12.488 -17.413 0.041) 21.428 13.816 ( -0.133 -0.310 -0.246) 0.417 13.830 ( -0.777 -0.975 -0.388) 1.306 ======================= Grid point 321 (154/160) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -2.392 -3.334 -3.756) 5.563 1.108 ( 2.392 -3.334 3.756) 5.563 1.266 ( -0.835 2.560 -3.346) 4.295 1.266 ( 0.835 2.560 3.346) 4.295 1.668 ( -4.775 -0.908 0.143) 4.863 1.668 ( 4.775 -0.908 -0.143) 4.863 2.080 ( -5.148 6.559 -9.897) 12.941 2.080 ( 5.148 6.559 9.897) 12.941 2.286 ( 2.650 3.849 -5.966) 7.578 2.286 ( -2.650 3.849 5.966) 7.578 2.553 ( -3.289 -0.519 -7.831) 8.509 2.553 ( 3.289 -0.519 7.831) 8.509 2.622 ( -3.742 0.153 -5.761) 6.872 2.622 ( 3.742 0.153 5.761) 6.872 2.691 ( -6.916 -1.309 -7.184) 10.057 2.691 ( 6.916 -1.309 7.184) 10.057 3.108 ( -4.133 -8.322 -2.885) 9.729 3.108 ( 4.133 -8.322 2.885) 9.729 3.287 ( -13.160 -1.627 3.708) 13.769 3.287 ( 13.160 -1.627 -3.708) 13.769 3.414 ( 3.331 -5.367 -3.344) 7.147 3.414 ( -3.331 -5.367 3.344) 7.147 3.735 ( 0.811 -0.351 -8.271) 8.318 3.735 ( -0.811 -0.351 8.271) 8.318 4.000 ( -2.319 -6.873 -8.009) 10.806 4.000 ( 2.319 -6.873 8.009) 10.806 4.182 ( -2.246 -2.217 -0.375) 3.178 4.182 ( 2.246 -2.217 0.375) 3.178 4.861 ( -1.775 3.659 -3.388) 5.293 4.861 ( 1.775 3.659 3.388) 5.293 5.066 ( 0.148 -1.415 -2.505) 2.881 5.066 ( -0.148 -1.415 2.505) 2.881 5.174 ( 2.661 2.388 -2.327) 4.266 5.174 ( -2.661 2.388 2.327) 4.266 5.759 ( 0.487 1.637 -0.531) 1.789 5.759 ( -0.487 1.637 0.531) 1.789 5.792 ( -0.243 -0.754 -1.513) 1.708 5.792 ( 0.243 -0.754 1.513) 1.708 6.289 ( -0.514 3.189 -1.785) 3.691 6.289 ( 0.514 3.189 1.785) 3.691 6.410 ( 1.224 3.748 -3.062) 4.992 6.410 ( -1.224 3.748 3.062) 4.992 6.490 ( -2.091 1.604 -4.930) 5.590 6.490 ( 2.091 1.604 4.930) 5.590 7.055 ( -1.198 -3.501 -2.016) 4.214 7.055 ( 1.198 -3.501 2.016) 4.214 7.611 ( -1.217 2.887 -1.218) 3.362 7.611 ( 1.217 2.887 1.218) 3.362 11.001 ( -1.324 1.618 -0.718) 2.211 11.001 ( 1.324 1.618 0.718) 2.211 11.380 ( 3.578 1.825 -1.879) 4.435 11.380 ( -3.578 1.825 1.879) 4.435 11.654 ( -1.046 5.914 -6.144) 8.592 11.654 ( 1.046 5.914 6.144) 8.592 11.838 ( -9.965 7.639 -6.470) 14.125 11.838 ( 9.965 7.639 6.470) 14.125 12.558 ( -10.147 -18.290 0.067) 20.917 12.558 ( 10.147 -18.290 -0.067) 20.917 13.817 ( -0.377 -0.739 -0.128) 0.839 13.817 ( 0.377 -0.739 0.128) 0.839 ======================= Grid point 327 (155/160) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.987 ( 0.000 0.000 -0.000) 0.000 0.987 ( -0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 -0.000) 0.000 1.545 ( -0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.879 ( -0.000 0.000 0.000) 0.000 2.293 ( -0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.761 ( -0.000 0.000 -0.000) 0.000 2.761 ( -0.000 0.000 0.000) 0.000 3.141 ( 0.000 -0.000 -0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.295 ( -0.000 -0.000 0.000) 0.000 3.295 ( -0.000 0.000 0.000) 0.000 3.534 ( -0.000 0.000 0.000) 0.000 3.534 ( -0.000 0.000 0.000) 0.000 3.744 ( 0.000 -0.000 -0.000) 0.000 3.744 ( -0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 -0.000) 0.000 4.288 ( -0.000 0.000 -0.000) 0.000 4.420 ( -0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 -0.000) 0.000 4.750 ( -0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 -0.000) 0.000 4.946 ( -0.000 -0.000 0.000) 0.000 4.987 ( 0.000 0.000 -0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.839 ( -0.000 0.000 -0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 6.054 ( -0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.349 ( -0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.470 ( -0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 10.885 ( -0.000 0.000 0.000) 0.000 11.333 ( -0.000 0.000 -0.000) 0.000 11.333 ( 0.000 0.000 0.000) 0.000 11.338 ( -0.000 -0.000 -0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 11.667 ( -0.000 0.000 0.000) 0.000 11.667 ( -0.000 0.000 0.000) 0.000 13.313 ( -0.000 0.000 0.000) 0.000 13.313 ( 0.000 0.000 0.000) 0.000 13.837 ( 0.000 0.000 0.000) 0.000 13.837 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 331 (156/160) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 0.970 ( 1.013 -2.403 -0.145) 2.612 0.970 ( 1.013 2.403 -0.145) 2.612 1.325 ( 5.393 -1.940 4.912) 7.548 1.325 ( 5.393 1.940 4.912) 7.548 1.533 ( 2.318 -3.934 -4.773) 6.606 1.533 ( 2.318 3.934 -4.773) 6.606 1.906 ( 0.550 -2.932 3.601) 4.675 1.906 ( 0.550 2.932 3.601) 4.675 2.228 ( -6.516 -2.275 -0.883) 6.958 2.228 ( -6.516 2.275 -0.883) 6.958 2.531 ( 1.008 -4.587 -5.575) 7.289 2.531 ( 1.008 4.587 -5.575) 7.289 2.759 ( 1.165 -4.719 2.818) 5.618 2.759 ( 1.165 4.719 2.818) 5.618 3.106 ( -9.637 -10.079 7.097) 15.647 3.106 ( -9.637 10.079 7.097) 15.647 3.273 ( -1.637 -9.791 -1.959) 10.118 3.273 ( -1.637 9.791 -1.959) 10.118 3.490 ( -2.145 -5.914 -3.484) 7.191 3.490 ( -2.145 5.914 -3.484) 7.191 3.747 ( 1.511 -1.522 -2.708) 3.454 3.747 ( 1.511 1.522 -2.708) 3.454 4.139 ( -9.754 -8.566 -9.161) 15.888 4.139 ( -9.754 8.566 -9.161) 15.888 4.381 ( -6.291 -6.469 1.516) 9.150 4.381 ( -6.291 6.469 1.516) 9.150 4.538 ( -0.997 -5.071 -3.979) 6.523 4.538 ( -0.997 5.071 -3.979) 6.523 4.707 ( 0.049 -3.197 2.748) 4.216 4.707 ( 0.049 3.197 2.748) 4.216 5.013 ( -0.335 -3.937 6.177) 7.332 5.013 ( -0.335 3.937 6.177) 7.332 5.053 ( 9.775 -6.651 -2.303) 12.045 5.053 ( 9.775 6.651 -2.303) 12.045 5.338 ( 3.659 -1.033 2.656) 4.638 5.338 ( 3.659 1.033 2.656) 4.638 5.832 ( 1.604 -3.905 -3.337) 5.382 5.832 ( 1.604 3.905 -3.337) 5.382 6.060 ( -1.532 -2.617 4.129) 5.123 6.060 ( -1.532 2.617 4.129) 5.123 6.370 ( 0.763 -1.737 1.399) 2.357 6.370 ( 0.763 1.737 1.399) 2.357 6.459 ( -0.754 -2.340 -0.173) 2.465 6.459 ( -0.754 2.340 -0.173) 2.465 6.922 ( 3.397 -2.432 -0.619) 4.223 6.922 ( 3.397 2.432 -0.619) 4.223 7.337 ( 3.196 -2.260 -0.115) 3.916 7.337 ( 3.196 2.260 -0.115) 3.916 10.884 ( 0.335 -1.404 -0.454) 1.513 10.884 ( 0.335 1.404 -0.454) 1.513 11.273 ( -2.127 -0.886 -0.634) 2.389 11.273 ( -2.127 0.886 -0.634) 2.389 11.403 ( 1.476 -2.725 3.520) 4.690 11.403 ( 1.476 2.725 3.520) 4.690 11.735 ( 7.291 -5.676 0.473) 9.252 11.735 ( 7.291 5.676 0.473) 9.252 13.225 ( -9.321 -4.429 -2.062) 10.524 13.225 ( -9.321 4.429 -2.062) 10.524 13.841 ( 0.379 -0.411 -0.099) 0.568 13.841 ( 0.379 0.411 -0.099) 0.568 ======================= Grid point 333 (157/160) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.057 ( 5.562 -1.701 5.303) 7.871 1.057 ( 5.562 1.701 5.303) 7.871 1.428 ( 4.490 -7.146 -0.965) 8.494 1.428 ( 4.490 7.146 -0.965) 8.494 1.540 ( 5.314 -2.402 -4.195) 7.184 1.540 ( 5.314 2.402 -4.195) 7.184 1.938 ( -4.701 -2.348 3.213) 6.160 1.938 ( -4.701 2.348 3.213) 6.160 2.092 ( -4.306 -2.071 -2.728) 5.502 2.092 ( -4.306 2.071 -2.728) 5.502 2.509 ( 2.309 -7.977 -0.393) 8.313 2.509 ( 2.309 7.977 -0.393) 8.313 2.834 ( 0.794 -2.932 2.766) 4.109 2.834 ( 0.794 2.932 2.766) 4.109 3.001 ( -12.939 -6.129 8.622) 16.713 3.001 ( -12.939 6.129 8.622) 16.713 3.199 ( -4.289 -9.451 -2.271) 10.624 3.199 ( -4.289 9.451 -2.271) 10.624 3.414 ( -2.545 -6.228 -3.752) 7.703 3.414 ( -2.545 6.228 -3.752) 7.703 3.678 ( -5.800 -1.614 -6.722) 9.024 3.678 ( -5.800 1.614 -6.722) 9.024 3.901 ( -5.057 -8.013 -7.408) 12.027 3.901 ( -5.057 8.013 -7.408) 12.027 4.283 ( -5.963 -10.068 -0.321) 11.705 4.283 ( -5.963 10.068 -0.321) 11.705 4.390 ( -7.687 -8.574 -6.344) 13.147 4.390 ( -7.687 8.574 -6.344) 13.147 4.799 ( 4.839 -1.090 1.099) 5.080 4.799 ( 4.839 1.090 1.099) 5.080 5.076 ( -0.248 -6.956 4.397) 8.233 5.076 ( -0.248 6.956 4.397) 8.233 5.160 ( 4.604 -4.593 0.791) 6.551 5.160 ( 4.604 4.593 0.791) 6.551 5.448 ( 6.594 -1.181 2.661) 7.208 5.448 ( 6.594 1.181 2.661) 7.208 5.826 ( 1.646 -2.908 -2.645) 4.262 5.826 ( 1.646 2.908 -2.645) 4.262 6.109 ( 1.443 -4.249 5.216) 6.880 6.109 ( 1.443 4.249 5.216) 6.880 6.370 ( -1.710 -1.260 0.423) 2.165 6.370 ( -1.710 1.260 0.423) 2.165 6.467 ( 1.464 -2.648 0.530) 3.072 6.467 ( 1.464 2.648 0.530) 3.072 6.977 ( 3.967 -3.031 -0.848) 5.063 6.977 ( 3.967 3.031 -0.848) 5.063 7.410 ( 5.504 -3.653 0.815) 6.657 7.410 ( 5.504 3.653 0.815) 6.657 10.894 ( 1.408 -1.914 0.117) 2.379 10.894 ( 1.408 1.914 0.117) 2.379 11.265 ( 0.210 -1.122 1.891) 2.209 11.265 ( 0.210 1.122 1.891) 2.209 11.465 ( 2.034 -1.446 3.052) 3.943 11.465 ( 2.034 1.446 3.052) 3.943 11.869 ( 8.520 -10.021 -0.369) 13.159 11.869 ( 8.520 10.021 -0.369) 13.159 12.994 ( -15.374 -8.500 -3.376) 17.889 12.994 ( -15.374 8.500 -3.376) 17.889 13.842 ( -0.138 -0.634 -0.282) 0.707 13.842 ( -0.138 0.634 -0.282) 0.707 ======================= Grid point 335 (158/160) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.173 ( 4.684 -2.231 -2.464) 5.743 1.173 ( 4.684 2.231 -2.464) 5.743 1.427 ( -2.325 -8.519 -4.501) 9.911 1.427 ( -2.325 8.519 -4.501) 9.911 1.649 ( 10.104 -3.781 -1.246) 10.859 1.649 ( 10.104 3.781 -1.246) 10.859 1.824 ( -5.204 -3.074 5.620) 8.253 1.824 ( -5.204 3.074 5.620) 8.253 2.131 ( 4.282 -2.122 4.424) 6.512 2.131 ( 4.282 2.122 4.424) 6.512 2.540 ( -3.932 -6.936 3.316) 8.635 2.540 ( -3.932 6.936 3.316) 8.635 2.769 ( -6.486 -0.448 -1.267) 6.623 2.769 ( -6.486 0.448 -1.267) 6.623 2.922 ( -7.894 -1.689 2.815) 8.549 2.922 ( -7.894 1.689 2.815) 8.549 3.129 ( -1.833 -7.305 -0.344) 7.540 3.129 ( -1.833 7.305 -0.344) 7.540 3.308 ( -2.378 -5.963 -8.648) 10.770 3.308 ( -2.378 5.963 -8.648) 10.770 3.521 ( -5.662 -3.627 0.860) 6.779 3.521 ( -5.662 3.627 0.860) 6.779 3.792 ( -4.796 -5.844 -2.343) 7.915 3.792 ( -4.796 5.844 -2.343) 7.915 4.175 ( -3.117 -10.034 -11.372) 15.483 4.175 ( -3.117 10.034 -11.372) 15.483 4.222 ( -6.099 -5.619 1.650) 8.455 4.222 ( -6.099 5.619 1.650) 8.455 4.857 ( 2.618 -5.832 -0.295) 6.400 4.857 ( 2.618 5.832 -0.295) 6.400 5.088 ( -1.062 -6.424 0.238) 6.516 5.088 ( -1.062 6.424 0.238) 6.516 5.204 ( 0.147 -2.130 0.692) 2.244 5.204 ( 0.147 2.130 0.692) 2.244 5.599 ( 7.377 -1.590 3.327) 8.247 5.599 ( 7.377 1.590 3.327) 8.247 5.820 ( 0.007 -0.851 -0.930) 1.261 5.820 ( 0.007 0.851 -0.930) 1.261 6.208 ( 3.885 -4.733 3.970) 7.298 6.208 ( 3.885 4.733 3.970) 7.298 6.359 ( -0.123 -0.972 1.546) 1.831 6.359 ( -0.123 0.972 1.546) 1.831 6.497 ( 1.569 -1.318 -0.103) 2.052 6.497 ( 1.569 1.318 -0.103) 2.052 7.016 ( 2.140 -3.012 -1.197) 3.884 7.016 ( 2.140 3.012 -1.197) 3.884 7.516 ( 5.595 -3.614 1.700) 6.874 7.516 ( 5.595 3.614 1.700) 6.874 10.934 ( 2.504 -1.947 1.399) 3.466 10.934 ( 2.504 1.947 1.399) 3.466 11.311 ( 2.146 -2.043 2.419) 3.825 11.311 ( 2.146 2.043 2.419) 3.825 11.538 ( 3.008 -1.649 3.307) 4.765 11.538 ( 3.008 1.649 3.307) 4.765 11.975 ( 6.670 -14.720 -2.785) 16.399 11.975 ( 6.670 14.720 -2.785) 16.399 12.694 ( -17.190 -13.028 -3.086) 21.788 12.694 ( -17.190 13.028 -3.086) 21.788 13.831 ( -0.628 -0.612 -0.415) 0.970 13.831 ( -0.628 0.612 -0.415) 0.970 ======================= Grid point 337 (159/160) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.141 ( -0.169 -3.195 -8.905) 9.462 1.141 ( -0.169 3.195 -8.905) 9.462 1.319 ( -2.563 -3.765 -2.622) 5.256 1.319 ( -2.563 3.765 -2.622) 5.256 1.667 ( -0.387 -3.659 -1.234) 3.880 1.667 ( -0.387 3.659 -1.234) 3.880 2.038 ( 7.531 -8.194 12.541) 16.767 2.038 ( 7.531 8.194 12.541) 16.767 2.267 ( 5.817 -2.586 3.161) 7.107 2.267 ( 5.817 2.586 3.161) 7.107 2.464 ( -5.177 -6.182 6.371) 10.276 2.464 ( -5.177 6.182 6.371) 10.276 2.659 ( -4.298 -2.204 -5.752) 7.511 2.659 ( -4.298 2.204 -5.752) 7.511 2.810 ( -5.849 -2.674 -0.743) 6.474 2.810 ( -5.849 2.674 -0.743) 6.474 3.085 ( -3.835 -7.078 -3.766) 8.887 3.085 ( -3.835 7.078 -3.766) 8.887 3.221 ( 4.054 -4.090 -6.122) 8.405 3.221 ( 4.054 4.090 -6.122) 8.405 3.474 ( -8.342 -3.039 4.984) 10.181 3.474 ( -8.342 3.039 4.984) 10.181 3.716 ( -0.967 -7.173 1.641) 7.422 3.716 ( -0.967 7.173 1.641) 7.422 3.994 ( -4.879 -9.707 -8.730) 13.937 3.994 ( -4.879 9.707 -8.730) 13.937 4.187 ( -0.341 -4.178 -0.641) 4.241 4.187 ( -0.341 4.178 -0.641) 4.241 4.894 ( 2.071 -5.738 0.597) 6.129 4.894 ( 2.071 5.738 0.597) 6.129 5.056 ( -2.141 -4.414 -1.013) 5.009 5.056 ( -2.141 4.414 -1.013) 5.009 5.201 ( -0.234 -1.377 -0.312) 1.431 5.201 ( -0.234 1.377 -0.312) 1.431 5.720 ( 4.589 -0.562 1.238) 4.786 5.720 ( 4.589 0.562 1.238) 4.786 5.806 ( -1.402 -0.571 0.303) 1.544 5.806 ( -1.402 0.571 0.303) 1.544 6.292 ( 2.974 -2.895 1.107) 4.296 6.292 ( 2.974 2.895 1.107) 4.296 6.409 ( 1.805 -0.738 4.068) 4.512 6.409 ( 1.805 0.738 4.068) 4.512 6.507 ( 0.631 -3.219 -1.378) 3.558 6.507 ( 0.631 3.219 -1.378) 3.558 7.022 ( 0.455 -2.489 -1.069) 2.747 7.022 ( 0.455 2.489 -1.069) 2.747 7.606 ( 3.351 -2.174 1.309) 4.204 7.606 ( 3.351 2.174 1.309) 4.204 10.990 ( 2.036 -1.401 1.638) 2.965 10.990 ( 2.036 1.401 1.638) 2.965 11.368 ( 2.111 -1.864 1.253) 3.083 11.368 ( 2.111 1.864 1.253) 3.083 11.635 ( 4.082 -3.393 3.991) 6.641 11.635 ( 4.082 3.393 3.991) 6.641 12.008 ( 2.847 -18.958 -5.402) 19.917 12.008 ( 2.847 18.958 -5.402) 19.917 12.424 ( -12.729 -15.974 -0.716) 20.438 12.424 ( -12.729 15.974 -0.716) 20.438 13.817 ( -0.558 -0.376 -0.332) 0.750 13.817 ( -0.558 0.376 -0.332) 0.750 ======================= Grid point 339 (160/160) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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| 1.069 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 -0.000) 0.000 1.295 ( 0.000 0.000 -0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 -0.000) 0.000 1.658 ( 0.000 0.000 -0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 -0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.546 ( -0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 -0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.665 ( -0.000 -0.000 -0.000) 0.000 2.665 ( -0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 -0.000) 0.000 2.997 ( 0.000 0.000 -0.000) 0.000 3.254 ( -0.000 0.000 -0.000) 0.000 3.254 ( 0.000 0.000 -0.000) 0.000 3.393 ( 0.000 0.000 -0.000) 0.000 3.393 ( -0.000 0.000 0.000) 0.000 3.777 ( -0.000 -0.000 -0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 -0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.922 ( -0.000 -0.000 -0.000) 0.000 4.922 ( 0.000 0.000 -0.000) 0.000 5.024 ( 0.000 0.000 -0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 -0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.777 ( -0.000 0.000 0.000) 0.000 5.777 ( -0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 -0.000) 0.000 5.781 ( 0.000 -0.000 -0.000) 0.000 6.323 ( 0.000 0.000 -0.000) 0.000 6.323 ( 0.000 0.000 -0.000) 0.000 6.464 ( 0.000 0.000 -0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 -0.000) 0.000 6.491 ( 0.000 0.000 -0.000) 0.000 7.018 ( -0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 -0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 -0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.711 ( 0.000 0.000 -0.000) 0.000 11.711 ( 0.000 0.000 -0.000) 0.000 11.978 ( 0.000 0.000 -0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 12.317 ( 0.000 0.000 -0.000) 0.000 12.317 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 -0.000) 0.000 13.810 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 10.893 14.014 10.474 0.000 0.778 0.000 3/28800 20.0 2.584 2.754 2.460 0.000 0.115 0.000 3/28800 30.0 1.415 1.424 1.350 0.000 0.044 0.000 3/28800 40.0 1.014 0.998 0.966 0.000 0.023 0.000 3/28800 50.0 0.815 0.796 0.773 0.000 0.013 0.000 3/28800 60.0 0.693 0.676 0.653 0.000 0.007 0.000 3/28800 70.0 0.609 0.593 0.569 0.000 0.004 0.000 3/28800 80.0 0.546 0.532 0.506 0.000 0.002 0.000 3/28800 90.0 0.496 0.485 0.457 0.000 0.001 0.000 3/28800 100.0 0.457 0.447 0.417 0.000 -0.000 0.000 3/28800 110.0 0.424 0.416 0.385 0.000 -0.001 0.000 3/28800 120.0 0.397 0.390 0.358 0.000 -0.002 0.000 3/28800 130.0 0.373 0.368 0.335 0.000 -0.002 0.000 3/28800 140.0 0.353 0.349 0.315 0.000 -0.003 0.000 3/28800 150.0 0.335 0.333 0.298 0.000 -0.003 0.000 3/28800 160.0 0.319 0.318 0.282 0.000 -0.003 0.000 3/28800 170.0 0.304 0.304 0.268 0.000 -0.004 0.000 3/28800 180.0 0.291 0.292 0.256 0.000 -0.004 0.000 3/28800 190.0 0.279 0.280 0.245 0.000 -0.004 0.000 3/28800 200.0 0.268 0.270 0.234 0.000 -0.004 0.000 3/28800 210.0 0.257 0.260 0.225 0.000 -0.004 0.000 3/28800 220.0 0.248 0.251 0.216 0.000 -0.004 0.000 3/28800 230.0 0.239 0.243 0.208 0.000 -0.004 0.000 3/28800 240.0 0.231 0.235 0.200 0.000 -0.004 0.000 3/28800 250.0 0.223 0.227 0.193 0.000 -0.004 0.000 3/28800 260.0 0.216 0.220 0.187 0.000 -0.004 0.000 3/28800 270.0 0.209 0.214 0.181 0.000 -0.004 0.000 3/28800 280.0 0.203 0.207 0.175 0.000 -0.004 0.000 3/28800 290.0 0.197 0.201 0.170 0.000 -0.004 0.000 3/28800 300.0 0.191 0.196 0.165 0.000 -0.004 0.000 3/28800 310.0 0.186 0.190 0.160 0.000 -0.004 0.000 3/28800 320.0 0.180 0.185 0.155 0.000 -0.004 0.000 3/28800 330.0 0.176 0.181 0.151 0.000 -0.004 0.000 3/28800 340.0 0.171 0.176 0.147 0.000 -0.004 0.000 3/28800 350.0 0.167 0.172 0.143 0.000 -0.004 0.000 3/28800 360.0 0.162 0.167 0.139 0.000 -0.004 0.000 3/28800 370.0 0.159 0.163 0.136 0.000 -0.004 0.000 3/28800 380.0 0.155 0.160 0.133 0.000 -0.004 0.000 3/28800 390.0 0.151 0.156 0.129 0.000 -0.004 0.000 3/28800 400.0 0.148 0.153 0.126 0.000 -0.004 0.000 3/28800 410.0 0.144 0.149 0.124 0.000 -0.003 0.000 3/28800 420.0 0.141 0.146 0.121 0.000 -0.003 0.000 3/28800 430.0 0.138 0.143 0.118 0.000 -0.003 0.000 3/28800 440.0 0.135 0.140 0.116 0.000 -0.003 0.000 3/28800 450.0 0.132 0.137 0.113 0.000 -0.003 0.000 3/28800 460.0 0.130 0.134 0.111 0.000 -0.003 0.000 3/28800 470.0 0.127 0.132 0.109 0.000 -0.003 0.000 3/28800 480.0 0.125 0.129 0.106 0.000 -0.003 0.000 3/28800 490.0 0.122 0.127 0.104 0.000 -0.003 0.000 3/28800 500.0 0.120 0.124 0.102 0.000 -0.003 0.000 3/28800 510.0 0.118 0.122 0.100 0.000 -0.003 0.000 3/28800 520.0 0.116 0.120 0.099 0.000 -0.003 0.000 3/28800 530.0 0.113 0.118 0.097 0.000 -0.003 0.000 3/28800 540.0 0.111 0.116 0.095 0.000 -0.003 0.000 3/28800 550.0 0.110 0.114 0.093 0.000 -0.003 0.000 3/28800 560.0 0.108 0.112 0.092 0.000 -0.003 0.000 3/28800 570.0 0.106 0.110 0.090 0.000 -0.003 0.000 3/28800 580.0 0.104 0.108 0.089 0.000 -0.003 0.000 3/28800 590.0 0.102 0.106 0.087 0.000 -0.003 0.000 3/28800 600.0 0.101 0.105 0.086 0.000 -0.003 0.000 3/28800 610.0 0.099 0.103 0.085 0.000 -0.003 0.000 3/28800 620.0 0.098 0.102 0.083 0.000 -0.003 0.000 3/28800 630.0 0.096 0.100 0.082 0.000 -0.003 0.000 3/28800 640.0 0.095 0.099 0.081 0.000 -0.003 0.000 3/28800 650.0 0.093 0.097 0.080 0.000 -0.002 0.000 3/28800 660.0 0.092 0.096 0.078 0.000 -0.002 0.000 3/28800 670.0 0.091 0.094 0.077 0.000 -0.002 0.000 3/28800 680.0 0.089 0.093 0.076 0.000 -0.002 0.000 3/28800 690.0 0.088 0.092 0.075 0.000 -0.002 0.000 3/28800 700.0 0.087 0.090 0.074 0.000 -0.002 0.000 3/28800 710.0 0.086 0.089 0.073 0.000 -0.002 0.000 3/28800 720.0 0.085 0.088 0.072 0.000 -0.002 0.000 3/28800 730.0 0.083 0.087 0.071 0.000 -0.002 0.000 3/28800 740.0 0.082 0.086 0.070 0.000 -0.002 0.000 3/28800 750.0 0.081 0.085 0.069 0.000 -0.002 0.000 3/28800 760.0 0.080 0.084 0.068 0.000 -0.002 0.000 3/28800 770.0 0.079 0.082 0.067 0.000 -0.002 0.000 3/28800 780.0 0.078 0.081 0.067 0.000 -0.002 0.000 3/28800 790.0 0.077 0.080 0.066 0.000 -0.002 0.000 3/28800 800.0 0.076 0.079 0.065 0.000 -0.002 0.000 3/28800 810.0 0.075 0.079 0.064 0.000 -0.002 0.000 3/28800 820.0 0.074 0.078 0.063 0.000 -0.002 0.000 3/28800 830.0 0.074 0.077 0.063 0.000 -0.002 0.000 3/28800 840.0 0.073 0.076 0.062 0.000 -0.002 0.000 3/28800 850.0 0.072 0.075 0.061 0.000 -0.002 0.000 3/28800 860.0 0.071 0.074 0.060 0.000 -0.002 0.000 3/28800 870.0 0.070 0.073 0.060 0.000 -0.002 0.000 3/28800 880.0 0.070 0.072 0.059 0.000 -0.002 0.000 3/28800 890.0 0.069 0.072 0.058 0.000 -0.002 0.000 3/28800 900.0 0.068 0.071 0.058 0.000 -0.002 0.000 3/28800 910.0 0.067 0.070 0.057 0.000 -0.002 0.000 3/28800 920.0 0.067 0.069 0.057 0.000 -0.002 0.000 3/28800 930.0 0.066 0.069 0.056 0.000 -0.002 0.000 3/28800 940.0 0.065 0.068 0.055 0.000 -0.002 0.000 3/28800 950.0 0.064 0.067 0.055 0.000 -0.002 0.000 3/28800 960.0 0.064 0.067 0.054 0.000 -0.002 0.000 3/28800 970.0 0.063 0.066 0.054 0.000 -0.002 0.000 3/28800 980.0 0.063 0.065 0.053 0.000 -0.002 0.000 3/28800 990.0 0.062 0.065 0.053 0.000 -0.002 0.000 3/28800 1000.0 0.061 0.064 0.052 0.000 -0.002 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1086.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:18:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|