----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:51:04]------------------------- 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 7.564889130003353 0.000000000000000 0.000000000000000 b 0.000000000000000 5.669463990000000 0.000000000000000 c -3.033203757602386 0.000000000000000 7.190470725181340 Atomic positions (fractional): *1 O 0.62786380887912 0.37220987646859 0.73049696117514 15.999 2 O 0.37213619112087 0.87220987646859 0.76950303882486 15.999 3 O 0.37213619112087 0.62779012353141 0.26950303882485 15.999 4 O 0.62786380887912 0.12779012353141 0.23049696117515 15.999 *5 O 0.19136094610238 0.09311837657410 0.04978980428514 15.999 6 O 0.80863905389762 0.59311837657410 0.45021019571486 15.999 7 O 0.80863905389762 0.90688162342590 0.95021019571486 15.999 8 O 0.19136094610238 0.40688162342590 0.54978980428514 15.999 *9 O 0.07176894720246 0.56369790668094 0.86150832551386 15.999 10 O 0.92823105279754 0.06369790668094 0.63849167448614 15.999 11 O 0.92823105279754 0.43630209331906 0.13849167448614 15.999 12 O 0.07176894720246 0.93630209331906 0.36150832551385 15.999 *13 Pb 0.90941344601716 0.24569104798884 0.88279716093554 207.200 14 Pb 0.09058655398284 0.74569104798884 0.61720283906446 207.200 15 Pb 0.09058655398284 0.75430895201116 0.11720283906446 207.200 16 Pb 0.90941344601716 0.25430895201116 0.38279716093554 207.200 *17 Pb 0.38843668426652 0.25962712133282 0.85832578704371 207.200 18 Pb 0.61156331573348 0.75962712133282 0.64167421295629 207.200 19 Pb 0.61156331573348 0.74037287866718 0.14167421295629 207.200 20 Pb 0.38843668426652 0.24037287866718 0.35832578704371 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.564889130003353 0.000000000000000 0.000000000000000 b 0.000000000000000 5.669463990000000 0.000000000000000 c -3.033203757602386 0.000000000000000 7.190470725181340 Atomic positions (fractional): *1 O 0.62786380887912 0.37220987646859 0.73049696117514 15.999 > 1 2 O 0.37213619112087 0.87220987646859 0.76950303882486 15.999 > 2 3 O 0.37213619112087 0.62779012353141 0.26950303882485 15.999 > 3 4 O 0.62786380887912 0.12779012353141 0.23049696117515 15.999 > 4 *5 O 0.19136094610238 0.09311837657410 0.04978980428514 15.999 > 5 6 O 0.80863905389762 0.59311837657410 0.45021019571486 15.999 > 6 7 O 0.80863905389762 0.90688162342590 0.95021019571486 15.999 > 7 8 O 0.19136094610238 0.40688162342590 0.54978980428514 15.999 > 8 *9 O 0.07176894720246 0.56369790668094 0.86150832551386 15.999 > 9 10 O 0.92823105279754 0.06369790668094 0.63849167448614 15.999 > 10 11 O 0.92823105279754 0.43630209331906 0.13849167448614 15.999 > 11 12 O 0.07176894720246 0.93630209331906 0.36150832551385 15.999 > 12 *13 Pb 0.90941344601716 0.24569104798884 0.88279716093554 207.200 > 13 14 Pb 0.09058655398284 0.74569104798884 0.61720283906446 207.200 > 14 15 Pb 0.09058655398284 0.75430895201116 0.11720283906446 207.200 > 15 16 Pb 0.90941344601716 0.25430895201116 0.38279716093554 207.200 > 16 *17 Pb 0.38843668426652 0.25962712133282 0.85832578704371 207.200 > 17 18 Pb 0.61156331573348 0.75962712133282 0.64167421295629 207.200 > 18 19 Pb 0.61156331573348 0.74037287866718 0.14167421295629 207.200 > 19 20 Pb 0.38843668426652 0.24037287866718 0.35832578704371 207.200 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.129778260006706 0.000000000000000 0.000000000000000 b 0.000000000000000 11.338927979999999 0.000000000000000 c -3.033203757602386 0.000000000000000 7.190470725181340 Atomic positions (fractional): *1 O 0.31393190443956 0.18610493823429 0.73049696117514 15.999 > 1 2 O 0.81393190443956 0.18610493823429 0.73049696117514 15.999 > 1 3 O 0.31393190443956 0.68610493823429 0.73049696117514 15.999 > 1 4 O 0.81393190443956 0.68610493823429 0.73049696117514 15.999 > 1 5 O 0.18606809556044 0.43610493823429 0.76950303882486 15.999 > 2 6 O 0.68606809556044 0.43610493823429 0.76950303882486 15.999 > 2 7 O 0.18606809556044 0.93610493823429 0.76950303882486 15.999 > 2 8 O 0.68606809556044 0.93610493823429 0.76950303882486 15.999 > 2 9 O 0.18606809556044 0.31389506176571 0.26950303882485 15.999 > 3 10 O 0.68606809556044 0.31389506176571 0.26950303882485 15.999 > 3 11 O 0.18606809556044 0.81389506176571 0.26950303882485 15.999 > 3 12 O 0.68606809556044 0.81389506176571 0.26950303882485 15.999 > 3 13 O 0.31393190443956 0.06389506176571 0.23049696117515 15.999 > 4 14 O 0.81393190443956 0.06389506176571 0.23049696117515 15.999 > 4 15 O 0.31393190443956 0.56389506176571 0.23049696117515 15.999 > 4 16 O 0.81393190443956 0.56389506176571 0.23049696117515 15.999 > 4 *17 O 0.09568047305119 0.04655918828705 0.04978980428514 15.999 > 5 18 O 0.59568047305119 0.04655918828705 0.04978980428514 15.999 > 5 19 O 0.09568047305119 0.54655918828705 0.04978980428514 15.999 > 5 20 O 0.59568047305119 0.54655918828705 0.04978980428514 15.999 > 5 21 O 0.40431952694881 0.29655918828705 0.45021019571486 15.999 > 6 22 O 0.90431952694881 0.29655918828705 0.45021019571486 15.999 > 6 23 O 0.40431952694881 0.79655918828705 0.45021019571486 15.999 > 6 24 O 0.90431952694881 0.79655918828705 0.45021019571486 15.999 > 6 25 O 0.40431952694881 0.45344081171295 0.95021019571486 15.999 > 7 26 O 0.90431952694881 0.45344081171295 0.95021019571486 15.999 > 7 27 O 0.40431952694881 0.95344081171295 0.95021019571486 15.999 > 7 28 O 0.90431952694881 0.95344081171295 0.95021019571486 15.999 > 7 29 O 0.09568047305119 0.20344081171295 0.54978980428514 15.999 > 8 30 O 0.59568047305119 0.20344081171295 0.54978980428514 15.999 > 8 31 O 0.09568047305119 0.70344081171295 0.54978980428514 15.999 > 8 32 O 0.59568047305119 0.70344081171295 0.54978980428514 15.999 > 8 *33 O 0.03588447360123 0.28184895334047 0.86150832551386 15.999 > 9 34 O 0.53588447360123 0.28184895334047 0.86150832551386 15.999 > 9 35 O 0.03588447360123 0.78184895334047 0.86150832551386 15.999 > 9 36 O 0.53588447360123 0.78184895334047 0.86150832551386 15.999 > 9 37 O 0.46411552639877 0.03184895334047 0.63849167448614 15.999 > 10 38 O 0.96411552639877 0.03184895334047 0.63849167448614 15.999 > 10 39 O 0.46411552639877 0.53184895334047 0.63849167448614 15.999 > 10 40 O 0.96411552639877 0.53184895334047 0.63849167448614 15.999 > 10 41 O 0.46411552639877 0.21815104665953 0.13849167448614 15.999 > 11 42 O 0.96411552639877 0.21815104665953 0.13849167448614 15.999 > 11 43 O 0.46411552639877 0.71815104665953 0.13849167448614 15.999 > 11 44 O 0.96411552639877 0.71815104665953 0.13849167448614 15.999 > 11 45 O 0.03588447360123 0.46815104665953 0.36150832551385 15.999 > 12 46 O 0.53588447360123 0.46815104665953 0.36150832551385 15.999 > 12 47 O 0.03588447360123 0.96815104665953 0.36150832551385 15.999 > 12 48 O 0.53588447360123 0.96815104665953 0.36150832551385 15.999 > 12 *49 Pb 0.45470672300858 0.12284552399442 0.88279716093554 207.200 > 13 50 Pb 0.95470672300858 0.12284552399442 0.88279716093554 207.200 > 13 51 Pb 0.45470672300858 0.62284552399442 0.88279716093554 207.200 > 13 52 Pb 0.95470672300858 0.62284552399442 0.88279716093554 207.200 > 13 53 Pb 0.04529327699142 0.37284552399442 0.61720283906446 207.200 > 14 54 Pb 0.54529327699142 0.37284552399442 0.61720283906446 207.200 > 14 55 Pb 0.04529327699142 0.87284552399442 0.61720283906446 207.200 > 14 56 Pb 0.54529327699142 0.87284552399442 0.61720283906446 207.200 > 14 57 Pb 0.04529327699142 0.37715447600558 0.11720283906446 207.200 > 15 58 Pb 0.54529327699142 0.37715447600558 0.11720283906446 207.200 > 15 59 Pb 0.04529327699142 0.87715447600558 0.11720283906446 207.200 > 15 60 Pb 0.54529327699142 0.87715447600558 0.11720283906446 207.200 > 15 61 Pb 0.45470672300858 0.12715447600558 0.38279716093554 207.200 > 16 62 Pb 0.95470672300858 0.12715447600558 0.38279716093554 207.200 > 16 63 Pb 0.45470672300858 0.62715447600558 0.38279716093554 207.200 > 16 64 Pb 0.95470672300858 0.62715447600558 0.38279716093554 207.200 > 16 *65 Pb 0.19421834213326 0.12981356066641 0.85832578704371 207.200 > 17 66 Pb 0.69421834213326 0.12981356066641 0.85832578704371 207.200 > 17 67 Pb 0.19421834213326 0.62981356066641 0.85832578704371 207.200 > 17 68 Pb 0.69421834213326 0.62981356066641 0.85832578704371 207.200 > 17 69 Pb 0.30578165786674 0.37981356066641 0.64167421295629 207.200 > 18 70 Pb 0.80578165786674 0.37981356066641 0.64167421295629 207.200 > 18 71 Pb 0.30578165786674 0.87981356066641 0.64167421295629 207.200 > 18 72 Pb 0.80578165786674 0.87981356066641 0.64167421295629 207.200 > 18 73 Pb 0.30578165786674 0.37018643933359 0.14167421295629 207.200 > 19 74 Pb 0.80578165786674 0.37018643933359 0.14167421295629 207.200 > 19 75 Pb 0.30578165786674 0.87018643933359 0.14167421295629 207.200 > 19 76 Pb 0.80578165786674 0.87018643933359 0.14167421295629 207.200 > 19 77 Pb 0.19421834213326 0.12018643933359 0.35832578704371 207.200 > 20 78 Pb 0.69421834213326 0.12018643933359 0.35832578704371 207.200 > 20 79 Pb 0.19421834213326 0.62018643933359 0.35832578704371 207.200 > 20 80 Pb 0.69421834213326 0.62018643933359 0.35832578704371 207.200 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4532379 0.0000000 -0.0719637 0.0000000 7.7661212 0.0000000 -0.0719643 0.0000000 7.5566862 -------------------------- Born effective charges -------------------------- 1 O -2.7443822 -0.0776044 -0.1347348 -0.0820419 -2.9550440 0.5801686 -0.1680565 0.5557578 -2.2178271 2 O -2.7443822 0.0776044 -0.1347348 0.0820419 -2.9550440 -0.5801686 -0.1680565 -0.5557578 -2.2178271 3 O -2.7443822 -0.0776044 -0.1347348 -0.0820419 -2.9550440 0.5801686 -0.1680565 0.5557578 -2.2178271 4 O -2.7443822 0.0776044 -0.1347348 0.0820419 -2.9550440 -0.5801686 -0.1680565 -0.5557578 -2.2178271 5 O -2.3862160 -0.4979100 -0.2465891 -0.4193024 -2.4915972 0.0748700 -0.3876871 0.2592399 -2.8282493 6 O -2.3862160 0.4979100 -0.2465891 0.4193024 -2.4915972 -0.0748700 -0.3876871 -0.2592399 -2.8282493 7 O -2.3862160 -0.4979100 -0.2465891 -0.4193024 -2.4915972 0.0748700 -0.3876871 0.2592399 -2.8282493 8 O -2.3862160 0.4979100 -0.2465891 0.4193024 -2.4915972 -0.0748700 -0.3876871 -0.2592399 -2.8282493 9 O -2.3723714 -0.4143452 0.6336153 -0.1145766 -2.5785425 0.0213204 0.7356889 0.1789655 -2.8372229 10 O -2.3723714 0.4143452 0.6336153 0.1145766 -2.5785425 -0.0213204 0.7356889 -0.1789655 -2.8372229 11 O -2.3723714 -0.4143452 0.6336153 -0.1145766 -2.5785425 0.0213204 0.7356889 0.1789655 -2.8372229 12 O -2.3723714 0.4143452 0.6336153 0.1145766 -2.5785425 -0.0213204 0.7356889 -0.1789655 -2.8372229 13 Pb 4.1761256 -0.1732196 -0.0186913 -0.2221849 4.7459852 0.3215233 0.1739221 0.0909966 4.5032550 14 Pb 4.1761256 0.1732196 -0.0186913 0.2221849 4.7459852 -0.3215233 0.1739221 -0.0909966 4.5032550 15 Pb 4.1761256 -0.1732196 -0.0186913 -0.2221849 4.7459852 0.3215233 0.1739221 0.0909966 4.5032550 16 Pb 4.1761256 0.1732196 -0.0186913 0.2221849 4.7459852 -0.3215233 0.1739221 -0.0909966 4.5032550 17 Pb 3.3268440 0.1154475 -0.2336001 0.2010825 3.2791986 -0.4527076 -0.3538674 -0.2981308 3.3800443 18 Pb 3.3268440 -0.1154475 -0.2336001 -0.2010825 3.2791986 0.4527076 -0.3538674 0.2981308 3.3800443 19 Pb 3.3268440 0.1154475 -0.2336001 0.2010825 3.2791986 -0.4527076 -0.3538674 -0.2981308 3.3800443 20 Pb 3.3268440 -0.1154475 -0.2336001 -0.2010825 3.2791986 0.4527076 -0.3538674 0.2981308 3.3800443 ---------------------------------------------------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 640 - Time: 2.286 Solver_block: 200 / 640 - Time: 2.220 Solver_block: 300 / 640 - Time: 2.194 Solver_block: 400 / 640 - Time: 2.220 Solver_block: 500 / 640 - Time: 2.201 Solver_block: 600 / 640 - Time: 2.191 Solver_block: 640 / 640 - Time: 0.963 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.406 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:51:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:51:43]------------------------- 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 7.564889130003353 0.000000000000000 0.000000000000000 b 0.000000000000000 5.669463990000000 0.000000000000000 c -3.033203757602386 0.000000000000000 7.190470725181340 Atomic positions (fractional): 1 O 0.62786380887912 0.37220987646859 0.73049696117514 15.999 2 O 0.37213619112087 0.87220987646859 0.76950303882486 15.999 3 O 0.37213619112087 0.62779012353141 0.26950303882485 15.999 4 O 0.62786380887912 0.12779012353141 0.23049696117515 15.999 5 O 0.19136094610238 0.09311837657410 0.04978980428514 15.999 6 O 0.80863905389762 0.59311837657410 0.45021019571486 15.999 7 O 0.80863905389762 0.90688162342590 0.95021019571486 15.999 8 O 0.19136094610238 0.40688162342590 0.54978980428514 15.999 9 O 0.07176894720246 0.56369790668094 0.86150832551386 15.999 10 O 0.92823105279754 0.06369790668094 0.63849167448614 15.999 11 O 0.92823105279754 0.43630209331906 0.13849167448614 15.999 12 O 0.07176894720246 0.93630209331906 0.36150832551385 15.999 13 Pb 0.90941344601716 0.24569104798884 0.88279716093554 207.200 14 Pb 0.09058655398284 0.74569104798884 0.61720283906446 207.200 15 Pb 0.09058655398284 0.75430895201116 0.11720283906446 207.200 16 Pb 0.90941344601716 0.25430895201116 0.38279716093554 207.200 17 Pb 0.38843668426652 0.25962712133282 0.85832578704371 207.200 18 Pb 0.61156331573348 0.75962712133282 0.64167421295629 207.200 19 Pb 0.61156331573348 0.74037287866718 0.14167421295629 207.200 20 Pb 0.38843668426652 0.24037287866718 0.35832578704371 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.129778260006706 0.000000000000000 0.000000000000000 b 0.000000000000000 11.338927979999999 0.000000000000000 c -3.033203757602386 0.000000000000000 7.190470725181340 Atomic positions (fractional): 1 O 0.31393190443956 0.18610493823429 0.73049696117514 15.999 > 1 2 O 0.81393190443956 0.18610493823429 0.73049696117514 15.999 > 1 3 O 0.31393190443956 0.68610493823429 0.73049696117514 15.999 > 1 4 O 0.81393190443956 0.68610493823429 0.73049696117514 15.999 > 1 5 O 0.18606809556044 0.43610493823429 0.76950303882486 15.999 > 5 6 O 0.68606809556044 0.43610493823429 0.76950303882486 15.999 > 5 7 O 0.18606809556044 0.93610493823429 0.76950303882486 15.999 > 5 8 O 0.68606809556044 0.93610493823429 0.76950303882486 15.999 > 5 9 O 0.18606809556044 0.31389506176571 0.26950303882485 15.999 > 9 10 O 0.68606809556044 0.31389506176571 0.26950303882485 15.999 > 9 11 O 0.18606809556044 0.81389506176571 0.26950303882485 15.999 > 9 12 O 0.68606809556044 0.81389506176571 0.26950303882485 15.999 > 9 13 O 0.31393190443956 0.06389506176571 0.23049696117515 15.999 > 13 14 O 0.81393190443956 0.06389506176571 0.23049696117515 15.999 > 13 15 O 0.31393190443956 0.56389506176571 0.23049696117515 15.999 > 13 16 O 0.81393190443956 0.56389506176571 0.23049696117515 15.999 > 13 17 O 0.09568047305119 0.04655918828705 0.04978980428514 15.999 > 17 18 O 0.59568047305119 0.04655918828705 0.04978980428514 15.999 > 17 19 O 0.09568047305119 0.54655918828705 0.04978980428514 15.999 > 17 20 O 0.59568047305119 0.54655918828705 0.04978980428514 15.999 > 17 21 O 0.40431952694881 0.29655918828705 0.45021019571486 15.999 > 21 22 O 0.90431952694881 0.29655918828705 0.45021019571486 15.999 > 21 23 O 0.40431952694881 0.79655918828705 0.45021019571486 15.999 > 21 24 O 0.90431952694881 0.79655918828705 0.45021019571486 15.999 > 21 25 O 0.40431952694881 0.45344081171295 0.95021019571486 15.999 > 25 26 O 0.90431952694881 0.45344081171295 0.95021019571486 15.999 > 25 27 O 0.40431952694881 0.95344081171295 0.95021019571486 15.999 > 25 28 O 0.90431952694881 0.95344081171295 0.95021019571486 15.999 > 25 29 O 0.09568047305119 0.20344081171295 0.54978980428514 15.999 > 29 30 O 0.59568047305119 0.20344081171295 0.54978980428514 15.999 > 29 31 O 0.09568047305119 0.70344081171295 0.54978980428514 15.999 > 29 32 O 0.59568047305119 0.70344081171295 0.54978980428514 15.999 > 29 33 O 0.03588447360123 0.28184895334047 0.86150832551386 15.999 > 33 34 O 0.53588447360123 0.28184895334047 0.86150832551386 15.999 > 33 35 O 0.03588447360123 0.78184895334047 0.86150832551386 15.999 > 33 36 O 0.53588447360123 0.78184895334047 0.86150832551386 15.999 > 33 37 O 0.46411552639877 0.03184895334047 0.63849167448614 15.999 > 37 38 O 0.96411552639877 0.03184895334047 0.63849167448614 15.999 > 37 39 O 0.46411552639877 0.53184895334047 0.63849167448614 15.999 > 37 40 O 0.96411552639877 0.53184895334047 0.63849167448614 15.999 > 37 41 O 0.46411552639877 0.21815104665953 0.13849167448614 15.999 > 41 42 O 0.96411552639877 0.21815104665953 0.13849167448614 15.999 > 41 43 O 0.46411552639877 0.71815104665953 0.13849167448614 15.999 > 41 44 O 0.96411552639877 0.71815104665953 0.13849167448614 15.999 > 41 45 O 0.03588447360123 0.46815104665953 0.36150832551385 15.999 > 45 46 O 0.53588447360123 0.46815104665953 0.36150832551385 15.999 > 45 47 O 0.03588447360123 0.96815104665953 0.36150832551385 15.999 > 45 48 O 0.53588447360123 0.96815104665953 0.36150832551385 15.999 > 45 49 Pb 0.45470672300858 0.12284552399442 0.88279716093554 207.200 > 49 50 Pb 0.95470672300858 0.12284552399442 0.88279716093554 207.200 > 49 51 Pb 0.45470672300858 0.62284552399442 0.88279716093554 207.200 > 49 52 Pb 0.95470672300858 0.62284552399442 0.88279716093554 207.200 > 49 53 Pb 0.04529327699142 0.37284552399442 0.61720283906446 207.200 > 53 54 Pb 0.54529327699142 0.37284552399442 0.61720283906446 207.200 > 53 55 Pb 0.04529327699142 0.87284552399442 0.61720283906446 207.200 > 53 56 Pb 0.54529327699142 0.87284552399442 0.61720283906446 207.200 > 53 57 Pb 0.04529327699142 0.37715447600558 0.11720283906446 207.200 > 57 58 Pb 0.54529327699142 0.37715447600558 0.11720283906446 207.200 > 57 59 Pb 0.04529327699142 0.87715447600558 0.11720283906446 207.200 > 57 60 Pb 0.54529327699142 0.87715447600558 0.11720283906446 207.200 > 57 61 Pb 0.45470672300858 0.12715447600558 0.38279716093554 207.200 > 61 62 Pb 0.95470672300858 0.12715447600558 0.38279716093554 207.200 > 61 63 Pb 0.45470672300858 0.62715447600558 0.38279716093554 207.200 > 61 64 Pb 0.95470672300858 0.62715447600558 0.38279716093554 207.200 > 61 65 Pb 0.19421834213326 0.12981356066641 0.85832578704371 207.200 > 65 66 Pb 0.69421834213326 0.12981356066641 0.85832578704371 207.200 > 65 67 Pb 0.19421834213326 0.62981356066641 0.85832578704371 207.200 > 65 68 Pb 0.69421834213326 0.62981356066641 0.85832578704371 207.200 > 65 69 Pb 0.30578165786674 0.37981356066641 0.64167421295629 207.200 > 69 70 Pb 0.80578165786674 0.37981356066641 0.64167421295629 207.200 > 69 71 Pb 0.30578165786674 0.87981356066641 0.64167421295629 207.200 > 69 72 Pb 0.80578165786674 0.87981356066641 0.64167421295629 207.200 > 69 73 Pb 0.30578165786674 0.37018643933359 0.14167421295629 207.200 > 73 74 Pb 0.80578165786674 0.37018643933359 0.14167421295629 207.200 > 73 75 Pb 0.30578165786674 0.87018643933359 0.14167421295629 207.200 > 73 76 Pb 0.80578165786674 0.87018643933359 0.14167421295629 207.200 > 73 77 Pb 0.19421834213326 0.12018643933359 0.35832578704371 207.200 > 77 78 Pb 0.69421834213326 0.12018643933359 0.35832578704371 207.200 > 77 79 Pb 0.19421834213326 0.62018643933359 0.35832578704371 207.200 > 77 80 Pb 0.69421834213326 0.62018643933359 0.35832578704371 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4532379 0.0000000 -0.0719637 0.0000000 7.7661212 0.0000000 -0.0719643 0.0000000 7.5566862 -------------------------- Born effective charges -------------------------- 1 O -2.7443822 -0.0776044 -0.1347348 -0.0820419 -2.9550440 0.5801686 -0.1680565 0.5557578 -2.2178271 2 O -2.7443822 0.0776044 -0.1347348 0.0820419 -2.9550440 -0.5801686 -0.1680565 -0.5557578 -2.2178271 3 O -2.7443822 -0.0776044 -0.1347348 -0.0820419 -2.9550440 0.5801686 -0.1680565 0.5557578 -2.2178271 4 O -2.7443822 0.0776044 -0.1347348 0.0820419 -2.9550440 -0.5801686 -0.1680565 -0.5557578 -2.2178271 5 O -2.3862160 -0.4979100 -0.2465891 -0.4193024 -2.4915972 0.0748700 -0.3876871 0.2592399 -2.8282493 6 O -2.3862160 0.4979100 -0.2465891 0.4193024 -2.4915972 -0.0748700 -0.3876871 -0.2592399 -2.8282493 7 O -2.3862160 -0.4979100 -0.2465891 -0.4193024 -2.4915972 0.0748700 -0.3876871 0.2592399 -2.8282493 8 O -2.3862160 0.4979100 -0.2465891 0.4193024 -2.4915972 -0.0748700 -0.3876871 -0.2592399 -2.8282493 9 O -2.3723714 -0.4143452 0.6336153 -0.1145766 -2.5785425 0.0213204 0.7356889 0.1789655 -2.8372229 10 O -2.3723714 0.4143452 0.6336153 0.1145766 -2.5785425 -0.0213204 0.7356889 -0.1789655 -2.8372229 11 O -2.3723714 -0.4143452 0.6336153 -0.1145766 -2.5785425 0.0213204 0.7356889 0.1789655 -2.8372229 12 O -2.3723714 0.4143452 0.6336153 0.1145766 -2.5785425 -0.0213204 0.7356889 -0.1789655 -2.8372229 13 Pb 4.1761256 -0.1732196 -0.0186913 -0.2221849 4.7459852 0.3215233 0.1739221 0.0909966 4.5032550 14 Pb 4.1761256 0.1732196 -0.0186913 0.2221849 4.7459852 -0.3215233 0.1739221 -0.0909966 4.5032550 15 Pb 4.1761256 -0.1732196 -0.0186913 -0.2221849 4.7459852 0.3215233 0.1739221 0.0909966 4.5032550 16 Pb 4.1761256 0.1732196 -0.0186913 0.2221849 4.7459852 -0.3215233 0.1739221 -0.0909966 4.5032550 17 Pb 3.3268440 0.1154475 -0.2336001 0.2010825 3.2791986 -0.4527076 -0.3538674 -0.2981308 3.3800443 18 Pb 3.3268440 -0.1154475 -0.2336001 -0.2010825 3.2791986 0.4527076 -0.3538674 0.2981308 3.3800443 19 Pb 3.3268440 0.1154475 -0.2336001 0.2010825 3.2791986 -0.4527076 -0.3538674 -0.2981308 3.3800443 20 Pb 3.3268440 -0.1154475 -0.2336001 -0.2010825 3.2791986 0.4527076 -0.3538674 0.2981308 3.3800443 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zy) -0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:51:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:51:58]------------------------- 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 7.564889130003353 0.000000000000000 0.000000000000000 b 0.000000000000000 5.669463990000000 0.000000000000000 c -3.033203757602386 0.000000000000000 7.190470725181340 Atomic positions (fractional): 1 O 0.62786380887912 0.37220987646859 0.73049696117514 15.999 2 O 0.37213619112087 0.87220987646859 0.76950303882486 15.999 3 O 0.37213619112087 0.62779012353141 0.26950303882485 15.999 4 O 0.62786380887912 0.12779012353141 0.23049696117515 15.999 5 O 0.19136094610238 0.09311837657410 0.04978980428514 15.999 6 O 0.80863905389762 0.59311837657410 0.45021019571486 15.999 7 O 0.80863905389762 0.90688162342590 0.95021019571486 15.999 8 O 0.19136094610238 0.40688162342590 0.54978980428514 15.999 9 O 0.07176894720246 0.56369790668094 0.86150832551386 15.999 10 O 0.92823105279754 0.06369790668094 0.63849167448614 15.999 11 O 0.92823105279754 0.43630209331906 0.13849167448614 15.999 12 O 0.07176894720246 0.93630209331906 0.36150832551385 15.999 13 Pb 0.90941344601716 0.24569104798884 0.88279716093554 207.200 14 Pb 0.09058655398284 0.74569104798884 0.61720283906446 207.200 15 Pb 0.09058655398284 0.75430895201116 0.11720283906446 207.200 16 Pb 0.90941344601716 0.25430895201116 0.38279716093554 207.200 17 Pb 0.38843668426652 0.25962712133282 0.85832578704371 207.200 18 Pb 0.61156331573348 0.75962712133282 0.64167421295629 207.200 19 Pb 0.61156331573348 0.74037287866718 0.14167421295629 207.200 20 Pb 0.38843668426652 0.24037287866718 0.35832578704371 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.129778260006706 0.000000000000000 0.000000000000000 b 0.000000000000000 11.338927979999999 0.000000000000000 c -3.033203757602386 0.000000000000000 7.190470725181340 Atomic positions (fractional): 1 O 0.31393190443956 0.18610493823429 0.73049696117514 15.999 > 1 2 O 0.81393190443956 0.18610493823429 0.73049696117514 15.999 > 1 3 O 0.31393190443956 0.68610493823429 0.73049696117514 15.999 > 1 4 O 0.81393190443956 0.68610493823429 0.73049696117514 15.999 > 1 5 O 0.18606809556044 0.43610493823429 0.76950303882486 15.999 > 5 6 O 0.68606809556044 0.43610493823429 0.76950303882486 15.999 > 5 7 O 0.18606809556044 0.93610493823429 0.76950303882486 15.999 > 5 8 O 0.68606809556044 0.93610493823429 0.76950303882486 15.999 > 5 9 O 0.18606809556044 0.31389506176571 0.26950303882485 15.999 > 9 10 O 0.68606809556044 0.31389506176571 0.26950303882485 15.999 > 9 11 O 0.18606809556044 0.81389506176571 0.26950303882485 15.999 > 9 12 O 0.68606809556044 0.81389506176571 0.26950303882485 15.999 > 9 13 O 0.31393190443956 0.06389506176571 0.23049696117515 15.999 > 13 14 O 0.81393190443956 0.06389506176571 0.23049696117515 15.999 > 13 15 O 0.31393190443956 0.56389506176571 0.23049696117515 15.999 > 13 16 O 0.81393190443956 0.56389506176571 0.23049696117515 15.999 > 13 17 O 0.09568047305119 0.04655918828705 0.04978980428514 15.999 > 17 18 O 0.59568047305119 0.04655918828705 0.04978980428514 15.999 > 17 19 O 0.09568047305119 0.54655918828705 0.04978980428514 15.999 > 17 20 O 0.59568047305119 0.54655918828705 0.04978980428514 15.999 > 17 21 O 0.40431952694881 0.29655918828705 0.45021019571486 15.999 > 21 22 O 0.90431952694881 0.29655918828705 0.45021019571486 15.999 > 21 23 O 0.40431952694881 0.79655918828705 0.45021019571486 15.999 > 21 24 O 0.90431952694881 0.79655918828705 0.45021019571486 15.999 > 21 25 O 0.40431952694881 0.45344081171295 0.95021019571486 15.999 > 25 26 O 0.90431952694881 0.45344081171295 0.95021019571486 15.999 > 25 27 O 0.40431952694881 0.95344081171295 0.95021019571486 15.999 > 25 28 O 0.90431952694881 0.95344081171295 0.95021019571486 15.999 > 25 29 O 0.09568047305119 0.20344081171295 0.54978980428514 15.999 > 29 30 O 0.59568047305119 0.20344081171295 0.54978980428514 15.999 > 29 31 O 0.09568047305119 0.70344081171295 0.54978980428514 15.999 > 29 32 O 0.59568047305119 0.70344081171295 0.54978980428514 15.999 > 29 33 O 0.03588447360123 0.28184895334047 0.86150832551386 15.999 > 33 34 O 0.53588447360123 0.28184895334047 0.86150832551386 15.999 > 33 35 O 0.03588447360123 0.78184895334047 0.86150832551386 15.999 > 33 36 O 0.53588447360123 0.78184895334047 0.86150832551386 15.999 > 33 37 O 0.46411552639877 0.03184895334047 0.63849167448614 15.999 > 37 38 O 0.96411552639877 0.03184895334047 0.63849167448614 15.999 > 37 39 O 0.46411552639877 0.53184895334047 0.63849167448614 15.999 > 37 40 O 0.96411552639877 0.53184895334047 0.63849167448614 15.999 > 37 41 O 0.46411552639877 0.21815104665953 0.13849167448614 15.999 > 41 42 O 0.96411552639877 0.21815104665953 0.13849167448614 15.999 > 41 43 O 0.46411552639877 0.71815104665953 0.13849167448614 15.999 > 41 44 O 0.96411552639877 0.71815104665953 0.13849167448614 15.999 > 41 45 O 0.03588447360123 0.46815104665953 0.36150832551385 15.999 > 45 46 O 0.53588447360123 0.46815104665953 0.36150832551385 15.999 > 45 47 O 0.03588447360123 0.96815104665953 0.36150832551385 15.999 > 45 48 O 0.53588447360123 0.96815104665953 0.36150832551385 15.999 > 45 49 Pb 0.45470672300858 0.12284552399442 0.88279716093554 207.200 > 49 50 Pb 0.95470672300858 0.12284552399442 0.88279716093554 207.200 > 49 51 Pb 0.45470672300858 0.62284552399442 0.88279716093554 207.200 > 49 52 Pb 0.95470672300858 0.62284552399442 0.88279716093554 207.200 > 49 53 Pb 0.04529327699142 0.37284552399442 0.61720283906446 207.200 > 53 54 Pb 0.54529327699142 0.37284552399442 0.61720283906446 207.200 > 53 55 Pb 0.04529327699142 0.87284552399442 0.61720283906446 207.200 > 53 56 Pb 0.54529327699142 0.87284552399442 0.61720283906446 207.200 > 53 57 Pb 0.04529327699142 0.37715447600558 0.11720283906446 207.200 > 57 58 Pb 0.54529327699142 0.37715447600558 0.11720283906446 207.200 > 57 59 Pb 0.04529327699142 0.87715447600558 0.11720283906446 207.200 > 57 60 Pb 0.54529327699142 0.87715447600558 0.11720283906446 207.200 > 57 61 Pb 0.45470672300858 0.12715447600558 0.38279716093554 207.200 > 61 62 Pb 0.95470672300858 0.12715447600558 0.38279716093554 207.200 > 61 63 Pb 0.45470672300858 0.62715447600558 0.38279716093554 207.200 > 61 64 Pb 0.95470672300858 0.62715447600558 0.38279716093554 207.200 > 61 65 Pb 0.19421834213326 0.12981356066641 0.85832578704371 207.200 > 65 66 Pb 0.69421834213326 0.12981356066641 0.85832578704371 207.200 > 65 67 Pb 0.19421834213326 0.62981356066641 0.85832578704371 207.200 > 65 68 Pb 0.69421834213326 0.62981356066641 0.85832578704371 207.200 > 65 69 Pb 0.30578165786674 0.37981356066641 0.64167421295629 207.200 > 69 70 Pb 0.80578165786674 0.37981356066641 0.64167421295629 207.200 > 69 71 Pb 0.30578165786674 0.87981356066641 0.64167421295629 207.200 > 69 72 Pb 0.80578165786674 0.87981356066641 0.64167421295629 207.200 > 69 73 Pb 0.30578165786674 0.37018643933359 0.14167421295629 207.200 > 73 74 Pb 0.80578165786674 0.37018643933359 0.14167421295629 207.200 > 73 75 Pb 0.30578165786674 0.87018643933359 0.14167421295629 207.200 > 73 76 Pb 0.80578165786674 0.87018643933359 0.14167421295629 207.200 > 73 77 Pb 0.19421834213326 0.12018643933359 0.35832578704371 207.200 > 77 78 Pb 0.69421834213326 0.12018643933359 0.35832578704371 207.200 > 77 79 Pb 0.19421834213326 0.62018643933359 0.35832578704371 207.200 > 77 80 Pb 0.69421834213326 0.62018643933359 0.35832578704371 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4532379 0.0000000 -0.0719637 0.0000000 7.7661212 0.0000000 -0.0719643 0.0000000 7.5566862 -------------------------- Born effective charges -------------------------- 1 O -2.7443822 -0.0776044 -0.1347348 -0.0820419 -2.9550440 0.5801686 -0.1680565 0.5557578 -2.2178271 2 O -2.7443822 0.0776044 -0.1347348 0.0820419 -2.9550440 -0.5801686 -0.1680565 -0.5557578 -2.2178271 3 O -2.7443822 -0.0776044 -0.1347348 -0.0820419 -2.9550440 0.5801686 -0.1680565 0.5557578 -2.2178271 4 O -2.7443822 0.0776044 -0.1347348 0.0820419 -2.9550440 -0.5801686 -0.1680565 -0.5557578 -2.2178271 5 O -2.3862160 -0.4979100 -0.2465891 -0.4193024 -2.4915972 0.0748700 -0.3876871 0.2592399 -2.8282493 6 O -2.3862160 0.4979100 -0.2465891 0.4193024 -2.4915972 -0.0748700 -0.3876871 -0.2592399 -2.8282493 7 O -2.3862160 -0.4979100 -0.2465891 -0.4193024 -2.4915972 0.0748700 -0.3876871 0.2592399 -2.8282493 8 O -2.3862160 0.4979100 -0.2465891 0.4193024 -2.4915972 -0.0748700 -0.3876871 -0.2592399 -2.8282493 9 O -2.3723714 -0.4143452 0.6336153 -0.1145766 -2.5785425 0.0213204 0.7356889 0.1789655 -2.8372229 10 O -2.3723714 0.4143452 0.6336153 0.1145766 -2.5785425 -0.0213204 0.7356889 -0.1789655 -2.8372229 11 O -2.3723714 -0.4143452 0.6336153 -0.1145766 -2.5785425 0.0213204 0.7356889 0.1789655 -2.8372229 12 O -2.3723714 0.4143452 0.6336153 0.1145766 -2.5785425 -0.0213204 0.7356889 -0.1789655 -2.8372229 13 Pb 4.1761256 -0.1732196 -0.0186913 -0.2221849 4.7459852 0.3215233 0.1739221 0.0909966 4.5032550 14 Pb 4.1761256 0.1732196 -0.0186913 0.2221849 4.7459852 -0.3215233 0.1739221 -0.0909966 4.5032550 15 Pb 4.1761256 -0.1732196 -0.0186913 -0.2221849 4.7459852 0.3215233 0.1739221 0.0909966 4.5032550 16 Pb 4.1761256 0.1732196 -0.0186913 0.2221849 4.7459852 -0.3215233 0.1739221 -0.0909966 4.5032550 17 Pb 3.3268440 0.1154475 -0.2336001 0.2010825 3.2791986 -0.4527076 -0.3538674 -0.2981308 3.3800443 18 Pb 3.3268440 -0.1154475 -0.2336001 -0.2010825 3.2791986 0.4527076 -0.3538674 0.2981308 3.3800443 19 Pb 3.3268440 0.1154475 -0.2336001 0.2010825 3.2791986 -0.4527076 -0.3538674 -0.2981308 3.3800443 20 Pb 3.3268440 -0.1154475 -0.2336001 -0.2010825 3.2791986 0.4527076 -0.3538674 0.2981308 3.3800443 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 305, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 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 1.244 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.763 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.368 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.479 ( 0.000 0.000 0.000) 0.000 11.741 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.679 ( 0.000 0.000 0.000) 0.000 13.449 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.561 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 13.946 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 15.001 ( 0.000 0.000 0.000) 0.000 15.197 ( 0.000 0.000 0.000) 0.000 15.320 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 17.215 0.000 3.045) 17.482 0.397 ( 20.022 0.000 -0.464) 20.028 0.703 ( 32.710 0.000 5.820) 33.224 1.295 ( 5.352 0.000 -1.896) 5.678 1.404 ( 1.824 0.000 -8.775) 8.963 1.505 ( 6.346 0.000 -1.213) 6.461 1.670 ( 0.702 0.000 2.172) 2.282 1.705 ( 1.588 0.000 3.953) 4.260 1.976 ( -8.640 0.000 -6.952) 11.089 1.987 ( 7.165 0.000 2.437) 7.568 2.195 ( 2.556 0.000 -4.262) 4.970 2.200 ( -11.034 0.000 -5.586) 12.368 2.399 ( 7.179 0.000 2.877) 7.734 2.634 ( -2.669 0.000 3.737) 4.592 2.845 ( 2.050 0.000 1.041) 2.299 2.981 ( -2.586 0.000 -0.920) 2.745 3.111 ( -3.479 0.000 3.674) 5.060 3.202 ( -1.082 0.000 3.100) 3.283 3.485 ( -5.581 0.000 -4.751) 7.329 3.610 ( 0.367 0.000 -1.499) 1.543 3.971 ( -3.370 0.000 -0.646) 3.431 4.104 ( 4.721 0.000 -2.617) 5.397 4.359 ( -0.567 0.000 -2.239) 2.309 4.515 ( -0.045 0.000 0.579) 0.580 4.995 ( -4.930 0.000 0.569) 4.963 5.375 ( 0.887 0.000 -0.755) 1.165 5.512 ( 2.564 0.000 -0.878) 2.710 5.597 ( 8.982 0.000 -11.377) 14.495 6.080 ( -0.035 0.000 -4.764) 4.765 6.225 ( 4.411 0.000 2.608) 5.124 6.442 ( 4.336 0.000 1.119) 4.478 7.012 ( -2.483 0.000 0.993) 2.674 7.436 ( 6.574 0.000 -5.433) 8.528 7.765 ( 0.420 0.000 -0.580) 0.716 8.019 ( -11.598 0.000 16.368) 20.061 8.322 ( -5.041 0.000 1.591) 5.286 8.622 ( 1.470 0.000 -0.029) 1.470 9.022 ( -3.578 0.000 -2.418) 4.318 9.433 ( 6.735 0.000 -33.872) 34.535 9.766 ( -6.754 0.000 4.600) 8.172 10.249 ( 3.250 0.000 -0.412) 3.276 10.318 ( 11.816 0.000 1.085) 11.866 10.756 ( 0.356 0.000 -1.719) 1.755 11.239 ( -5.693 0.000 0.558) 5.720 11.377 ( -0.676 0.000 -2.412) 2.505 11.455 ( -3.527 0.000 -1.251) 3.743 11.731 ( -1.914 0.000 2.178) 2.900 12.114 ( 2.955 0.000 4.077) 5.035 12.208 ( -10.942 0.000 -11.944) 16.198 12.891 ( -12.838 0.000 30.448) 33.044 13.417 ( -8.783 0.000 4.036) 9.666 13.669 ( 17.220 0.000 -0.520) 17.227 13.673 ( 1.455 0.000 -0.223) 1.472 13.937 ( 2.774 0.000 -7.279) 7.789 14.655 ( 1.228 0.000 -0.524) 1.335 14.856 ( 5.906 0.000 -15.935) 16.994 15.205 ( -1.578 0.000 5.720) 5.933 15.316 ( -0.399 0.000 0.101) 0.411 15.411 ( -6.364 0.000 13.610) 15.024 16.395 ( -0.172 0.000 1.252) 1.264 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 13.090 0.000 3.458) 13.539 0.731 ( 13.843 0.000 3.276) 14.225 1.191 ( 9.672 0.000 -3.653) 10.339 1.361 ( 2.498 0.000 -3.937) 4.663 1.456 ( 14.263 0.000 -3.102) 14.596 1.645 ( 10.444 0.000 -0.700) 10.468 1.700 ( -0.749 0.000 -0.763) 1.069 1.756 ( -5.635 0.000 -4.194) 7.025 1.791 ( 2.636 0.000 6.790) 7.284 1.971 ( -8.042 0.000 -4.820) 9.376 2.121 ( 4.320 0.000 -5.630) 7.097 2.278 ( 10.315 0.000 1.522) 10.426 2.524 ( 2.142 0.000 2.007) 2.936 2.596 ( -5.792 0.000 6.418) 8.645 2.703 ( -6.735 0.000 -5.792) 8.883 3.020 ( -0.007 0.000 4.163) 4.163 3.123 ( 1.033 0.000 4.689) 4.802 3.195 ( -2.273 0.000 -0.538) 2.335 3.307 ( -8.762 0.000 -2.081) 9.006 3.588 ( -1.828 0.000 0.290) 1.851 3.924 ( -0.670 0.000 -0.174) 0.693 4.173 ( 3.944 0.000 -2.929) 4.912 4.309 ( -1.094 0.000 -4.425) 4.558 4.518 ( -0.111 0.000 0.679) 0.688 4.896 ( -5.833 0.000 1.429) 6.005 5.389 ( 1.338 0.000 -1.434) 1.961 5.516 ( -0.751 0.000 -1.929) 2.070 5.707 ( 6.945 0.000 0.043) 6.945 6.036 ( 1.666 0.000 -9.684) 9.826 6.364 ( 6.610 0.000 2.805) 7.180 6.543 ( 4.322 0.000 1.703) 4.645 6.951 ( -6.705 0.000 6.233) 9.155 7.544 ( 9.440 0.000 -7.162) 11.849 7.786 ( 2.901 0.000 -1.223) 3.148 7.900 ( -10.255 0.000 7.328) 12.604 8.208 ( -8.154 0.000 2.453) 8.515 8.665 ( 2.540 0.000 0.511) 2.591 8.898 ( -6.690 0.000 -2.804) 7.254 9.276 ( -3.056 0.000 -11.763) 12.153 9.689 ( -5.227 0.000 4.615) 6.972 10.306 ( 2.259 0.000 0.581) 2.332 10.558 ( 9.551 0.000 2.381) 9.843 10.782 ( 5.390 0.000 -1.063) 5.493 11.070 ( -15.276 0.000 7.203) 16.889 11.337 ( 0.241 0.000 -13.986) 13.988 11.339 ( -1.770 0.000 -2.356) 2.947 11.713 ( -1.374 0.000 2.393) 2.760 12.030 ( -2.337 0.000 -1.471) 2.761 12.183 ( -0.046 0.000 3.525) 3.525 12.893 ( -5.018 0.000 12.179) 13.172 13.321 ( -3.397 0.000 3.001) 4.533 13.625 ( -6.571 0.000 1.643) 6.773 13.947 ( 12.179 0.000 -2.409) 12.415 13.951 ( 5.186 0.000 -8.767) 10.186 14.677 ( 1.444 0.000 -0.713) 1.610 14.839 ( 1.700 0.000 -5.987) 6.223 15.226 ( -1.887 0.000 7.390) 7.627 15.312 ( 0.609 0.000 -1.057) 1.220 15.393 ( -2.570 0.000 3.000) 3.951 16.403 ( -0.246 0.000 1.557) 1.576 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 2.428 0.000 1.145) 2.685 0.964 ( 6.540 0.000 5.820) 8.755 1.163 ( -1.596 0.000 -7.669) 7.833 1.372 ( 4.672 0.000 -1.049) 4.788 1.570 ( -7.316 0.000 -3.559) 8.135 1.625 ( 3.164 0.000 -0.021) 3.164 1.755 ( 0.789 0.000 -0.095) 0.794 1.840 ( -1.873 0.000 -2.152) 2.853 1.874 ( 2.850 0.000 3.177) 4.268 1.951 ( 13.459 0.000 1.881) 13.589 2.099 ( -0.104 0.000 -6.884) 6.885 2.512 ( -0.624 0.000 2.326) 2.408 2.515 ( -2.113 0.000 2.050) 2.944 2.537 ( 5.197 0.000 6.326) 8.187 2.601 ( -1.294 0.000 -3.094) 3.354 3.011 ( -9.836 0.000 -4.903) 10.990 3.071 ( 2.180 0.000 2.641) 3.424 3.149 ( -1.070 0.000 0.974) 1.447 3.242 ( -0.656 0.000 1.090) 1.272 3.560 ( -1.030 0.000 0.383) 1.099 3.949 ( 2.110 0.000 1.323) 2.491 4.140 ( -3.152 0.000 -2.809) 4.222 4.314 ( 3.049 0.000 -2.169) 3.742 4.521 ( -0.055 0.000 0.290) 0.295 4.815 ( -3.196 0.000 1.062) 3.368 5.400 ( 0.684 0.000 -0.775) 1.033 5.482 ( -0.913 0.000 -0.956) 1.322 5.829 ( 2.292 0.000 5.716) 6.158 5.994 ( 2.194 0.000 -9.588) 9.836 6.476 ( 2.991 0.000 0.864) 3.113 6.608 ( 1.274 0.000 0.898) 1.559 6.881 ( -3.899 0.000 3.428) 5.192 7.644 ( 5.394 0.000 -5.335) 7.586 7.788 ( -5.350 0.000 4.276) 6.849 7.851 ( 4.080 0.000 -1.274) 4.274 8.081 ( -6.004 0.000 1.894) 6.295 8.710 ( 1.351 0.000 0.365) 1.399 8.767 ( -4.112 0.000 -1.015) 4.236 9.163 ( -1.924 0.000 -3.299) 3.819 9.644 ( -2.086 0.000 1.874) 2.804 10.338 ( 0.654 0.000 0.478) 0.810 10.654 ( 1.345 0.000 0.000) 1.345 10.873 ( -7.078 0.000 2.170) 7.403 10.961 ( 9.379 0.000 1.914) 9.572 11.256 ( -4.935 0.000 -1.490) 5.155 11.275 ( 1.095 0.000 -5.853) 5.955 11.726 ( 0.873 0.000 0.892) 1.248 12.020 ( 0.069 0.000 0.678) 0.682 12.166 ( -2.260 0.000 0.843) 2.412 12.895 ( -1.481 0.000 3.659) 3.947 13.352 ( 4.266 0.000 1.989) 4.707 13.485 ( -7.973 0.000 -0.218) 7.976 13.975 ( 2.169 0.000 -3.423) 4.052 14.082 ( 3.915 0.000 -1.303) 4.126 14.693 ( 0.616 0.000 -0.331) 0.699 14.828 ( 0.337 0.000 -1.572) 1.608 15.243 ( -0.882 0.000 3.155) 3.276 15.328 ( 1.804 0.000 -0.668) 1.924 15.363 ( -2.017 0.000 0.481) 2.074 16.409 ( -0.120 0.000 0.691) 0.701 ======================= Grid point 7 (5/125) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 0.000 14.726 0.000) 14.726 0.429 ( 0.000 21.571 0.000) 21.571 0.723 ( 0.000 34.748 0.000) 34.748 1.269 ( 0.000 2.415 0.000) 2.415 1.422 ( 0.000 -0.508 0.000) 0.508 1.448 ( 0.000 1.388 0.000) 1.388 1.682 ( 0.000 1.897 0.000) 1.897 1.718 ( 0.000 4.623 0.000) 4.623 1.846 ( 0.000 -5.619 0.000) 5.619 2.127 ( 0.000 -3.050 0.000) 3.050 2.174 ( 0.000 -5.121 0.000) 5.121 2.199 ( 0.000 -0.417 0.000) 0.417 2.397 ( 0.000 -11.240 0.000) 11.240 2.478 ( 0.000 -2.015 0.000) 2.015 2.611 ( 0.000 -3.124 0.000) 3.124 2.779 ( 0.000 2.307 0.000) 2.307 3.004 ( 0.000 -4.358 0.000) 4.358 3.111 ( 0.000 -2.376 0.000) 2.376 3.244 ( 0.000 2.183 0.000) 2.183 3.628 ( 0.000 2.586 0.000) 2.586 3.948 ( 0.000 -12.190 0.000) 12.190 4.110 ( 0.000 4.670 0.000) 4.670 4.433 ( 0.000 6.102 0.000) 6.102 4.609 ( 0.000 7.160 0.000) 7.160 5.059 ( 0.000 1.211 0.000) 1.211 5.268 ( 0.000 -6.492 0.000) 6.492 5.555 ( 0.000 1.007 0.000) 1.007 5.589 ( 0.000 6.629 0.000) 6.629 6.085 ( 0.000 -1.518 0.000) 1.518 6.100 ( 0.000 -7.365 0.000) 7.365 6.443 ( 0.000 -7.390 0.000) 7.390 6.752 ( 0.000 -16.673 0.000) 16.673 7.591 ( 0.000 14.019 0.000) 14.019 7.848 ( 0.000 7.198 0.000) 7.198 7.974 ( 0.000 0.644 0.000) 0.644 8.358 ( 0.000 -6.053 0.000) 6.053 9.141 ( 0.000 6.297 0.000) 6.297 9.187 ( 0.000 8.109 0.000) 8.109 9.852 ( 0.000 1.935 0.000) 1.935 10.021 ( 0.000 1.375 0.000) 1.375 10.073 ( 0.000 -2.943 0.000) 2.943 10.467 ( 0.000 16.383 0.000) 16.383 10.937 ( 0.000 -23.011 0.000) 23.011 11.259 ( 0.000 -7.925 0.000) 7.925 11.296 ( 0.000 -12.637 0.000) 12.637 11.582 ( 0.000 2.949 0.000) 2.949 11.603 ( 0.000 6.908 0.000) 6.908 11.843 ( 0.000 8.633 0.000) 8.633 12.724 ( 0.000 4.247 0.000) 4.247 12.797 ( 0.000 2.745 0.000) 2.745 13.465 ( 0.000 1.523 0.000) 1.523 13.517 ( 0.000 -3.265 0.000) 3.265 13.619 ( 0.000 -0.889 0.000) 0.889 13.961 ( 0.000 1.902 0.000) 1.902 14.386 ( 0.000 -13.605 0.000) 13.605 15.043 ( 0.000 -7.906 0.000) 7.906 15.051 ( 0.000 4.717 0.000) 4.717 15.285 ( 0.000 5.235 0.000) 5.235 15.446 ( 0.000 10.780 0.000) 10.780 16.375 ( 0.000 -1.675 0.000) 1.675 ======================= Grid point 8 (6/125) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 11.308 15.968 -6.286) 20.551 0.571 ( 20.421 8.649 -0.192) 22.178 0.965 ( 17.412 22.985 6.853) 29.639 1.293 ( 2.164 0.223 -2.213) 3.103 1.424 ( 3.167 2.060 -4.984) 6.254 1.502 ( 5.739 -0.362 1.335) 5.903 1.639 ( -1.360 0.187 -2.301) 2.680 1.764 ( 0.231 1.960 3.368) 3.903 1.910 ( 4.758 -6.808 0.952) 8.360 1.949 ( -4.848 -1.169 -6.944) 8.549 2.159 ( 1.370 -2.523 -1.769) 3.373 2.270 ( -9.206 2.952 -3.494) 10.280 2.378 ( 8.238 -2.525 2.850) 9.075 2.589 ( -0.640 -5.296 3.743) 6.517 2.690 ( 8.258 -12.467 4.789) 15.702 2.943 ( -4.201 -3.867 -1.084) 5.812 2.986 ( 3.020 -11.647 0.713) 12.053 3.071 ( 0.978 -4.063 1.466) 4.429 3.288 ( 1.822 -1.633 1.649) 2.951 3.625 ( -0.688 2.527 1.243) 2.899 3.917 ( -1.638 -9.619 -2.682) 10.120 4.145 ( 3.646 3.712 -1.435) 5.398 4.400 ( -3.101 4.819 -0.319) 5.740 4.599 ( -0.074 7.074 -1.846) 7.312 4.999 ( -5.340 0.126 1.131) 5.459 5.331 ( 5.157 -3.336 -1.663) 6.363 5.558 ( 1.291 3.104 -4.578) 5.679 5.608 ( 3.267 1.710 -0.009) 3.687 6.047 ( -1.004 -3.049 -3.687) 4.888 6.187 ( 6.275 -5.382 1.944) 8.492 6.429 ( 2.171 -3.869 -1.409) 4.655 6.763 ( -2.154 -15.879 6.825) 17.417 7.575 ( 0.422 11.678 -2.690) 11.991 7.867 ( 1.818 6.319 -1.899) 6.844 7.965 ( -3.445 0.260 4.955) 6.040 8.335 ( -3.233 -4.808 1.209) 5.919 8.898 ( -15.517 12.058 2.290) 19.784 9.210 ( -3.893 11.816 0.853) 12.470 9.610 ( -15.359 12.336 -23.081) 30.345 9.830 ( -4.599 5.429 0.876) 7.169 10.174 ( 7.029 -2.822 1.059) 7.648 10.501 ( 7.755 13.399 -3.180) 15.804 10.795 ( -5.049 -0.322 -9.199) 10.498 10.945 ( -7.401 -16.906 6.553) 19.584 11.241 ( 1.885 -9.258 -12.999) 16.070 11.620 ( 2.343 2.089 11.493) 11.914 11.801 ( -2.562 7.481 2.006) 8.158 12.118 ( 10.154 -3.081 1.170) 10.675 12.306 ( -18.134 11.679 -10.007) 23.777 12.903 ( -6.400 2.006 20.192) 21.277 13.407 ( -7.300 -1.151 0.195) 7.393 13.616 ( 12.657 -5.302 -5.005) 14.607 13.675 ( -0.448 0.081 2.352) 2.396 13.890 ( 3.530 -1.440 -2.863) 4.768 14.491 ( 3.396 -12.791 2.152) 13.408 14.925 ( 2.899 4.168 -14.848) 15.692 15.198 ( 0.943 -4.040 5.253) 6.693 15.335 ( -1.701 -0.590 11.336) 11.478 15.446 ( 0.549 11.250 -0.249) 11.266 16.383 ( -0.202 -1.509 1.811) 2.366 ======================= Grid point 9 (7/125) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 11.959 6.987 -1.655) 13.949 0.915 ( 14.728 9.726 2.477) 17.823 1.169 ( -0.648 -0.066 -5.404) 5.443 1.386 ( 7.152 2.831 -2.001) 7.948 1.516 ( 9.624 3.875 -2.273) 10.621 1.619 ( 0.019 -5.560 0.508) 5.583 1.635 ( 4.195 -1.201 -0.803) 4.437 1.747 ( 5.182 2.055 -1.413) 5.751 1.855 ( -5.479 0.437 -3.247) 6.384 1.940 ( 0.257 -0.110 -0.657) 0.714 2.168 ( 2.248 4.075 -2.053) 5.087 2.269 ( 8.260 -0.690 3.145) 8.865 2.509 ( 1.322 -2.310 0.542) 2.716 2.595 ( -1.846 0.245 6.605) 6.863 2.660 ( -5.999 -3.646 -4.059) 8.109 2.941 ( 2.578 -9.677 3.852) 10.730 3.026 ( 1.228 -10.598 1.647) 10.796 3.077 ( -2.505 -4.602 1.066) 5.347 3.262 ( -5.223 -1.797 -0.061) 5.524 3.619 ( -1.222 2.455 1.074) 2.945 3.879 ( 1.146 -6.538 -2.942) 7.260 4.185 ( 0.045 -0.283 -2.472) 2.489 4.340 ( -0.627 5.375 -0.887) 5.484 4.579 ( -0.752 5.154 -1.481) 5.415 4.910 ( -5.228 1.272 2.228) 5.823 5.390 ( 2.889 -1.246 -2.268) 3.878 5.517 ( -2.127 1.404 -2.400) 3.501 5.717 ( 6.843 0.891 0.964) 6.968 6.004 ( 1.928 -2.939 -8.878) 9.549 6.327 ( 6.039 -5.035 1.805) 8.067 6.523 ( 5.868 -2.364 2.551) 6.821 6.760 ( -4.444 -13.663 7.452) 16.185 7.580 ( 2.974 6.723 -3.788) 8.270 7.853 ( -3.659 1.340 0.544) 3.935 7.949 ( 0.723 6.031 1.400) 6.233 8.244 ( -7.336 -0.739 1.695) 7.566 8.716 ( -5.111 7.022 0.780) 8.720 9.073 ( -8.878 13.147 -2.287) 16.028 9.258 ( -7.928 0.152 -10.830) 13.422 9.749 ( -6.189 3.661 3.512) 8.002 10.301 ( 4.884 0.467 2.083) 5.330 10.644 ( 5.134 2.434 -2.306) 6.132 10.711 ( -3.264 -6.261 4.185) 8.208 10.905 ( 2.553 -3.101 0.147) 4.019 11.203 ( 4.813 -8.364 -12.269) 15.609 11.691 ( -5.605 19.621 1.051) 20.433 11.734 ( -4.532 2.032 4.418) 6.648 11.881 ( -8.882 -7.576 -1.578) 11.781 12.346 ( 5.774 10.032 0.917) 11.611 12.919 ( -4.241 2.555 10.425) 11.541 13.296 ( -3.689 -2.095 1.461) 4.487 13.597 ( -7.614 -2.829 1.746) 8.308 13.788 ( 9.858 -10.674 -7.239) 16.233 14.007 ( 7.112 1.140 -1.953) 7.463 14.549 ( 2.934 -9.875 -1.152) 10.366 14.878 ( 0.367 3.059 -5.410) 6.226 15.237 ( -1.209 -0.410 7.135) 7.248 15.350 ( -1.133 -0.446 0.688) 1.399 15.465 ( 0.905 10.965 0.464) 11.012 16.393 ( -0.308 -1.220 1.855) 2.241 ======================= Grid point 10 (8/125) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 3.916 3.488 2.229) 5.698 1.080 ( -0.697 -5.051 -5.942) 7.830 1.153 ( 6.470 13.183 2.610) 14.915 1.396 ( 0.717 1.023 -1.230) 1.753 1.575 ( -5.668 0.288 -3.997) 6.941 1.619 ( 0.902 -3.183 0.303) 3.322 1.661 ( 4.299 -5.509 0.416) 7.000 1.739 ( -1.957 -4.194 -3.291) 5.679 1.931 ( 1.990 3.465 0.665) 4.051 2.020 ( 10.695 4.219 0.746) 11.521 2.169 ( -0.698 6.107 -1.965) 6.454 2.429 ( -0.694 -4.377 0.537) 4.464 2.495 ( 0.933 -1.497 2.002) 2.668 2.555 ( -0.826 2.509 3.123) 4.090 2.681 ( 5.865 2.515 2.630) 6.902 2.943 ( -8.956 -5.227 -4.695) 11.383 3.009 ( 1.691 -9.598 2.065) 9.962 3.065 ( 0.304 -7.754 0.774) 7.799 3.173 ( -2.674 -1.117 0.907) 3.037 3.600 ( -0.954 2.882 0.438) 3.067 3.935 ( 6.102 -4.407 -0.671) 7.557 4.078 ( -7.460 -4.144 -1.488) 8.662 4.390 ( 4.278 7.377 -0.983) 8.585 4.541 ( -2.155 2.030 -0.403) 2.988 4.847 ( -2.489 2.816 1.222) 3.952 5.416 ( 1.237 -3.414 -0.821) 3.723 5.464 ( -1.414 3.205 -1.162) 3.691 5.837 ( 1.774 0.639 5.801) 6.100 5.979 ( 3.225 -1.486 -9.778) 10.402 6.418 ( 2.269 -5.793 0.564) 6.247 6.635 ( 3.026 0.793 1.945) 3.684 6.722 ( -3.517 -12.583 3.372) 13.493 7.618 ( 3.160 3.374 -3.062) 5.545 7.778 ( -3.923 0.392 2.239) 4.534 8.002 ( 3.779 6.901 -1.338) 7.981 8.121 ( -5.778 2.327 1.461) 6.398 8.674 ( -0.925 1.741 0.360) 2.005 8.911 ( -4.699 9.477 -1.443) 10.676 9.106 ( -2.910 -3.730 -2.670) 5.432 9.672 ( -3.122 0.492 1.287) 3.412 10.379 ( 1.656 4.324 1.277) 4.803 10.654 ( 0.863 -1.805 -2.850) 3.482 10.669 ( -4.222 -12.638 4.562) 14.084 11.047 ( 7.523 8.229 -0.317) 11.154 11.210 ( 2.904 -5.898 -5.812) 8.775 11.547 ( -4.685 21.462 0.121) 21.967 11.720 ( 0.253 -0.898 0.416) 1.021 11.789 ( -4.749 -11.033 2.236) 12.218 12.417 ( 1.602 14.321 0.148) 14.411 12.919 ( -1.470 2.266 3.298) 4.263 13.314 ( 4.048 -3.724 1.410) 5.678 13.450 ( -7.942 -3.082 -0.129) 8.520 13.874 ( 3.666 -9.427 -3.245) 10.623 14.081 ( 1.873 -1.162 -0.546) 2.271 14.584 ( 1.482 -7.992 -1.014) 8.192 14.852 ( -0.237 2.048 -1.131) 2.351 15.272 ( -0.691 1.967 5.686) 6.056 15.325 ( -0.083 -1.410 -3.119) 3.424 15.479 ( 0.326 11.398 0.085) 11.403 16.399 ( -0.143 -1.113 0.774) 1.363 ======================= Grid point 14 (9/125) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 15.282 0.000) 15.282 0.838 ( 0.000 19.972 0.000) 19.972 1.248 ( 0.000 11.773 0.000) 11.773 1.326 ( 0.000 2.761 0.000) 2.761 1.462 ( 0.000 8.797 0.000) 8.797 1.475 ( 0.000 1.253 0.000) 1.253 1.686 ( 0.000 -6.912 0.000) 6.912 1.729 ( 0.000 -0.161 0.000) 0.161 1.815 ( 0.000 2.123 0.000) 2.123 2.032 ( 0.000 -5.931 0.000) 5.931 2.070 ( 0.000 -3.041 0.000) 3.041 2.177 ( 0.000 -0.780 0.000) 0.780 2.197 ( 0.000 -7.495 0.000) 7.495 2.435 ( 0.000 -2.410 0.000) 2.410 2.538 ( 0.000 -3.147 0.000) 3.147 2.758 ( 0.000 -4.458 0.000) 4.458 2.944 ( 0.000 -0.950 0.000) 0.950 3.093 ( 0.000 1.180 0.000) 1.180 3.334 ( 0.000 6.206 0.000) 6.206 3.571 ( 0.000 -11.843 0.000) 11.843 3.784 ( 0.000 -0.486 0.000) 0.486 4.190 ( 0.000 3.106 0.000) 3.106 4.577 ( 0.000 7.605 0.000) 7.605 4.734 ( 0.000 5.050 0.000) 5.050 5.081 ( 0.000 0.478 0.000) 0.478 5.153 ( 0.000 -5.067 0.000) 5.067 5.591 ( 0.000 2.730 0.000) 2.730 5.693 ( 0.000 3.463 0.000) 3.463 5.917 ( 0.000 -10.152 0.000) 10.152 6.057 ( 0.000 -0.963 0.000) 0.963 6.275 ( 0.000 -8.884 0.000) 8.884 6.418 ( 0.000 -16.574 0.000) 16.574 7.849 ( 0.000 11.693 0.000) 11.693 7.944 ( 0.000 1.078 0.000) 1.078 8.052 ( 0.000 7.876 0.000) 7.876 8.234 ( 0.000 -6.000 0.000) 6.000 9.258 ( 0.000 4.913 0.000) 4.913 9.393 ( 0.000 11.976 0.000) 11.976 9.903 ( 0.000 2.891 0.000) 2.891 10.037 ( 0.000 1.168 0.000) 1.168 10.100 ( 0.000 4.339 0.000) 4.339 10.485 ( 0.000 -21.740 0.000) 21.740 10.796 ( 0.000 13.784 0.000) 13.784 11.041 ( 0.000 -10.417 0.000) 10.417 11.079 ( 0.000 -9.869 0.000) 9.869 11.648 ( 0.000 4.827 0.000) 4.827 11.660 ( 0.000 -0.693 0.000) 0.693 12.008 ( 0.000 7.402 0.000) 7.402 12.822 ( 0.000 5.067 0.000) 5.067 12.838 ( 0.000 0.863 0.000) 0.863 13.459 ( 0.000 -2.447 0.000) 2.447 13.499 ( 0.000 1.585 0.000) 1.585 13.583 ( 0.000 -2.104 0.000) 2.104 14.027 ( 0.000 4.758 0.000) 4.758 14.107 ( 0.000 -13.576 0.000) 13.576 14.869 ( 0.000 -9.650 0.000) 9.650 15.164 ( 0.000 6.208 0.000) 6.208 15.363 ( 0.000 2.864 0.000) 2.864 15.676 ( 0.000 11.645 0.000) 11.645 16.328 ( 0.000 -3.127 0.000) 3.127 ======================= Grid point 15 (10/125) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 15.536 10.084 -0.368) 18.526 0.852 ( 4.383 18.115 -5.762) 19.508 1.276 ( -1.618 2.193 -1.563) 3.141 1.345 ( 5.743 5.095 -2.167) 7.978 1.485 ( 2.959 2.358 -0.348) 3.800 1.524 ( 3.639 2.994 0.174) 4.715 1.675 ( -1.597 2.451 -5.412) 6.152 1.746 ( -3.046 -0.969 -1.702) 3.621 1.777 ( 6.464 -4.302 2.866) 8.277 1.984 ( -0.840 3.224 -1.373) 3.604 2.063 ( 1.642 -6.123 2.119) 6.684 2.250 ( -2.052 -3.653 3.427) 5.413 2.319 ( 9.703 -1.959 2.896) 10.314 2.476 ( 2.153 -4.721 3.475) 6.245 2.569 ( 3.802 -1.751 3.811) 5.661 2.775 ( 1.006 -8.464 -0.084) 8.524 2.937 ( -4.747 1.579 -3.205) 5.941 3.018 ( -1.235 -1.011 -2.293) 2.794 3.337 ( -1.789 5.055 2.824) 6.060 3.572 ( 0.909 -11.617 -1.250) 11.719 3.765 ( -1.319 -1.042 -0.937) 1.924 4.197 ( 0.540 1.387 -1.022) 1.805 4.532 ( -4.002 7.281 0.487) 8.323 4.727 ( 0.222 5.607 -3.166) 6.443 4.998 ( -5.463 -0.310 2.932) 6.208 5.255 ( 6.515 -4.935 -2.808) 8.642 5.609 ( 3.658 2.421 -4.526) 6.303 5.660 ( -2.569 3.034 2.308) 4.597 5.946 ( 0.925 -7.409 -0.992) 7.532 6.078 ( 4.507 -3.972 -1.708) 6.245 6.309 ( 3.923 -7.049 1.243) 8.163 6.475 ( 2.119 -13.402 6.137) 14.892 7.813 ( -2.563 11.606 -1.135) 11.940 7.930 ( -1.330 0.928 -0.503) 1.698 8.051 ( -0.841 6.288 1.017) 6.425 8.223 ( -1.611 -5.542 0.644) 5.807 9.091 ( -11.900 8.636 0.258) 14.705 9.402 ( -4.226 8.766 0.262) 9.735 9.787 ( -16.278 6.505 -5.117) 18.261 9.903 ( -7.672 1.221 1.185) 7.859 10.156 ( 6.031 0.781 0.552) 6.107 10.472 ( -1.010 -18.028 -1.668) 18.133 10.759 ( -8.065 -1.538 -5.510) 9.888 10.880 ( 8.604 7.919 -3.501) 12.206 11.107 ( -1.181 -2.000 -1.736) 2.900 11.617 ( 0.512 0.999 7.696) 7.777 11.879 ( 3.134 -1.585 -1.163) 3.699 12.101 ( 8.858 2.862 1.564) 9.439 12.519 ( -13.480 8.255 -5.228) 16.649 12.955 ( -0.730 2.323 8.271) 8.622 13.379 ( -3.844 -1.279 -3.001) 5.042 13.501 ( 3.097 -5.480 -7.330) 9.662 13.676 ( -4.010 0.108 5.369) 6.702 13.879 ( 1.708 -1.646 0.096) 2.374 14.274 ( 7.322 -6.968 1.030) 10.160 14.911 ( 5.753 -6.456 -8.693) 12.261 15.168 ( -0.892 3.313 4.649) 5.778 15.374 ( -1.473 2.501 5.450) 6.175 15.681 ( 0.911 11.681 -0.838) 11.746 16.336 ( 0.017 -3.153 1.795) 3.628 ======================= Grid point 16 (11/125) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 6.072 11.797 -5.847) 14.499 1.009 ( 7.307 2.204 -0.135) 7.633 1.236 ( 4.513 5.064 -4.719) 8.263 1.427 ( 0.853 -0.507 -1.281) 1.620 1.503 ( 1.588 -3.702 -4.693) 6.185 1.553 ( 2.657 -0.598 -4.596) 5.343 1.609 ( -0.599 -0.662 0.519) 1.033 1.829 ( 3.429 1.424 -3.256) 4.938 1.856 ( 4.363 3.043 1.433) 5.509 1.998 ( 2.660 4.497 1.431) 5.417 2.204 ( 8.353 -2.666 5.955) 10.599 2.260 ( 2.407 1.174 5.282) 5.922 2.450 ( 0.322 -2.543 -0.143) 2.567 2.555 ( 4.249 -4.292 5.858) 8.413 2.665 ( -1.756 4.017 -2.078) 4.852 2.758 ( 0.056 -8.235 -0.681) 8.263 2.808 ( -1.645 -5.659 1.804) 6.163 3.010 ( -0.944 -3.311 -0.735) 3.520 3.294 ( -4.380 4.527 1.447) 6.463 3.591 ( 1.856 -9.461 -1.136) 9.708 3.739 ( 0.564 -2.629 -1.996) 3.348 4.158 ( -4.726 -1.880 -0.841) 5.156 4.483 ( -0.061 6.863 -0.574) 6.887 4.689 ( -1.695 5.959 -2.448) 6.661 4.940 ( -3.779 1.614 3.607) 5.467 5.300 ( 0.636 -7.832 -2.026) 8.115 5.593 ( 0.344 5.447 -4.676) 7.187 5.737 ( 6.359 1.132 2.410) 6.894 5.931 ( 2.479 -4.288 -7.756) 9.203 6.183 ( 5.063 -8.054 1.555) 9.639 6.415 ( 2.170 -7.182 6.731) 10.080 6.572 ( 3.960 -6.426 3.555) 8.343 7.762 ( -1.121 10.241 -1.740) 10.448 7.885 ( -3.232 2.032 0.347) 3.833 8.042 ( -0.114 2.594 -0.011) 2.597 8.177 ( -3.693 -4.336 0.789) 5.750 8.893 ( -8.328 9.940 0.204) 12.969 9.250 ( -9.955 5.504 -0.385) 11.381 9.362 ( -16.722 8.519 -8.884) 20.764 9.763 ( -10.189 -2.381 2.647) 10.793 10.310 ( 8.322 -1.079 1.557) 8.535 10.448 ( -2.192 -13.301 3.142) 13.841 10.646 ( -2.982 -2.278 -1.113) 3.914 11.016 ( 7.487 -6.485 -9.793) 13.929 11.144 ( 8.493 17.451 1.180) 19.444 11.667 ( -3.096 -4.082 6.999) 8.673 11.799 ( -8.214 -1.595 -2.196) 8.650 12.085 ( -4.924 15.901 0.027) 16.646 12.516 ( 9.477 6.572 -0.281) 11.537 12.975 ( -2.588 2.371 6.051) 6.996 13.259 ( -4.374 -1.328 -2.656) 5.287 13.511 ( -2.886 -6.393 -1.865) 7.258 13.592 ( 0.834 -7.005 -1.573) 7.228 13.976 ( 2.754 -4.950 1.729) 5.923 14.402 ( 7.048 -3.311 -2.781) 8.269 14.908 ( 0.945 -1.389 -6.220) 6.443 15.211 ( 0.056 0.096 7.111) 7.112 15.381 ( -1.062 2.695 1.790) 3.405 15.696 ( 1.304 11.433 -0.878) 11.541 16.351 ( -0.111 -3.017 1.974) 3.607 ======================= Grid point 17 (12/125) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 3.011 4.864 -0.531) 5.745 1.017 ( -0.939 1.189 -3.189) 3.530 1.349 ( 2.500 1.473 -1.866) 3.450 1.404 ( 3.195 2.845 1.643) 4.582 1.486 ( -0.502 -4.379 -2.912) 5.283 1.575 ( -3.113 -0.468 -0.246) 3.157 1.630 ( 5.829 1.110 -1.781) 6.195 1.757 ( -3.166 4.319 -2.658) 5.978 1.971 ( 2.525 -0.452 0.413) 2.598 2.111 ( 6.145 4.474 2.414) 7.976 2.246 ( -1.320 0.245 -0.712) 1.520 2.412 ( -2.244 -0.489 -0.690) 2.398 2.496 ( 3.836 2.894 6.472) 8.061 2.562 ( 3.211 -1.567 0.599) 3.623 2.685 ( 3.667 -1.726 1.649) 4.376 2.778 ( -1.943 -10.442 -0.921) 10.661 2.828 ( 2.341 -5.959 2.448) 6.855 2.937 ( -5.521 -0.993 -2.964) 6.345 3.228 ( -2.195 4.696 0.547) 5.213 3.604 ( 0.038 -5.681 -0.020) 5.682 3.786 ( 5.356 -5.683 -1.824) 8.020 4.023 ( -7.356 -2.246 0.294) 7.697 4.520 ( 3.605 3.009 -1.096) 4.822 4.630 ( -3.090 8.373 -0.191) 8.927 4.907 ( -1.637 2.974 1.388) 3.668 5.282 ( -0.724 -9.331 -0.449) 9.370 5.576 ( 0.487 6.592 -1.806) 6.853 5.845 ( 0.381 -0.100 5.229) 5.244 5.941 ( 5.633 -2.090 -9.509) 11.248 6.258 ( 1.137 -9.833 1.718) 10.047 6.468 ( -0.613 -8.100 3.830) 8.981 6.661 ( 2.559 -1.685 0.991) 3.221 7.755 ( 1.695 8.562 -1.804) 8.912 7.823 ( -3.534 3.932 1.356) 5.458 8.046 ( 0.350 -1.928 -0.404) 2.000 8.122 ( -1.782 -1.996 0.330) 2.696 8.792 ( -2.556 9.110 0.028) 9.462 9.086 ( -4.225 3.157 -3.555) 6.361 9.094 ( -7.161 8.153 0.121) 10.852 9.616 ( -5.033 -5.698 0.518) 7.620 10.426 ( -0.302 -11.428 0.033) 11.432 10.444 ( 2.097 -2.044 2.759) 4.024 10.604 ( -0.934 -0.523 -0.207) 1.090 11.067 ( 4.221 -8.018 -4.498) 10.116 11.312 ( 5.099 17.544 0.155) 18.270 11.607 ( -3.397 -3.557 1.771) 5.227 11.685 ( -3.092 -1.925 1.277) 3.860 12.027 ( -1.995 21.801 -0.264) 21.894 12.656 ( 4.145 9.586 0.057) 10.444 12.967 ( -1.442 1.989 2.355) 3.403 13.222 ( 1.727 -5.040 -1.368) 5.500 13.394 ( -6.183 -1.851 1.210) 6.567 13.641 ( 3.302 -13.387 -2.759) 14.062 14.000 ( -0.415 -7.167 0.999) 7.248 14.480 ( 2.861 -1.649 -1.780) 3.751 14.878 ( -0.283 -0.338 -1.720) 1.775 15.265 ( 0.248 -0.305 4.449) 4.466 15.365 ( -0.418 3.737 -1.326) 3.987 15.710 ( 0.578 11.214 -0.369) 11.235 16.361 ( -0.078 -2.860 0.815) 2.975 ======================= Grid point 21 (13/125) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 12.635 0.000) 12.635 1.199 ( 0.000 16.121 0.000) 16.121 1.260 ( 0.000 -4.101 0.000) 4.101 1.351 ( 0.000 -0.114 0.000) 0.114 1.479 ( 0.000 -1.027 0.000) 1.027 1.523 ( 0.000 -6.927 0.000) 6.927 1.558 ( 0.000 -3.553 0.000) 3.553 1.761 ( 0.000 -2.230 0.000) 2.230 1.793 ( 0.000 2.345 0.000) 2.345 1.992 ( 0.000 -4.498 0.000) 4.498 2.000 ( 0.000 -0.662 0.000) 0.662 2.198 ( 0.000 7.890 0.000) 7.890 2.199 ( 0.000 2.656 0.000) 2.656 2.345 ( 0.000 -6.761 0.000) 6.761 2.574 ( 0.000 6.513 0.000) 6.513 2.645 ( 0.000 -6.236 0.000) 6.236 2.938 ( 0.000 -0.283 0.000) 0.283 3.133 ( 0.000 -2.066 0.000) 2.066 3.339 ( 0.000 -4.243 0.000) 4.243 3.458 ( 0.000 5.746 0.000) 5.746 3.824 ( 0.000 3.064 0.000) 3.064 4.214 ( 0.000 -1.372 0.000) 1.372 4.706 ( 0.000 5.289 0.000) 5.289 4.801 ( 0.000 1.862 0.000) 1.862 5.060 ( 0.000 -2.584 0.000) 2.584 5.071 ( 0.000 -3.399 0.000) 3.399 5.636 ( 0.000 -0.084 0.000) 0.084 5.720 ( 0.000 -0.465 0.000) 0.465 5.779 ( 0.000 -1.005 0.000) 1.005 6.049 ( 0.000 -0.226 0.000) 0.226 6.118 ( 0.000 -6.652 0.000) 6.652 6.123 ( 0.000 -12.986 0.000) 12.986 7.951 ( 0.000 0.272 0.000) 0.272 8.024 ( 0.000 4.420 0.000) 4.420 8.148 ( 0.000 -1.017 0.000) 1.017 8.193 ( 0.000 5.495 0.000) 5.495 9.333 ( 0.000 3.300 0.000) 3.300 9.608 ( 0.000 7.761 0.000) 7.761 9.909 ( 0.000 -4.049 0.000) 4.049 10.073 ( 0.000 1.657 0.000) 1.657 10.185 ( 0.000 -5.147 0.000) 5.147 10.193 ( 0.000 4.134 0.000) 4.134 10.745 ( 0.000 -8.710 0.000) 8.710 10.888 ( 0.000 -9.315 0.000) 9.315 11.134 ( 0.000 10.069 0.000) 10.069 11.589 ( 0.000 -6.137 0.000) 6.137 11.808 ( 0.000 11.641 0.000) 11.641 12.124 ( 0.000 4.252 0.000) 4.252 12.828 ( 0.000 -1.492 0.000) 1.492 12.892 ( 0.000 1.306 0.000) 1.306 13.417 ( 0.000 -1.815 0.000) 1.815 13.509 ( 0.000 -0.988 0.000) 0.988 13.574 ( 0.000 1.802 0.000) 1.802 13.884 ( 0.000 -8.913 0.000) 8.913 14.143 ( 0.000 6.903 0.000) 6.903 14.672 ( 0.000 -10.250 0.000) 10.250 15.278 ( 0.000 5.158 0.000) 5.158 15.400 ( 0.000 0.920 0.000) 0.920 15.883 ( 0.000 9.274 0.000) 9.274 16.255 ( 0.000 -4.282 0.000) 4.282 ======================= Grid point 22 (14/125) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 8.210 8.985 -0.106) 12.171 1.164 ( 0.944 10.619 -8.933) 13.909 1.276 ( 0.737 1.422 -0.306) 1.631 1.382 ( 3.603 0.651 0.386) 3.681 1.459 ( -2.705 -5.699 -7.059) 9.467 1.503 ( 1.061 -0.149 2.929) 3.119 1.615 ( 5.508 -7.940 4.067) 10.485 1.730 ( -1.762 3.289 -4.953) 6.201 1.847 ( 3.967 2.510 2.460) 5.300 1.998 ( 1.298 -2.107 -0.496) 2.524 2.005 ( 1.371 -1.627 0.662) 2.228 2.193 ( 1.802 -0.507 3.952) 4.373 2.345 ( 3.251 -2.081 3.626) 5.295 2.370 ( 4.673 0.685 2.276) 5.242 2.608 ( 2.111 0.567 0.148) 2.191 2.641 ( 1.359 -1.023 0.052) 1.702 2.952 ( 1.361 -1.071 -0.798) 1.907 3.101 ( -4.220 8.087 -1.627) 9.265 3.300 ( -0.368 -11.482 -2.052) 11.670 3.450 ( -2.206 5.242 2.000) 6.029 3.789 ( -2.733 2.278 -1.003) 3.696 4.192 ( -2.340 -2.403 -0.396) 3.377 4.652 ( -4.205 4.837 -0.574) 6.435 4.814 ( 1.770 3.095 -3.388) 4.919 4.988 ( -4.279 -0.675 3.946) 5.860 5.120 ( 0.956 -8.504 -1.094) 8.627 5.650 ( 1.476 1.508 1.882) 2.827 5.729 ( 1.349 3.875 -2.759) 4.944 5.808 ( 3.765 -5.134 -1.670) 6.582 6.023 ( 1.668 -2.727 -5.595) 6.444 6.190 ( 5.601 -4.616 3.776) 8.182 6.246 ( 6.855 -9.467 6.410) 13.330 7.940 ( -1.201 0.379 0.178) 1.271 8.000 ( -2.200 5.844 -0.413) 6.257 8.098 ( -4.478 -1.003 0.978) 4.692 8.190 ( -0.837 2.782 -1.010) 3.076 9.241 ( -7.854 6.862 0.168) 10.431 9.563 ( -6.917 7.415 -0.917) 10.182 9.818 ( -6.717 -7.895 1.830) 10.526 9.883 ( -18.631 -0.111 -2.834) 18.845 10.190 ( 0.711 2.089 -1.585) 2.717 10.230 ( 1.827 -3.557 4.540) 6.050 10.667 ( -5.125 -4.270 1.064) 6.755 10.863 ( 1.093 -6.901 -4.198) 8.151 11.267 ( 11.971 11.501 -0.009) 16.601 11.689 ( 2.970 2.899 -0.394) 4.169 11.819 ( 0.335 0.354 2.752) 2.795 12.171 ( 7.377 2.588 -1.486) 7.958 12.619 ( -11.525 3.004 -1.524) 12.008 12.966 ( 1.009 -1.917 2.551) 3.347 13.367 ( -2.618 -0.169 -3.906) 4.705 13.422 ( -0.116 -2.100 -8.528) 8.783 13.680 ( -5.763 0.194 6.987) 9.059 13.794 ( -1.189 -5.782 3.463) 6.844 14.257 ( 9.757 4.063 -2.195) 10.795 14.743 ( 7.337 -9.552 -4.279) 12.782 15.263 ( -1.845 5.199 2.178) 5.931 15.409 ( -0.883 0.831 3.905) 4.089 15.887 ( 0.840 9.226 -0.987) 9.317 16.262 ( 0.202 -4.385 1.145) 4.536 ======================= Grid point 23 (15/125) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 3.160 4.541 -3.306) 6.445 1.118 ( -0.118 7.233 -2.915) 7.799 1.306 ( 4.273 0.759 -5.463) 6.976 1.380 ( 1.426 -0.314 -0.751) 1.642 1.487 ( 5.651 1.721 -2.378) 6.368 1.569 ( 2.300 -0.132 2.276) 3.239 1.652 ( -1.042 6.167 -4.807) 7.888 1.768 ( 7.068 -7.139 2.249) 10.295 1.897 ( 0.109 3.636 -2.468) 4.396 2.045 ( 4.379 -1.539 3.676) 5.921 2.115 ( 6.211 -6.696 2.392) 9.441 2.253 ( 1.028 -3.097 4.946) 5.926 2.392 ( -0.119 -4.229 3.857) 5.725 2.499 ( 5.947 1.333 0.330) 6.103 2.580 ( -0.679 -7.013 -5.063) 8.676 2.761 ( 5.320 5.466 4.858) 9.043 2.924 ( -6.377 2.996 -2.344) 7.425 2.990 ( -1.189 9.947 0.070) 10.018 3.337 ( 4.118 -12.629 -0.738) 13.304 3.399 ( -4.173 4.379 0.716) 6.091 3.738 ( -0.982 1.411 -0.550) 1.805 4.113 ( -5.771 -2.958 -0.243) 6.489 4.574 ( -2.517 2.945 -1.600) 4.191 4.809 ( 0.411 5.585 -2.197) 6.015 4.965 ( -2.156 0.543 3.968) 4.548 5.094 ( -2.595 -12.290 0.230) 12.564 5.693 ( 3.634 3.789 -6.747) 8.549 5.772 ( 2.775 2.724 5.374) 6.633 5.849 ( 4.870 -3.393 -7.863) 9.851 6.054 ( 2.386 -5.127 1.222) 5.786 6.312 ( 3.005 -2.953 5.674) 7.067 6.449 ( 9.061 -6.160 2.876) 11.328 7.914 ( -1.580 0.610 0.310) 1.722 7.946 ( -2.580 7.946 -1.004) 8.414 8.021 ( -4.108 -3.913 1.343) 5.830 8.138 ( -3.340 0.297 -1.420) 3.641 9.093 ( -6.924 10.250 -0.634) 12.386 9.363 ( -12.001 5.625 0.529) 13.264 9.477 ( -17.119 2.624 -3.859) 17.744 9.675 ( -9.823 -6.186 -0.718) 11.631 10.194 ( 1.639 -6.920 -2.136) 7.425 10.301 ( 0.334 -3.725 5.292) 6.480 10.622 ( -1.415 -0.161 2.413) 2.802 10.865 ( 2.610 -7.600 -3.031) 8.589 11.522 ( 11.608 13.671 0.153) 17.935 11.665 ( -1.985 8.440 1.449) 8.791 11.761 ( -7.187 -2.254 -0.797) 7.574 12.324 ( 4.203 8.405 2.081) 9.625 12.569 ( 9.121 -0.945 -0.525) 9.185 12.975 ( -1.834 -3.413 2.766) 4.760 13.252 ( -3.432 0.865 -7.967) 8.718 13.388 ( 2.324 -4.446 -7.203) 8.778 13.537 ( -10.570 0.543 6.563) 12.454 13.838 ( -0.996 -7.883 4.222) 8.997 14.416 ( 8.732 3.708 -4.109) 10.339 14.816 ( 3.731 -7.055 -4.983) 9.408 15.267 ( -0.803 4.649 5.512) 7.256 15.423 ( -0.449 1.167 2.396) 2.703 15.897 ( 1.057 8.969 -1.204) 9.111 16.276 ( 0.198 -4.549 1.328) 4.743 ======================= Grid point 24 (16/125) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.265 5.326 -3.095) 6.166 1.124 ( 0.394 6.360 1.459) 6.537 1.313 ( 0.711 -1.062 -0.462) 1.359 1.433 ( 0.669 1.495 -3.073) 3.482 1.532 ( 4.116 4.477 -3.558) 7.046 1.587 ( -2.219 2.711 2.696) 4.421 1.682 ( 5.064 3.122 -0.998) 6.032 1.834 ( -2.289 -0.257 -0.576) 2.374 1.912 ( 4.007 -0.905 -0.119) 4.110 2.160 ( -0.583 -5.569 2.151) 5.998 2.181 ( 5.066 -1.972 0.174) 5.439 2.330 ( -0.117 -8.327 0.473) 8.341 2.415 ( 0.963 -4.476 6.563) 8.002 2.523 ( 0.027 -6.412 -5.176) 8.241 2.618 ( 6.388 -0.329 -0.515) 6.417 2.751 ( -7.857 2.270 0.798) 8.217 2.867 ( 0.814 6.596 1.322) 6.776 3.016 ( 2.151 8.960 0.231) 9.218 3.322 ( -3.044 4.312 -0.239) 5.284 3.398 ( 1.851 -10.625 -0.154) 10.787 3.765 ( 3.437 1.316 -0.127) 3.683 3.985 ( -6.338 -1.583 0.118) 6.534 4.539 ( -0.251 0.234 -1.007) 1.064 4.803 ( 0.070 7.640 -0.370) 7.649 4.956 ( -0.862 1.843 1.181) 2.353 5.052 ( -1.677 -13.602 0.642) 13.720 5.698 ( 1.141 5.300 -2.585) 6.007 5.829 ( -0.132 -1.393 1.958) 2.407 5.912 ( 6.211 -0.398 -5.730) 8.460 6.090 ( -0.560 -6.527 2.911) 7.169 6.382 ( 0.972 -1.431 2.054) 2.686 6.589 ( 3.416 -5.196 1.194) 6.332 7.893 ( -0.869 2.007 0.542) 2.253 7.901 ( -1.054 5.020 -0.860) 5.201 7.983 ( -0.678 -2.547 0.865) 2.773 8.064 ( -2.588 -2.754 -1.051) 3.922 8.987 ( -3.107 9.927 -0.796) 10.433 9.187 ( -4.002 6.355 -1.687) 7.698 9.251 ( -6.554 7.046 1.466) 9.734 9.493 ( -5.899 -5.546 -1.544) 8.243 10.211 ( 0.977 -9.741 -0.558) 9.806 10.312 ( -1.268 -9.077 1.557) 9.296 10.634 ( 0.283 1.884 1.470) 2.406 10.909 ( 2.841 -7.852 -1.340) 8.457 11.542 ( -3.875 2.745 1.414) 4.955 11.638 ( -3.378 -1.472 0.385) 3.705 11.776 ( 6.446 21.087 -0.950) 22.070 12.387 ( 1.383 14.308 1.653) 14.470 12.769 ( 7.756 1.009 -0.094) 7.822 12.954 ( -2.000 -4.580 1.983) 5.377 13.154 ( -0.846 -0.779 -4.774) 4.911 13.372 ( 0.403 -6.689 -3.309) 7.473 13.424 ( -4.657 -0.826 2.831) 5.513 13.831 ( -1.486 -9.146 1.929) 9.465 14.502 ( 2.964 3.106 -2.027) 4.747 14.822 ( 0.568 -5.093 -1.956) 5.485 15.304 ( 0.200 3.842 3.292) 5.064 15.426 ( -0.089 2.085 0.035) 2.087 15.905 ( 0.473 8.671 -0.523) 8.700 16.287 ( 0.071 -4.627 0.558) 4.661 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 6.892 0.000) 6.892 1.159 ( 0.000 -5.498 0.000) 5.498 1.327 ( 0.000 2.305 0.000) 2.305 1.410 ( 0.000 -5.147 0.000) 5.147 1.435 ( 0.000 0.566 0.000) 0.566 1.464 ( 0.000 -3.814 0.000) 3.814 1.530 ( 0.000 11.355 0.000) 11.355 1.729 ( 0.000 -7.623 0.000) 7.623 1.783 ( 0.000 3.867 0.000) 3.867 1.889 ( 0.000 -6.123 0.000) 6.123 2.051 ( 0.000 5.804 0.000) 5.804 2.191 ( 0.000 -7.668 0.000) 7.668 2.290 ( 0.000 5.465 0.000) 5.465 2.353 ( 0.000 3.113 0.000) 3.113 2.564 ( 0.000 1.332 0.000) 1.332 2.657 ( 0.000 -1.388 0.000) 1.388 2.927 ( 0.000 -0.612 0.000) 0.612 2.966 ( 0.000 -7.121 0.000) 7.121 3.463 ( 0.000 8.383 0.000) 8.383 3.532 ( 0.000 1.052 0.000) 1.052 3.919 ( 0.000 7.771 0.000) 7.771 4.110 ( 0.000 -9.220 0.000) 9.220 4.782 ( 0.000 2.558 0.000) 2.558 4.812 ( 0.000 -0.584 0.000) 0.584 5.011 ( 0.000 -1.349 0.000) 1.349 5.019 ( 0.000 -1.797 0.000) 1.797 5.626 ( 0.000 1.303 0.000) 1.303 5.682 ( 0.000 -3.232 0.000) 3.232 5.841 ( 0.000 4.320 0.000) 4.320 5.932 ( 0.000 -6.292 0.000) 6.292 6.032 ( 0.000 -1.869 0.000) 1.869 6.035 ( 0.000 -1.184 0.000) 1.184 7.965 ( 0.000 1.302 0.000) 1.302 8.006 ( 0.000 -2.791 0.000) 2.791 8.212 ( 0.000 4.053 0.000) 4.053 8.251 ( 0.000 0.348 0.000) 0.348 9.415 ( 0.000 5.754 0.000) 5.754 9.566 ( 0.000 -8.886 0.000) 8.886 9.935 ( 0.000 7.061 0.000) 7.061 10.059 ( 0.000 -3.981 0.000) 3.981 10.206 ( 0.000 2.978 0.000) 2.978 10.235 ( 0.000 0.234 0.000) 0.234 10.657 ( 0.000 0.151 0.000) 0.151 10.729 ( 0.000 -6.464 0.000) 6.464 11.295 ( 0.000 7.278 0.000) 7.278 11.444 ( 0.000 -7.946 0.000) 7.946 12.046 ( 0.000 10.388 0.000) 10.388 12.160 ( 0.000 -1.252 0.000) 1.252 12.811 ( 0.000 0.698 0.000) 0.698 12.863 ( 0.000 -3.514 0.000) 3.514 13.410 ( 0.000 1.499 0.000) 1.499 13.463 ( 0.000 -3.195 0.000) 3.195 13.645 ( 0.000 4.830 0.000) 4.830 13.748 ( 0.000 -5.656 0.000) 5.656 14.294 ( 0.000 8.518 0.000) 8.518 14.474 ( 0.000 -9.765 0.000) 9.765 15.359 ( 0.000 3.108 0.000) 3.108 15.399 ( 0.000 -1.000 0.000) 1.000 16.041 ( 0.000 6.950 0.000) 6.950 16.160 ( 0.000 -5.382 0.000) 5.382 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 4.404 5.734 -0.814) 7.276 1.178 ( 4.087 -3.117 -5.469) 7.505 1.355 ( 0.806 -0.123 0.873) 1.195 1.376 ( -2.433 -2.586 -4.108) 5.430 1.408 ( 1.734 2.748 -1.672) 3.655 1.468 ( 0.784 -4.181 2.693) 5.035 1.595 ( 3.610 8.870 6.427) 11.533 1.768 ( 2.638 -5.126 0.512) 5.788 1.840 ( 4.657 1.682 0.611) 4.989 1.914 ( 3.063 -4.772 -2.007) 6.016 2.028 ( -0.945 5.003 -0.846) 5.162 2.163 ( -1.951 -6.658 0.164) 6.940 2.296 ( 2.222 4.552 -1.348) 5.242 2.414 ( 3.171 -4.473 -1.380) 5.655 2.588 ( 2.359 6.112 0.690) 6.588 2.705 ( 3.384 -1.317 2.458) 4.385 2.933 ( 0.975 0.663 -0.397) 1.245 3.019 ( 4.156 -8.006 2.270) 9.302 3.387 ( -6.142 10.273 -1.730) 12.094 3.503 ( -3.582 -1.159 0.596) 3.812 3.885 ( -2.655 8.543 -0.826) 8.984 4.081 ( -2.621 -9.040 -0.287) 9.417 4.735 ( -3.635 4.176 -1.838) 5.833 4.820 ( 1.333 -3.303 -3.191) 4.783 4.972 ( -4.126 -0.595 3.517) 5.454 4.989 ( -2.864 -2.926 1.782) 4.465 5.676 ( 2.334 1.458 3.109) 4.152 5.715 ( 1.636 -2.595 3.677) 4.789 5.840 ( 4.888 5.092 -9.368) 11.730 5.944 ( 3.994 -5.202 -8.794) 10.970 6.126 ( 8.413 -1.702 5.764) 10.339 6.135 ( 4.966 -2.118 7.029) 8.863 7.952 ( -1.684 1.018 0.710) 2.091 7.988 ( -2.254 -2.720 1.039) 3.682 8.169 ( -3.740 4.556 -0.950) 5.971 8.220 ( -2.752 -0.457 -1.268) 3.064 9.377 ( -4.007 7.646 0.841) 8.673 9.556 ( -1.450 -10.055 -0.023) 10.159 9.745 ( -15.640 5.476 -0.591) 16.581 9.848 ( -17.343 -3.906 -1.956) 17.885 10.228 ( -1.978 1.808 1.807) 3.232 10.239 ( -0.341 0.895 1.967) 2.188 10.640 ( -1.780 1.748 2.106) 3.265 10.724 ( -0.852 -6.340 0.832) 6.450 11.449 ( 14.211 7.876 -1.371) 16.306 11.601 ( 12.480 -7.570 -1.753) 14.702 11.992 ( -4.800 11.271 0.934) 12.286 12.157 ( 2.080 -4.709 -1.805) 5.455 12.703 ( -7.212 6.638 0.067) 9.802 12.862 ( -1.661 -8.112 0.741) 8.314 13.378 ( -0.618 1.503 -6.342) 6.547 13.405 ( -0.369 -0.762 -8.145) 8.189 13.682 ( -4.848 0.158 7.332) 8.791 13.704 ( -3.528 -2.744 6.097) 7.560 14.382 ( 9.180 7.999 -3.374) 12.635 14.555 ( 8.306 -9.424 -3.596) 13.066 15.352 ( -1.459 3.677 2.535) 4.698 15.403 ( -0.910 -1.441 3.192) 3.618 16.044 ( 0.615 6.968 -0.607) 7.021 16.165 ( 0.390 -5.478 0.216) 5.496 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 3.446 4.634 -2.943) 6.481 1.198 ( 1.415 1.121 -3.673) 4.092 1.317 ( -0.537 2.732 1.572) 3.198 1.390 ( 3.380 -1.773 1.181) 3.995 1.505 ( 6.275 -0.352 -0.425) 6.299 1.522 ( 3.504 -3.998 1.345) 5.483 1.732 ( 5.211 5.248 3.487) 8.177 1.786 ( 0.235 3.946 -4.489) 5.981 1.955 ( 5.224 -1.791 0.582) 5.553 1.956 ( 3.847 -4.667 0.228) 6.052 2.018 ( 0.135 2.420 -0.216) 2.433 2.148 ( 0.194 -7.339 0.479) 7.357 2.346 ( 2.997 1.184 0.418) 3.250 2.427 ( 1.419 -6.045 -3.641) 7.198 2.631 ( 1.332 7.751 -0.051) 7.864 2.777 ( 1.104 -5.527 0.577) 5.666 2.963 ( 1.808 5.851 0.876) 6.186 3.103 ( 1.096 -7.981 -0.385) 8.066 3.283 ( -1.853 10.968 2.580) 11.419 3.425 ( -4.120 -3.040 0.920) 5.202 3.836 ( -1.415 9.030 -0.404) 9.150 4.018 ( -3.642 -7.467 -0.373) 8.316 4.640 ( -4.265 4.958 -1.482) 6.706 4.794 ( -1.422 -9.726 -2.710) 10.196 4.938 ( -1.910 1.802 3.155) 4.105 4.974 ( -1.040 -1.205 2.596) 3.045 5.738 ( 4.113 1.538 -3.258) 5.468 5.771 ( 2.531 -2.008 -0.471) 3.265 5.877 ( 4.113 4.661 -3.188) 6.986 5.966 ( 2.115 -4.298 -0.626) 4.831 6.295 ( 6.101 0.972 4.173) 7.455 6.345 ( 8.943 -4.128 3.426) 10.428 7.917 ( -2.444 0.251 0.931) 2.628 7.943 ( -3.317 -2.723 1.482) 4.540 8.077 ( -4.240 4.779 -1.496) 6.562 8.136 ( -4.413 -1.265 -1.947) 4.986 9.288 ( -6.546 9.486 0.943) 11.564 9.436 ( -14.746 -2.321 2.152) 15.082 9.475 ( -10.470 0.997 -0.282) 10.521 9.548 ( -5.424 -5.379 -6.081) 9.764 10.151 ( -5.146 1.949 -0.173) 5.505 10.222 ( -4.203 -4.301 2.239) 6.417 10.645 ( 0.296 2.692 2.904) 3.971 10.730 ( 1.066 -5.844 1.159) 6.053 11.624 ( 0.359 3.241 0.856) 3.372 11.693 ( -2.456 -3.621 -0.866) 4.460 12.015 ( 10.682 18.567 -1.345) 21.463 12.311 ( 14.666 -10.454 -0.316) 18.014 12.627 ( -1.090 8.849 2.182) 9.180 12.830 ( -2.619 -10.321 2.407) 10.917 13.292 ( -1.294 2.678 -9.833) 10.272 13.336 ( -0.387 -1.811 -8.760) 8.954 13.590 ( -8.379 4.281 7.400) 11.970 13.695 ( -4.289 -6.426 6.072) 9.826 14.520 ( 7.565 6.573 -4.383) 10.938 14.664 ( 5.786 -7.870 -4.417) 10.720 15.359 ( -0.625 4.192 4.317) 6.050 15.418 ( -0.276 -1.684 3.310) 3.724 16.052 ( 0.706 6.989 -0.830) 7.073 16.175 ( 0.446 -5.719 0.184) 5.739 ======================= Grid point 31 (20/125) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.098 4.804 -1.416) 5.009 1.200 ( 0.377 0.820 -0.705) 1.145 1.374 ( 2.275 6.888 4.235) 8.400 1.456 ( 1.959 0.263 -1.040) 2.233 1.587 ( 3.068 -0.780 -1.144) 3.366 1.609 ( 2.396 -3.069 1.478) 4.165 1.738 ( -0.209 2.966 -1.660) 3.406 1.782 ( -0.537 0.826 -2.952) 3.112 2.005 ( 2.992 2.905 -1.762) 4.528 2.020 ( -0.329 0.841 1.410) 1.675 2.089 ( 4.273 -7.612 3.089) 9.260 2.162 ( 0.330 -8.148 -0.070) 8.155 2.385 ( 0.447 1.080 0.117) 1.175 2.434 ( 1.361 -3.535 -1.354) 4.023 2.655 ( 2.387 4.067 -0.770) 4.778 2.739 ( -3.846 -3.251 -0.660) 5.079 2.982 ( -0.307 5.156 0.459) 5.186 3.080 ( -0.782 -4.341 -0.352) 4.425 3.342 ( 2.417 4.204 3.186) 5.803 3.385 ( -1.127 0.881 -0.104) 1.434 3.836 ( 1.281 6.124 -0.005) 6.256 3.944 ( -3.297 -3.526 -0.257) 4.834 4.572 ( -1.685 4.504 -0.562) 4.841 4.750 ( -1.186 -12.796 -0.733) 12.871 4.939 ( -0.233 3.417 1.161) 3.617 4.976 ( -0.452 -0.287 1.127) 1.248 5.771 ( 1.915 2.176 -2.784) 4.019 5.800 ( 1.372 -1.343 -1.401) 2.376 5.934 ( 2.716 2.443 -0.752) 3.729 5.995 ( 0.075 -3.694 1.786) 4.104 6.397 ( 2.047 2.742 1.415) 3.703 6.480 ( 3.030 -5.401 1.244) 6.317 7.886 ( -1.239 -0.707 0.598) 1.547 7.902 ( -1.435 -2.196 0.541) 2.678 8.014 ( -0.930 2.862 -0.390) 3.034 8.044 ( -3.234 -0.339 -1.397) 3.539 9.153 ( -5.174 6.655 -0.291) 8.434 9.246 ( -5.716 -2.182 0.737) 6.163 9.371 ( -0.400 5.903 0.636) 5.950 9.441 ( -3.452 -0.913 -3.071) 4.710 10.081 ( -1.288 -2.219 -0.333) 2.588 10.141 ( -4.252 -7.254 1.016) 8.469 10.679 ( 0.838 3.202 1.252) 3.539 10.770 ( 1.537 -6.064 0.508) 6.276 11.580 ( -2.615 1.604 0.959) 3.214 11.609 ( -3.375 -1.377 -0.068) 3.646 12.223 ( 7.808 22.303 -1.356) 23.669 12.549 ( 6.530 -3.544 1.012) 7.498 12.702 ( 7.037 -2.164 0.652) 7.391 12.802 ( -3.511 -8.074 3.767) 9.576 13.188 ( -1.947 3.057 -5.829) 6.864 13.250 ( -1.782 -3.729 -5.247) 6.680 13.513 ( -3.776 6.612 3.392) 8.335 13.660 ( -2.455 -8.235 2.652) 8.993 14.586 ( 2.327 5.317 -1.980) 6.132 14.703 ( 1.497 -6.405 -1.915) 6.850 15.386 ( 0.173 3.848 2.233) 4.453 15.437 ( 0.145 -1.107 1.124) 1.584 16.056 ( 0.301 6.979 -0.393) 6.997 16.183 ( 0.188 -5.928 0.053) 5.931 ======================= Grid point 63 (21/125) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 1.323 0.000 16.451) 16.504 0.352 ( -4.138 0.000 17.731) 18.208 0.435 ( -5.946 0.000 22.057) 22.845 1.223 ( -0.755 0.000 -2.021) 2.157 1.496 ( -3.050 0.000 5.879) 6.623 1.598 ( -9.680 0.000 0.028) 9.680 1.669 ( 1.732 0.000 1.232) 2.125 1.706 ( -0.874 0.000 2.638) 2.779 1.936 ( 1.778 0.000 2.700) 3.233 2.034 ( -7.525 0.000 -8.072) 11.036 2.122 ( -1.381 0.000 -5.989) 6.146 2.266 ( 7.556 0.000 1.229) 7.655 2.344 ( -9.774 0.000 -6.515) 11.746 2.547 ( 17.089 0.000 -1.427) 17.149 2.774 ( 7.549 0.000 3.365) 8.265 2.813 ( 3.265 0.000 10.489) 10.986 2.963 ( 0.958 0.000 -5.729) 5.809 3.164 ( 0.694 0.000 -0.576) 0.902 3.254 ( 0.025 0.000 1.840) 1.840 3.644 ( -0.568 0.000 4.588) 4.623 3.969 ( 1.929 0.000 -5.130) 5.480 4.069 ( -3.577 0.000 0.151) 3.580 4.387 ( -2.804 0.000 2.877) 4.018 4.549 ( -1.465 0.000 3.495) 3.790 5.095 ( -2.373 0.000 4.535) 5.119 5.369 ( 0.871 0.000 -0.028) 0.871 5.483 ( -0.573 0.000 0.788) 0.975 6.071 ( -2.508 0.000 -3.212) 4.075 6.156 ( 3.592 0.000 -1.725) 3.985 6.359 ( -17.119 0.000 -6.390) 18.273 6.366 ( 2.476 0.000 -2.356) 3.418 6.873 ( -2.508 0.000 -11.170) 11.448 7.504 ( -5.791 0.000 7.947) 9.833 7.771 ( -0.658 0.000 0.504) 0.828 8.391 ( 0.529 0.000 2.371) 2.429 8.528 ( 10.538 0.000 -0.615) 10.556 8.641 ( -1.309 0.000 3.196) 3.454 9.049 ( 1.163 0.000 -1.583) 1.964 9.458 ( -63.912 0.000 3.550) 64.011 9.861 ( 5.614 0.000 2.321) 6.075 10.223 ( -2.625 0.000 4.848) 5.513 10.244 ( -1.346 0.000 2.924) 3.219 10.718 ( 0.398 0.000 -4.171) 4.190 11.219 ( -11.488 0.000 -6.226) 13.067 11.372 ( -1.524 0.000 -2.741) 3.136 11.604 ( 22.079 0.000 7.226) 23.232 11.722 ( 2.619 0.000 1.549) 3.043 12.097 ( 0.860 0.000 -6.980) 7.032 12.254 ( -3.125 0.000 15.856) 16.161 13.305 ( -19.423 0.000 -11.144) 22.393 13.458 ( 10.659 0.000 -7.907) 13.271 13.600 ( -4.001 0.000 0.408) 4.022 13.605 ( 18.552 0.000 1.214) 18.591 13.958 ( -7.277 0.000 1.514) 7.433 14.323 ( 2.510 0.000 -7.831) 8.224 14.737 ( -4.660 0.000 8.190) 9.424 14.997 ( 20.910 0.000 -15.699) 26.147 15.287 ( 6.035 0.000 -0.263) 6.041 15.771 ( -8.557 0.000 14.863) 17.150 16.394 ( 1.400 0.000 0.147) 1.408 ======================= Grid point 64 (22/125) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 10.637 0.000 13.249) 16.991 0.552 ( 8.860 0.000 14.059) 16.618 0.871 ( 22.197 0.000 9.823) 24.273 1.243 ( 4.179 0.000 -3.141) 5.228 1.396 ( -7.616 0.000 5.513) 9.402 1.569 ( 2.863 0.000 6.639) 7.231 1.706 ( 0.866 0.000 1.260) 1.529 1.794 ( 4.074 0.000 4.380) 5.982 1.822 ( -8.266 0.000 -8.297) 11.711 1.993 ( 2.600 0.000 -4.642) 5.321 2.057 ( -10.503 0.000 -8.393) 13.444 2.124 ( 6.512 0.000 1.137) 6.610 2.427 ( 7.208 0.000 -1.057) 7.285 2.768 ( -6.072 0.000 -5.812) 8.405 2.785 ( 1.125 0.000 7.926) 8.005 3.022 ( 4.742 0.000 2.655) 5.435 3.030 ( 14.021 0.000 -13.779) 19.658 3.155 ( -0.020 0.000 -0.081) 0.083 3.266 ( 0.324 0.000 -0.321) 0.456 3.648 ( -2.647 0.000 4.455) 5.182 3.915 ( -1.112 0.000 -4.387) 4.526 4.075 ( 3.427 0.000 -1.622) 3.792 4.329 ( -5.214 0.000 1.054) 5.319 4.554 ( -1.001 0.000 3.799) 3.929 5.035 ( -5.899 0.000 2.887) 6.568 5.377 ( -0.841 0.000 0.556) 1.008 5.499 ( 0.511 0.000 -0.525) 0.733 5.828 ( -20.608 0.000 9.702) 22.778 5.986 ( -3.674 0.000 -3.886) 5.348 6.255 ( 6.915 0.000 0.237) 6.919 6.447 ( 6.541 0.000 -0.035) 6.541 7.007 ( 13.364 0.000 -8.698) 15.946 7.443 ( -6.305 0.000 8.211) 10.352 7.762 ( -0.437 0.000 0.243) 0.500 8.283 ( -20.111 0.000 6.606) 21.168 8.372 ( -4.698 0.000 3.047) 5.600 8.659 ( 0.230 0.000 3.651) 3.659 8.957 ( -4.566 0.000 -1.957) 4.968 9.207 ( 1.897 0.000 2.415) 3.071 9.903 ( -5.655 0.000 8.703) 10.378 10.276 ( 1.849 0.000 2.412) 3.039 10.346 ( 11.877 0.000 1.474) 11.968 10.692 ( 0.789 0.000 -3.860) 3.940 11.077 ( -0.803 0.000 -7.054) 7.099 11.340 ( -0.198 0.000 -1.265) 1.280 11.677 ( -24.797 0.000 5.788) 25.464 11.749 ( -1.031 0.000 1.589) 1.894 12.005 ( 6.738 0.000 -3.356) 7.528 12.337 ( -2.316 0.000 15.474) 15.646 12.996 ( -4.251 0.000 -10.697) 11.511 13.476 ( -6.360 0.000 -0.475) 6.378 13.627 ( 8.652 0.000 -1.352) 8.757 13.774 ( 6.911 0.000 5.990) 9.146 13.826 ( -5.806 0.000 -3.042) 6.554 14.428 ( 13.388 0.000 -21.941) 25.703 14.716 ( -3.176 0.000 5.704) 6.529 15.185 ( 10.813 0.000 -12.004) 16.156 15.348 ( -0.111 0.000 2.072) 2.075 15.648 ( -12.790 0.000 15.301) 19.942 16.419 ( 0.565 0.000 0.994) 1.143 ======================= Grid point 65 (23/125) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 7.716 0.000 10.518) 13.045 0.866 ( 13.622 0.000 9.714) 16.730 1.143 ( -0.651 0.000 1.563) 1.693 1.283 ( 2.005 0.000 -3.415) 3.960 1.487 ( 12.086 0.000 4.185) 12.790 1.615 ( -4.512 0.000 -5.108) 6.816 1.711 ( 7.456 0.000 7.126) 10.313 1.735 ( 1.219 0.000 -0.248) 1.244 1.835 ( -5.992 0.000 -8.805) 10.651 1.858 ( 1.890 0.000 -4.984) 5.331 2.030 ( 3.809 0.000 2.959) 4.824 2.342 ( 12.332 0.000 3.982) 12.959 2.496 ( 2.245 0.000 -5.285) 5.742 2.625 ( -3.841 0.000 -1.920) 4.294 2.809 ( -6.944 0.000 12.284) 14.111 3.035 ( -0.978 0.000 -11.510) 11.551 3.073 ( 0.713 0.000 0.772) 1.051 3.172 ( 0.142 0.000 0.026) 0.144 3.238 ( -1.497 0.000 -3.381) 3.697 3.622 ( -3.139 0.000 2.898) 4.272 3.911 ( 3.365 0.000 -0.820) 3.463 4.152 ( 6.644 0.000 -3.959) 7.734 4.209 ( -7.291 0.000 -0.264) 7.296 4.564 ( -1.422 0.000 3.947) 4.195 4.945 ( -5.898 0.000 2.996) 6.615 5.358 ( 0.335 0.000 -1.411) 1.450 5.481 ( -0.870 0.000 -1.560) 1.786 5.726 ( 1.853 0.000 -2.673) 3.252 5.896 ( -2.858 0.000 -0.652) 2.931 6.383 ( 6.194 0.000 -1.145) 6.299 6.575 ( 4.778 0.000 2.124) 5.229 7.139 ( 2.413 0.000 2.119) 3.211 7.427 ( 1.302 0.000 1.582) 2.049 7.772 ( 1.906 0.000 -0.207) 1.917 8.027 ( -12.511 0.000 4.909) 13.440 8.274 ( -8.214 0.000 3.878) 9.084 8.697 ( 0.871 0.000 2.423) 2.575 8.850 ( -5.217 0.000 -1.764) 5.507 9.216 ( -2.710 0.000 4.408) 5.175 9.830 ( -9.012 0.000 9.359) 12.992 10.329 ( 1.485 0.000 1.414) 2.050 10.580 ( 8.084 0.000 -0.496) 8.099 10.731 ( 9.126 0.000 -3.204) 9.672 11.028 ( -1.788 0.000 -7.552) 7.761 11.226 ( -14.710 0.000 -2.219) 14.876 11.323 ( -2.387 0.000 0.495) 2.438 11.733 ( -0.606 0.000 1.048) 1.211 12.122 ( 0.115 0.000 10.825) 10.826 12.372 ( -6.881 0.000 13.561) 15.207 12.874 ( -0.673 0.000 -11.522) 11.542 13.372 ( -3.870 0.000 1.681) 4.219 13.636 ( -8.301 0.000 -0.496) 8.316 13.828 ( 9.199 0.000 -2.184) 9.454 13.961 ( 8.328 0.000 1.913) 8.545 14.477 ( 11.938 0.000 -23.912) 26.726 14.712 ( -1.211 0.000 3.713) 3.905 15.225 ( 3.929 0.000 -12.242) 12.857 15.343 ( -2.227 0.000 4.126) 4.688 15.578 ( -7.967 0.000 15.358) 17.301 16.426 ( -0.545 0.000 0.601) 0.812 ======================= Grid point 66 (24/125) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -2.712 0.000 5.864) 6.461 1.066 ( -6.421 0.000 3.249) 7.197 1.166 ( 8.640 0.000 8.708) 12.267 1.358 ( 7.168 0.000 -0.449) 7.182 1.534 ( -2.549 0.000 0.699) 2.643 1.637 ( 2.147 0.000 0.523) 2.209 1.737 ( 2.307 0.000 -5.504) 5.968 1.775 ( 3.275 0.000 -0.241) 3.284 1.821 ( 0.389 0.000 -7.373) 7.383 1.973 ( 11.573 0.000 2.546) 11.850 2.130 ( 0.734 0.000 8.359) 8.391 2.453 ( -0.529 0.000 -6.360) 6.381 2.565 ( 4.999 0.000 -0.926) 5.084 2.598 ( 1.126 0.000 0.851) 1.411 2.701 ( -13.063 0.000 9.792) 16.326 2.919 ( -0.376 0.000 -1.753) 1.793 3.082 ( -0.663 0.000 -2.032) 2.137 3.137 ( -1.878 0.000 -1.930) 2.693 3.184 ( -0.091 0.000 -5.537) 5.538 3.584 ( -2.481 0.000 1.594) 2.949 3.998 ( -0.092 0.000 2.969) 2.971 4.080 ( 1.204 0.000 -4.224) 4.392 4.262 ( 6.063 0.000 -1.575) 6.264 4.560 ( -2.021 0.000 3.197) 3.782 4.865 ( -5.072 0.000 3.720) 6.290 5.381 ( 3.046 0.000 -1.710) 3.493 5.467 ( 0.708 0.000 -0.513) 0.875 5.694 ( 1.931 0.000 -15.166) 15.288 5.936 ( 4.388 0.000 5.064) 6.701 6.455 ( 2.823 0.000 -2.698) 3.905 6.628 ( -0.691 0.000 1.259) 1.436 7.137 ( -7.949 0.000 13.499) 15.665 7.510 ( 7.691 0.000 -4.351) 8.836 7.833 ( 4.406 0.000 -0.406) 4.425 7.885 ( -6.882 0.000 4.539) 8.244 8.140 ( -8.521 0.000 3.605) 9.252 8.720 ( 0.099 0.000 0.625) 0.633 8.760 ( -2.393 0.000 0.270) 2.408 9.226 ( -0.851 0.000 9.241) 9.280 9.730 ( -7.741 0.000 6.531) 10.128 10.346 ( -0.305 0.000 0.371) 0.480 10.637 ( 1.692 0.000 -1.818) 2.483 10.824 ( -6.260 0.000 -6.498) 9.023 10.924 ( 9.049 0.000 -4.474) 10.094 11.227 ( 7.658 0.000 1.405) 7.786 11.238 ( -4.570 0.000 -0.822) 4.644 11.758 ( -0.056 0.000 3.359) 3.359 12.165 ( -5.152 0.000 12.131) 13.180 12.313 ( -8.553 0.000 12.210) 14.907 12.766 ( -0.045 0.000 -14.408) 14.408 13.370 ( 2.668 0.000 -0.891) 2.813 13.461 ( -8.388 0.000 -0.953) 8.442 13.985 ( 5.833 0.000 4.274) 7.231 14.097 ( 4.688 0.000 0.678) 4.737 14.514 ( 11.802 0.000 -22.628) 25.520 14.726 ( -0.470 0.000 3.409) 3.441 15.170 ( 0.899 0.000 -11.006) 11.043 15.327 ( -1.357 0.000 -0.470) 1.437 15.569 ( -6.504 0.000 15.777) 17.064 16.410 ( -0.995 0.000 -0.680) 1.205 ======================= Grid point 67 (25/125) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -7.474 0.000 3.900) 8.431 0.942 ( -9.522 0.000 3.918) 10.296 1.335 ( 0.909 0.000 7.674) 7.727 1.399 ( 1.764 0.000 1.795) 2.517 1.632 ( -1.604 0.000 -0.384) 1.650 1.665 ( 8.082 0.000 5.610) 9.838 1.740 ( -1.107 0.000 -2.465) 2.702 1.755 ( -2.376 0.000 -5.450) 5.946 1.854 ( 6.314 0.000 0.734) 6.357 1.977 ( -13.687 0.000 3.444) 14.113 2.222 ( 1.284 0.000 3.406) 3.640 2.427 ( -8.737 0.000 -3.092) 9.268 2.440 ( 4.455 0.000 -4.329) 6.212 2.602 ( -6.631 0.000 9.864) 11.886 2.668 ( 4.425 0.000 3.006) 5.350 2.993 ( -3.767 0.000 -4.983) 6.247 3.050 ( 10.457 0.000 -1.440) 10.556 3.090 ( -1.589 0.000 -5.002) 5.249 3.154 ( 2.003 0.000 -5.770) 6.108 3.562 ( -0.496 0.000 0.123) 0.511 3.921 ( -2.557 0.000 -2.703) 3.721 4.211 ( 6.646 0.000 3.769) 7.640 4.324 ( 0.900 0.000 -0.894) 1.269 4.545 ( -1.675 0.000 2.253) 2.807 4.838 ( -0.227 0.000 3.852) 3.859 5.418 ( 0.053 0.000 1.009) 1.011 5.503 ( 2.533 0.000 1.041) 2.738 5.627 ( 5.440 0.000 -14.487) 15.474 6.063 ( 4.895 0.000 1.738) 5.195 6.432 ( -3.273 0.000 -2.920) 4.386 6.581 ( -3.401 0.000 -2.048) 3.970 7.101 ( -7.972 0.000 17.353) 19.097 7.624 ( 6.403 0.000 -2.720) 6.957 7.805 ( -5.135 0.000 3.636) 6.292 7.879 ( -2.138 0.000 1.455) 2.586 8.071 ( 1.817 0.000 0.698) 1.946 8.710 ( -1.512 0.000 0.489) 1.589 8.799 ( 5.292 0.000 1.970) 5.647 9.359 ( 4.886 0.000 15.861) 16.597 9.659 ( -3.595 0.000 3.284) 4.869 10.333 ( -0.989 0.000 0.309) 1.036 10.632 ( -1.263 0.000 -2.451) 2.758 10.764 ( 5.207 0.000 -7.292) 8.960 10.867 ( -6.807 0.000 -6.494) 9.408 11.278 ( 7.237 0.000 0.587) 7.261 11.448 ( 10.128 0.000 11.425) 15.268 11.722 ( -5.464 0.000 1.054) 5.565 12.131 ( -7.147 0.000 9.904) 12.213 12.287 ( -5.040 0.000 11.660) 12.703 12.635 ( 0.317 0.000 -19.690) 19.693 13.312 ( -4.322 0.000 -1.387) 4.539 13.459 ( 6.395 0.000 -2.716) 6.948 14.100 ( 0.655 0.000 8.325) 8.351 14.136 ( -1.927 0.000 1.455) 2.415 14.568 ( 11.787 0.000 -19.495) 22.781 14.744 ( -1.175 0.000 4.697) 4.841 15.099 ( 1.492 0.000 -11.682) 11.777 15.277 ( -0.921 0.000 -6.975) 7.035 15.576 ( -6.620 0.000 16.905) 18.155 16.384 ( -0.510 0.000 -1.826) 1.896 ======================= Grid point 68 (26/125) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -14.552 0.000 5.031) 15.397 0.757 ( -14.350 0.000 5.118) 15.235 1.211 ( -19.590 0.000 0.361) 19.594 1.429 ( -3.896 0.000 2.757) 4.773 1.615 ( -4.439 0.000 9.580) 10.559 1.654 ( -2.297 0.000 -4.066) 4.670 1.656 ( -0.481 0.000 -6.581) 6.598 1.726 ( -12.955 0.000 6.909) 14.682 1.872 ( 9.720 0.000 5.650) 11.243 2.048 ( 10.850 0.000 3.639) 11.444 2.113 ( -9.089 0.000 -4.961) 10.355 2.309 ( -5.167 0.000 2.241) 5.632 2.461 ( -1.808 0.000 -3.326) 3.785 2.625 ( 0.077 0.000 8.765) 8.766 2.817 ( 6.294 0.000 4.309) 7.627 2.918 ( 0.323 0.000 -5.867) 5.876 3.000 ( 0.012 0.000 -6.934) 6.934 3.101 ( 0.599 0.000 -10.373) 10.391 3.221 ( 7.043 0.000 -7.550) 10.325 3.564 ( 0.926 0.000 -0.467) 1.037 3.894 ( 2.266 0.000 -3.710) 4.347 4.266 ( -5.581 0.000 4.266) 7.025 4.352 ( 3.661 0.000 0.994) 3.793 4.538 ( -1.026 0.000 2.723) 2.909 4.916 ( 4.341 0.000 4.106) 5.975 5.390 ( -1.827 0.000 -1.098) 2.131 5.554 ( 0.820 0.000 1.802) 1.980 5.722 ( 12.382 0.000 -2.659) 12.664 6.129 ( 1.460 0.000 -0.004) 1.460 6.292 ( -7.530 0.000 -3.749) 8.411 6.487 ( -3.628 0.000 -4.124) 5.492 7.135 ( -2.687 0.000 16.817) 17.030 7.608 ( -6.564 0.000 0.239) 6.569 7.817 ( -3.787 0.000 1.716) 4.158 7.840 ( 5.238 0.000 4.766) 7.082 8.184 ( 7.694 0.000 -0.038) 7.695 8.679 ( -2.437 0.000 1.786) 3.021 8.937 ( 6.513 0.000 0.692) 6.550 9.653 ( 1.220 0.000 1.068) 1.621 9.681 ( 12.153 0.000 25.196) 27.974 10.328 ( -0.672 0.000 3.612) 3.673 10.503 ( -9.259 0.000 -2.670) 9.636 10.751 ( -0.249 0.000 -4.315) 4.322 10.862 ( 11.170 0.000 -10.587) 15.390 11.412 ( 3.035 0.000 4.741) 5.629 11.627 ( -1.018 0.000 -5.294) 5.391 11.776 ( 5.057 0.000 28.865) 29.305 12.106 ( 2.189 0.000 4.256) 4.786 12.264 ( -6.959 0.000 10.802) 12.850 12.442 ( -1.131 0.000 -28.831) 28.853 13.277 ( 1.416 0.000 -0.802) 1.627 13.560 ( 7.111 0.000 -5.176) 8.795 14.020 ( -12.347 0.000 2.044) 12.515 14.132 ( -4.626 0.000 8.800) 9.942 14.645 ( 11.891 0.000 -17.477) 21.138 14.755 ( -2.651 0.000 7.142) 7.618 15.059 ( 4.998 0.000 -14.245) 15.096 15.167 ( -2.476 0.000 -13.061) 13.293 15.594 ( -6.304 0.000 19.280) 20.284 16.367 ( 0.475 0.000 -2.056) 2.110 ======================= Grid point 69 (27/125) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -16.345 0.000 10.941) 19.668 0.468 ( -20.152 0.000 5.409) 20.866 0.742 ( -29.233 0.000 9.543) 30.751 1.311 ( -6.890 0.000 -0.473) 6.907 1.566 ( -9.173 0.000 6.715) 11.368 1.600 ( 0.996 0.000 -0.228) 1.022 1.634 ( 1.492 0.000 -1.082) 1.843 1.689 ( 1.616 0.000 4.850) 5.112 1.942 ( -4.319 0.000 -1.649) 4.623 2.086 ( 8.557 0.000 3.749) 9.342 2.207 ( -0.648 0.000 -5.252) 5.292 2.216 ( -4.385 0.000 -2.537) 5.066 2.409 ( 2.182 0.000 4.616) 5.106 2.707 ( 0.115 0.000 9.987) 9.987 2.744 ( -5.602 0.000 -6.738) 8.762 2.835 ( -16.042 0.000 -27.148) 31.533 2.955 ( 4.960 0.000 -6.006) 7.789 3.092 ( 6.639 0.000 1.810) 6.881 3.242 ( 1.308 0.000 -2.476) 2.800 3.600 ( 1.473 0.000 3.186) 3.509 3.932 ( 4.596 0.000 -4.337) 6.320 4.171 ( -6.673 0.000 2.190) 7.024 4.396 ( -0.426 0.000 2.614) 2.649 4.546 ( -1.028 0.000 3.431) 3.581 5.036 ( 3.650 0.000 5.068) 6.245 5.362 ( -0.028 0.000 -0.939) 0.939 5.534 ( -4.086 0.000 1.265) 4.277 6.075 ( 18.730 0.000 5.162) 19.428 6.137 ( 6.009 0.000 -4.573) 7.551 6.158 ( -2.038 0.000 -3.809) 4.320 6.393 ( -2.317 0.000 -3.743) 4.402 7.194 ( -3.460 0.000 -4.196) 5.438 7.502 ( -4.394 0.000 8.129) 9.240 7.781 ( -1.322 0.000 0.926) 1.614 8.067 ( 12.388 0.000 19.068) 22.738 8.318 ( 5.443 0.000 1.127) 5.558 8.653 ( -2.224 0.000 2.718) 3.512 9.025 ( 3.157 0.000 -1.546) 3.515 9.726 ( 5.916 0.000 0.366) 5.928 10.114 ( 9.128 0.000 6.508) 11.211 10.318 ( -8.829 0.000 1.529) 8.960 10.430 ( 1.464 0.000 12.851) 12.934 10.735 ( 1.127 0.000 -3.916) 4.075 11.002 ( 17.561 0.000 -4.855) 18.219 11.427 ( -2.967 0.000 1.269) 3.227 11.644 ( 5.365 0.000 -3.091) 6.191 11.806 ( -23.828 0.000 -10.999) 26.244 12.061 ( -3.029 0.000 -7.486) 8.075 12.226 ( -6.291 0.000 13.242) 14.661 12.653 ( 37.329 0.000 28.918) 47.220 13.338 ( 6.755 0.000 -4.054) 7.878 13.624 ( 3.187 0.000 -4.302) 5.354 13.718 ( -19.024 0.000 -0.496) 19.030 14.072 ( -7.590 0.000 6.017) 9.685 14.749 ( 10.104 0.000 -16.037) 18.954 14.754 ( -4.290 0.000 8.946) 9.922 14.810 ( -9.874 0.000 -32.846) 34.298 15.157 ( 6.842 0.000 -1.925) 7.108 15.668 ( -3.121 0.000 23.613) 23.818 16.371 ( 1.313 0.000 -1.221) 1.793 ======================= Grid point 70 (28/125) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -6.954 17.411 2.718) 18.944 0.454 ( -7.209 8.835 13.873) 17.958 0.868 ( 4.026 25.782 11.072) 28.346 1.256 ( -0.201 2.665 -2.085) 3.390 1.477 ( -3.860 -2.787 5.794) 7.499 1.546 ( -5.354 -1.366 5.194) 7.583 1.638 ( -0.946 -0.075 -1.099) 1.452 1.786 ( 2.153 5.284 4.329) 7.162 1.867 ( 0.229 -6.214 -0.894) 6.282 1.941 ( -4.902 -5.588 -8.337) 11.170 2.134 ( -3.277 0.237 -5.404) 6.325 2.247 ( 8.228 -2.567 1.947) 8.836 2.359 ( -2.956 -3.484 -5.493) 7.145 2.472 ( 4.532 -2.508 2.904) 5.938 2.711 ( 2.312 -4.128 7.572) 8.929 2.820 ( 6.085 -1.816 3.242) 7.130 2.954 ( 0.349 -1.003 -5.116) 5.225 3.056 ( -1.285 -6.496 -2.881) 7.222 3.310 ( 0.339 3.769 4.106) 5.583 3.672 ( -0.303 2.296 4.089) 4.699 3.862 ( -0.521 -10.413 -5.033) 11.577 4.129 ( -1.238 5.459 0.395) 5.612 4.425 ( -0.804 3.988 0.652) 4.121 4.618 ( -1.820 5.430 1.730) 5.983 5.100 ( -0.463 0.351 3.462) 3.510 5.271 ( -2.531 -5.917 1.250) 6.556 5.578 ( 0.036 5.195 -1.113) 5.313 5.890 ( -9.457 -17.515 15.053) 24.956 6.055 ( -2.035 -1.710 -3.429) 4.339 6.086 ( 2.324 -6.621 -0.790) 7.061 6.304 ( 1.621 -7.053 -9.020) 11.564 6.900 ( -0.231 -11.526 4.340) 12.319 7.563 ( -2.365 11.491 0.925) 11.768 7.847 ( -0.272 6.814 -0.124) 6.820 8.064 ( 0.445 -6.610 6.416) 9.223 8.380 ( 0.288 -6.924 1.740) 7.145 9.143 ( 7.064 9.864 0.129) 12.133 9.185 ( 0.708 12.162 -0.863) 12.213 9.741 ( -30.793 17.072 -15.183) 38.343 9.881 ( 5.583 1.982 2.065) 6.274 10.110 ( 0.812 -3.814 4.125) 5.676 10.446 ( -4.718 13.739 0.909) 14.555 10.797 ( -12.686 -7.449 -14.468) 20.633 11.081 ( 0.620 0.424 2.785) 2.884 11.312 ( -12.133 -9.755 -0.429) 15.574 11.623 ( 19.632 2.876 1.651) 19.910 11.755 ( 1.706 1.426 1.565) 2.719 11.979 ( 3.859 -3.360 13.729) 14.652 12.446 ( -3.439 11.289 -6.284) 13.370 13.078 ( 3.117 -14.157 2.344) 14.684 13.385 ( -0.794 -2.239 -4.821) 5.375 13.498 ( 2.322 -3.319 -6.451) 7.617 13.675 ( 0.250 1.363 6.128) 6.283 13.958 ( -5.038 0.726 0.013) 5.090 14.465 ( 5.406 -17.503 3.659) 18.681 14.547 ( 1.760 10.851 -19.480) 22.368 15.098 ( 6.479 3.413 -4.599) 8.648 15.353 ( 5.614 5.008 -1.846) 7.746 15.717 ( -8.602 0.122 19.584) 21.390 16.393 ( 1.497 -0.963 0.929) 2.008 ======================= Grid point 71 (29/125) ======================= q-point: ( 0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 9.300 6.552 5.615) 12.687 0.658 ( 14.564 6.059 8.019) 17.695 1.124 ( 9.761 16.742 8.498) 21.161 1.270 ( 1.479 2.359 -1.616) 3.220 1.408 ( -2.333 1.416 3.611) 4.527 1.587 ( 3.562 1.153 6.807) 7.768 1.615 ( -0.902 -4.947 -0.657) 5.071 1.713 ( -4.181 -6.804 -8.068) 11.352 1.882 ( 1.948 4.742 0.277) 5.134 1.919 ( -1.859 -6.455 -1.348) 6.851 2.087 ( 2.794 3.892 -4.028) 6.259 2.214 ( -1.387 5.169 -0.130) 5.353 2.409 ( 7.447 -2.067 -0.751) 7.765 2.686 ( 4.532 -6.993 0.233) 8.336 2.758 ( -3.097 -2.732 4.961) 6.455 2.901 ( 1.899 -6.085 -0.007) 6.374 2.967 ( 5.551 -9.179 -2.441) 11.001 3.045 ( 2.217 -5.914 -2.409) 6.760 3.313 ( -2.336 3.068 1.313) 4.073 3.681 ( -2.136 2.131 4.023) 5.029 3.809 ( 0.257 -9.669 -5.393) 11.075 4.144 ( 2.257 5.258 0.160) 5.724 4.374 ( -4.499 4.752 -0.714) 6.583 4.601 ( -1.625 3.891 2.382) 4.842 5.043 ( -5.528 0.751 2.697) 6.197 5.310 ( 3.178 -4.659 -0.100) 5.641 5.527 ( -4.092 0.719 -1.301) 4.353 5.763 ( -9.372 -2.711 8.894) 13.202 5.963 ( -3.360 -2.175 -3.599) 5.383 6.204 ( 7.916 -6.623 -0.730) 10.347 6.366 ( 9.830 -4.975 -3.086) 11.441 6.942 ( 0.624 -9.574 4.629) 10.653 7.531 ( -1.533 10.445 0.654) 10.577 7.844 ( 0.174 6.299 -0.576) 6.327 8.069 ( -4.598 -5.901 4.764) 8.869 8.369 ( -3.225 -6.263 1.467) 7.196 8.969 ( -18.320 12.300 3.475) 22.338 9.195 ( -9.528 24.490 -8.684) 27.676 9.263 ( -0.340 5.941 0.271) 5.957 9.942 ( -3.931 3.302 7.807) 9.344 10.225 ( 5.776 -2.757 3.481) 7.286 10.466 ( 8.381 8.760 -0.636) 12.140 10.622 ( -0.225 -6.628 -7.372) 9.916 11.078 ( -3.424 -0.852 1.738) 3.933 11.123 ( -7.803 -11.849 1.695) 14.289 11.773 ( -1.083 3.009 0.499) 3.237 11.878 ( -1.060 5.091 10.817) 12.002 11.989 ( -5.773 3.923 -10.706) 12.780 12.358 ( -0.295 2.292 11.345) 11.578 12.974 ( -1.489 -1.886 -9.534) 9.833 13.423 ( -5.871 -4.822 0.147) 7.599 13.520 ( 11.210 -8.283 -3.775) 14.440 13.757 ( -5.203 -0.451 3.258) 6.155 13.856 ( 4.661 2.229 0.459) 5.187 14.405 ( 3.567 -6.289 -15.708) 17.292 14.685 ( 7.011 0.141 -1.346) 7.141 15.182 ( 6.811 -0.321 -7.395) 10.059 15.387 ( -0.857 3.163 0.620) 3.335 15.678 ( -9.068 4.043 15.704) 18.579 16.419 ( 0.222 -0.556 1.476) 1.593 ======================= Grid point 72 (30/125) ======================= q-point: ( 0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 13.330 -0.421 6.585) 14.874 1.000 ( 13.965 5.215 5.448) 15.872 1.134 ( -7.963 1.444 2.651) 8.516 1.337 ( 4.360 4.031 -2.464) 6.428 1.483 ( 2.726 -1.625 -1.637) 3.571 1.601 ( 3.257 -6.410 -2.082) 7.485 1.645 ( 1.338 -0.821 1.719) 2.328 1.751 ( -6.043 -4.240 -5.747) 9.356 1.792 ( 9.041 6.750 5.465) 12.537 1.911 ( 1.858 3.898 -3.163) 5.353 2.139 ( 2.779 7.134 0.657) 7.684 2.347 ( 8.564 1.811 3.852) 9.563 2.485 ( 3.183 -1.433 -3.556) 4.983 2.609 ( -2.839 -1.511 -0.671) 3.286 2.793 ( -4.478 -1.620 11.224) 12.193 2.948 ( 1.028 -7.459 -6.337) 9.841 2.998 ( 0.788 -11.574 -0.275) 11.604 3.054 ( 0.575 -5.343 -2.702) 6.015 3.245 ( -4.601 1.075 -1.003) 4.830 3.659 ( -2.975 2.654 2.733) 4.834 3.819 ( 4.589 -9.000 -2.164) 10.332 4.197 ( -1.040 1.341 3.505) 3.894 4.266 ( -1.017 7.790 -5.988) 9.878 4.591 ( -1.883 2.330 2.800) 4.100 4.962 ( -5.350 1.599 2.555) 6.141 5.353 ( 2.718 -1.272 -1.581) 3.392 5.454 ( -1.352 -1.550 -3.018) 3.652 5.723 ( 1.683 -0.386 -4.142) 4.488 5.892 ( -1.970 -0.409 1.098) 2.293 6.334 ( 6.149 -5.344 -1.217) 8.237 6.551 ( 8.525 -2.105 1.182) 8.860 6.973 ( -3.098 -12.509 7.785) 15.056 7.523 ( 0.824 8.777 -0.320) 8.822 7.849 ( 0.669 4.416 -0.503) 4.494 7.993 ( -5.225 -0.477 2.715) 5.908 8.276 ( -7.133 -2.752 1.089) 7.723 8.755 ( -6.681 7.913 2.715) 10.706 9.017 ( -7.250 12.544 -1.806) 14.601 9.206 ( -5.733 0.137 4.189) 7.102 9.857 ( -9.871 1.270 6.817) 12.063 10.351 ( 4.367 1.978 2.550) 5.430 10.568 ( 1.509 -4.953 -4.185) 6.658 10.727 ( 13.464 1.890 -1.728) 13.706 10.945 ( -10.022 -6.226 1.223) 11.862 11.069 ( 2.681 -2.215 -1.917) 3.971 11.656 ( -8.104 19.441 -2.774) 21.244 11.757 ( -2.418 2.041 -0.258) 3.175 12.003 ( -4.547 -8.372 11.979) 15.306 12.463 ( 0.268 6.154 9.027) 10.928 12.891 ( 0.438 1.434 -10.526) 10.632 13.323 ( -3.538 -4.750 0.531) 5.947 13.605 ( -8.691 -3.076 -0.693) 9.245 13.707 ( 9.812 -9.000 -0.570) 13.327 14.011 ( 6.664 2.807 1.583) 7.403 14.386 ( 8.123 -7.515 -16.973) 20.262 14.754 ( 2.621 2.732 -1.792) 4.189 15.211 ( 3.604 -1.165 -10.870) 11.511 15.364 ( -2.674 2.150 3.851) 5.158 15.652 ( -6.081 6.914 13.628) 16.447 16.423 ( -0.846 -0.553 0.981) 1.409 ======================= Grid point 73 (31/125) ======================= q-point: ( 0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -3.294 4.453 7.311) 9.172 1.062 ( 5.584 -4.185 4.899) 8.527 1.207 ( 2.329 7.471 2.758) 8.297 1.374 ( 2.975 1.073 -1.121) 3.355 1.524 ( 2.631 -0.358 0.193) 2.662 1.600 ( -1.694 -4.552 -4.881) 6.886 1.668 ( 5.402 -6.473 0.072) 8.431 1.709 ( 1.700 -0.053 2.320) 2.877 1.900 ( 1.264 4.466 -3.954) 6.097 2.046 ( 7.871 5.554 2.930) 10.069 2.179 ( -0.091 3.864 2.883) 4.822 2.416 ( 0.995 -2.918 -1.886) 3.614 2.506 ( -0.903 -0.503 -2.754) 2.942 2.667 ( -1.026 1.470 7.384) 7.598 2.743 ( -4.833 3.981 0.999) 6.341 2.852 ( -1.014 -5.850 -0.637) 5.972 2.995 ( -0.337 -11.572 -3.844) 12.198 3.042 ( 0.539 -7.812 -2.516) 8.224 3.155 ( -2.981 0.953 -1.938) 3.682 3.622 ( -2.430 2.947 1.631) 4.153 3.945 ( 8.495 -8.540 1.154) 12.101 4.077 ( -8.195 1.547 0.729) 8.372 4.330 ( 6.621 7.045 -4.113) 10.507 4.572 ( -2.336 1.203 3.180) 4.125 4.885 ( -4.562 1.744 2.386) 5.436 5.407 ( 3.008 -2.549 -0.151) 3.945 5.426 ( 1.803 0.983 -3.341) 3.922 5.687 ( 2.339 -0.631 -14.033) 14.240 5.946 ( 3.973 0.758 5.068) 6.484 6.405 ( 2.389 -4.730 -1.797) 5.595 6.654 ( 0.992 1.701 0.544) 2.043 6.944 ( -7.829 -15.343 11.666) 20.804 7.567 ( 4.350 6.370 -0.639) 7.740 7.829 ( -4.024 -0.034 2.703) 4.847 7.976 ( 2.871 5.319 -0.951) 6.118 8.151 ( -6.262 0.060 1.245) 6.385 8.700 ( -2.431 3.022 2.223) 4.470 8.906 ( -2.747 9.390 0.876) 9.823 9.171 ( -2.454 -3.817 8.779) 9.882 9.733 ( -6.987 -1.339 4.557) 8.449 10.398 ( -0.612 5.485 0.525) 5.544 10.544 ( 0.014 -9.000 -6.587) 11.154 10.755 ( -4.263 -4.701 3.013) 7.025 10.979 ( 8.750 5.708 -4.452) 11.357 11.187 ( 9.204 -0.341 1.672) 9.361 11.518 ( -4.736 20.206 -3.094) 20.983 11.752 ( -0.600 -0.171 3.944) 3.993 11.947 ( -10.432 -12.638 12.513) 20.619 12.504 ( -1.663 10.329 5.542) 11.840 12.807 ( -0.513 3.928 -10.930) 11.626 13.315 ( 2.467 -5.420 -1.950) 6.266 13.439 ( -7.621 -1.654 0.223) 7.801 13.875 ( 6.792 -10.046 2.361) 12.354 14.104 ( 1.921 -0.750 1.392) 2.488 14.431 ( 9.702 -5.530 -14.991) 18.693 14.780 ( 1.669 3.555 -0.835) 4.015 15.161 ( 1.221 -0.871 -11.603) 11.699 15.345 ( -1.751 1.929 0.747) 2.710 15.656 ( -5.190 7.855 13.523) 16.478 16.405 ( -1.252 -0.644 -0.312) 1.443 ======================= Grid point 74 (32/125) ======================= q-point: (-0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -7.100 4.744 6.943) 11.005 1.117 ( -7.509 13.651 -0.018) 15.580 1.248 ( 1.281 -5.371 9.156) 10.692 1.426 ( 3.692 0.210 1.948) 4.179 1.573 ( 1.895 -4.500 -3.233) 5.856 1.641 ( 1.560 -3.218 2.231) 4.215 1.724 ( 0.676 3.622 5.617) 6.718 1.786 ( 3.514 -3.830 1.484) 5.406 1.872 ( 0.822 4.026 -5.872) 7.167 2.006 ( -11.975 2.006 0.528) 12.153 2.217 ( 0.242 0.726 0.991) 1.252 2.388 ( -7.907 -2.822 -2.689) 8.815 2.477 ( 5.773 2.145 -1.312) 6.297 2.594 ( -6.551 -0.427 8.055) 10.391 2.654 ( -1.146 -1.775 -0.013) 2.113 2.930 ( -2.381 -9.430 -5.263) 11.059 2.977 ( 5.163 -2.625 -2.386) 6.264 3.012 ( -0.540 -9.399 -3.602) 10.080 3.132 ( 3.691 1.903 -1.822) 4.535 3.602 ( -0.524 3.176 0.387) 3.242 3.951 ( -4.629 -1.008 -0.194) 4.741 4.132 ( 8.420 -5.650 3.228) 10.641 4.368 ( -0.571 5.668 -2.608) 6.266 4.579 ( 0.808 2.470 2.893) 3.889 4.849 ( -0.461 0.986 1.790) 2.094 5.431 ( 1.394 -4.143 0.011) 4.371 5.478 ( 1.882 2.890 0.105) 3.450 5.641 ( 5.813 1.157 -12.789) 14.095 6.058 ( 3.662 -0.565 2.268) 4.344 6.390 ( -2.479 -4.126 -1.955) 5.195 6.597 ( -5.716 1.008 -2.184) 6.202 6.885 ( -8.507 -16.801 13.744) 23.314 7.664 ( 3.782 5.250 2.095) 6.801 7.766 ( -2.900 -0.300 1.603) 3.327 8.012 ( -1.903 5.049 -0.608) 5.430 8.104 ( 3.593 2.206 -0.214) 4.222 8.691 ( -0.207 2.816 2.285) 3.632 8.952 ( 5.699 10.273 2.191) 11.950 9.277 ( 4.650 -5.395 13.778) 15.510 9.686 ( -0.945 0.034 2.589) 2.756 10.356 ( -3.175 3.044 -0.851) 4.480 10.503 ( 3.583 -10.765 -8.935) 14.442 10.745 ( -1.720 2.310 4.009) 4.936 11.012 ( -2.246 7.433 -2.023) 8.024 11.394 ( 6.118 -3.638 10.675) 12.830 11.488 ( 6.272 15.037 -5.496) 17.194 11.723 ( -3.550 2.920 1.436) 4.816 11.884 ( -5.802 -13.945 10.734) 18.530 12.498 ( -3.349 11.092 4.689) 12.500 12.689 ( -1.295 5.112 -15.007) 15.907 13.290 ( -2.802 -1.864 -0.313) 3.380 13.423 ( 5.920 -3.305 -2.718) 7.305 13.985 ( 0.868 -10.863 5.731) 12.313 14.109 ( -2.250 -3.448 0.721) 4.179 14.492 ( 6.713 -4.470 -10.268) 13.057 14.815 ( 2.305 5.017 0.843) 5.585 15.087 ( 1.689 -1.415 -12.880) 13.067 15.301 ( -1.306 2.413 -4.788) 5.518 15.665 ( -5.719 8.058 14.344) 17.418 16.377 ( -0.796 -0.799 -1.476) 1.858 ======================= Grid point 75 (33/125) ======================= q-point: (-0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -11.138 8.733 7.500) 16.017 0.912 ( -13.635 12.028 1.960) 18.288 1.250 ( -11.307 4.739 1.863) 12.401 1.429 ( -5.628 0.913 2.438) 6.201 1.569 ( -3.529 -3.090 -0.410) 4.709 1.628 ( 0.559 0.643 5.507) 5.572 1.705 ( -8.495 -0.532 5.042) 9.893 1.737 ( -5.105 2.588 -2.499) 6.245 1.903 ( 5.120 2.255 2.180) 6.004 1.954 ( 3.603 -6.900 0.118) 7.785 2.150 ( -1.202 1.788 -3.379) 4.007 2.251 ( -5.014 -6.066 0.247) 7.874 2.477 ( -4.783 0.660 -3.833) 6.165 2.595 ( -0.674 -3.028 7.979) 8.560 2.728 ( 0.865 -7.107 -0.205) 7.163 2.852 ( 1.874 -6.409 -3.290) 7.444 2.958 ( 2.193 -4.056 -4.115) 6.180 2.999 ( 0.104 -5.098 -5.692) 7.642 3.220 ( 4.668 0.604 -2.934) 5.547 3.605 ( 0.761 3.434 -0.260) 3.527 3.897 ( -0.732 -3.745 -1.334) 4.043 4.280 ( -2.762 -0.428 6.199) 6.800 4.308 ( 3.437 1.688 -3.606) 5.260 4.620 ( 0.795 5.753 2.001) 6.143 4.901 ( 3.978 -1.306 1.880) 4.589 5.434 ( -2.450 1.900 1.574) 3.477 5.511 ( 3.807 -1.951 -1.976) 4.712 5.717 ( 7.219 -0.262 -2.333) 7.591 6.098 ( -0.822 -2.868 0.795) 3.088 6.284 ( -6.198 -1.891 -2.325) 6.884 6.449 ( -5.895 -4.220 -3.798) 8.184 6.854 ( -5.968 -18.446 13.040) 23.365 7.654 ( -4.622 5.711 3.983) 8.357 7.832 ( 6.190 1.867 -0.437) 6.480 7.943 ( -3.436 5.481 0.522) 6.490 8.223 ( 7.200 -0.308 -0.256) 7.211 8.739 ( 3.595 7.617 3.188) 9.006 9.097 ( 6.983 11.593 0.126) 13.534 9.556 ( 10.378 -3.345 14.359) 18.029 9.744 ( 5.715 1.038 3.943) 7.020 10.280 ( -4.288 -2.732 -0.203) 5.089 10.566 ( 10.043 -8.771 -5.655) 14.483 10.690 ( -6.024 14.422 0.810) 15.650 10.974 ( -1.649 -0.414 5.850) 6.092 11.477 ( -3.992 -7.653 4.099) 9.556 11.608 ( 9.823 10.499 -5.921) 15.550 11.704 ( -9.198 -3.072 12.786) 16.048 11.987 ( 14.797 -4.933 5.768) 16.630 12.431 ( -10.792 9.790 7.915) 16.582 12.533 ( 3.279 7.736 -23.330) 24.797 13.287 ( 2.171 1.186 1.031) 2.680 13.529 ( 8.029 -3.053 -5.298) 10.093 13.966 ( -10.759 -9.342 9.690) 17.231 14.034 ( -4.454 -4.816 -1.721) 6.781 14.492 ( 0.494 -8.149 -7.184) 10.875 14.890 ( 4.766 7.637 0.734) 9.032 15.034 ( 3.983 -2.875 -14.852) 15.643 15.219 ( -1.117 4.323 -8.614) 9.702 15.670 ( -6.425 7.193 16.205) 18.858 16.357 ( 0.176 -1.050 -1.694) 2.001 ======================= Grid point 76 (34/125) ======================= q-point: (-0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -13.961 13.099 3.199) 19.409 0.654 ( -17.169 9.797 7.522) 21.150 0.926 ( -17.214 20.489 4.402) 27.120 1.325 ( -5.692 1.226 -0.059) 5.823 1.524 ( -4.003 -4.322 3.010) 6.615 1.577 ( -6.185 0.267 8.640) 10.629 1.668 ( -0.646 2.515 -3.641) 4.472 1.718 ( 2.181 4.056 3.715) 5.917 1.884 ( -3.814 -5.627 -1.033) 6.875 2.064 ( 8.299 -3.016 2.092) 9.074 2.109 ( -3.462 -5.276 -5.690) 8.497 2.249 ( -2.640 -1.170 -3.708) 4.700 2.397 ( 4.668 -4.090 3.536) 7.143 2.522 ( -11.118 -9.733 -7.025) 16.361 2.668 ( -1.462 -4.079 7.362) 8.543 2.833 ( -5.233 -3.493 -7.148) 9.523 2.951 ( 2.731 -0.293 -5.311) 5.979 3.054 ( 5.028 -2.367 -0.524) 5.582 3.256 ( 1.552 1.980 1.524) 2.941 3.634 ( 1.306 3.028 2.307) 4.024 3.887 ( 1.077 -7.748 -3.228) 8.462 4.189 ( -5.253 4.012 0.952) 6.678 4.397 ( 2.891 1.368 1.231) 3.427 4.633 ( -0.860 6.477 1.530) 6.710 5.010 ( 5.230 -2.313 2.512) 6.246 5.370 ( -6.254 0.053 2.218) 6.636 5.564 ( 1.995 2.598 -0.426) 3.303 5.834 ( 3.397 -12.212 5.450) 13.797 6.071 ( -0.757 -4.707 -0.608) 4.806 6.162 ( -5.048 -2.014 -1.311) 5.591 6.354 ( -0.264 -6.338 -5.476) 8.380 6.868 ( -2.704 -19.340 10.469) 22.157 7.604 ( -3.118 9.942 1.777) 10.570 7.866 ( -0.959 7.013 -1.627) 7.263 7.973 ( 3.152 -2.096 5.585) 6.747 8.333 ( 3.753 -4.707 0.851) 6.080 8.902 ( 11.273 14.128 2.624) 18.264 9.187 ( 3.058 12.391 -1.840) 12.894 9.746 ( 6.345 2.305 0.927) 6.814 9.985 ( 7.703 -6.186 4.476) 10.846 10.183 ( -6.813 -8.103 -0.026) 10.587 10.559 ( -7.254 17.840 1.578) 19.323 10.890 ( 22.787 -10.347 3.685) 25.296 11.033 ( 2.599 -7.439 9.694) 12.493 11.321 ( -7.208 6.963 -17.906) 20.519 11.639 ( -10.095 -13.505 17.773) 24.499 11.731 ( 5.595 8.253 -4.942) 11.128 11.994 ( -17.537 1.461 -6.310) 18.695 12.474 ( 5.968 9.434 -11.520) 16.042 12.628 ( 23.467 1.857 18.433) 29.898 13.374 ( 7.409 1.318 -3.362) 8.243 13.612 ( 1.835 -1.268 -4.135) 4.698 13.739 ( -15.161 0.318 3.517) 15.567 13.952 ( -3.555 -6.902 4.579) 9.014 14.427 ( -1.132 -14.678 -5.073) 15.571 14.840 ( -6.408 2.949 -22.747) 23.816 15.017 ( 4.998 5.710 -2.454) 7.975 15.225 ( 7.257 6.230 -2.355) 9.850 15.690 ( -6.541 3.960 19.833) 21.256 16.361 ( 1.267 -1.167 -0.549) 1.807 ======================= Grid point 77 (35/125) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -4.331 12.462 8.703) 15.805 0.789 ( -4.420 18.921 -3.143) 19.683 1.249 ( 0.137 7.443 -0.435) 7.457 1.336 ( 1.536 7.168 -0.508) 7.348 1.420 ( -1.059 -1.405 1.179) 2.117 1.553 ( -3.719 -0.261 1.828) 4.152 1.662 ( -1.839 1.043 -3.313) 3.930 1.730 ( -0.121 -7.089 0.561) 7.112 1.805 ( -3.551 -0.363 -0.481) 3.602 1.950 ( 1.774 5.299 -0.610) 5.621 2.101 ( -4.124 -4.812 -1.259) 6.461 2.180 ( 7.114 -1.725 1.760) 7.529 2.239 ( 5.304 -5.475 1.294) 7.732 2.474 ( 0.618 0.730 3.841) 3.958 2.623 ( 0.597 -4.404 8.010) 9.160 2.727 ( 1.717 -7.225 -2.686) 7.897 2.915 ( 0.663 -1.391 -3.054) 3.420 3.027 ( -3.099 3.232 -4.788) 6.555 3.401 ( 0.180 5.435 4.828) 7.272 3.564 ( -1.767 -14.550 -1.253) 14.710 3.765 ( 0.070 2.432 0.116) 2.436 4.221 ( -1.744 3.186 2.371) 4.337 4.537 ( 2.112 6.796 -3.250) 7.823 4.713 ( -2.067 3.734 -0.719) 4.328 5.092 ( 5.667 -1.584 0.360) 5.895 5.178 ( -7.999 -3.621 2.860) 9.234 5.624 ( -1.711 0.353 -1.978) 2.639 5.745 ( 0.786 -2.811 4.946) 5.743 5.935 ( -0.201 -6.066 3.070) 6.802 6.018 ( -4.968 -2.806 -4.017) 6.978 6.153 ( 4.372 -7.020 -4.963) 9.645 6.613 ( 0.000 -14.889 11.353) 18.723 7.810 ( -0.245 11.588 -3.010) 11.976 7.965 ( -1.486 2.151 1.220) 2.885 8.046 ( 2.088 4.888 -0.405) 5.331 8.242 ( 0.303 -6.544 0.531) 6.572 9.296 ( -1.620 5.610 3.598) 6.859 9.409 ( 0.518 11.659 1.670) 11.790 9.925 ( 5.206 2.379 1.687) 5.968 9.969 ( -6.239 7.928 -8.682) 13.310 10.083 ( 2.023 0.906 2.791) 3.564 10.466 ( -3.070 -18.634 -3.555) 19.217 10.744 ( -9.244 14.162 -3.060) 17.186 11.060 ( -3.542 -11.985 3.060) 12.866 11.140 ( -5.275 -0.895 5.030) 7.343 11.664 ( 7.152 0.392 1.501) 7.318 11.793 ( -2.291 3.157 8.997) 9.806 11.994 ( 3.141 3.948 2.469) 5.617 12.639 ( -0.966 8.365 -11.105) 13.937 12.906 ( 6.639 -4.990 0.609) 8.327 13.351 ( -2.301 -1.407 -7.134) 7.627 13.426 ( -1.257 -3.990 -8.353) 9.342 13.688 ( 3.319 0.195 7.531) 8.232 13.991 ( -8.413 1.908 -2.810) 9.073 14.157 ( 8.644 -12.602 2.521) 15.489 14.631 ( 2.652 -1.693 -16.926) 17.216 15.171 ( 1.613 5.061 0.842) 5.378 15.421 ( 3.288 1.995 0.808) 3.930 15.809 ( -5.876 7.561 12.551) 15.787 16.354 ( 1.048 -2.819 2.035) 3.632 ======================= Grid point 78 (36/125) ======================= q-point: ( 0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 2.674 15.698 -3.919) 16.399 0.814 ( 10.940 9.871 5.743) 15.815 1.288 ( 3.251 0.667 -2.465) 4.134 1.312 ( -6.105 0.917 3.318) 7.009 1.465 ( 4.015 3.373 -1.584) 5.478 1.480 ( -1.978 -5.833 -3.912) 7.296 1.620 ( -0.230 0.318 0.477) 0.618 1.705 ( 3.747 2.104 -1.434) 4.530 1.834 ( 0.199 0.950 1.597) 1.869 1.959 ( 0.944 2.928 -1.884) 3.608 2.128 ( 6.208 -1.712 4.002) 7.582 2.275 ( 1.028 2.170 1.879) 3.049 2.358 ( 7.518 -2.092 0.193) 7.806 2.601 ( 6.179 -2.781 5.694) 8.851 2.680 ( -1.898 -4.347 4.614) 6.617 2.728 ( 0.425 -11.159 -0.329) 11.172 2.877 ( -4.507 3.093 -2.750) 6.119 2.955 ( 2.476 -2.909 -4.012) 5.540 3.394 ( -3.805 5.027 2.173) 6.669 3.533 ( 0.824 -14.445 -2.676) 14.713 3.752 ( -1.860 1.836 1.210) 2.880 4.223 ( -0.947 2.249 3.139) 3.976 4.502 ( -2.492 7.259 -3.483) 8.428 4.673 ( -1.443 3.126 -0.599) 3.494 5.056 ( -4.301 0.242 2.200) 4.837 5.222 ( 4.804 -4.453 -0.542) 6.572 5.531 ( -4.065 0.633 -3.735) 5.557 5.745 ( -3.953 -0.540 3.772) 5.491 5.908 ( -3.444 -3.240 -1.167) 4.870 6.035 ( 9.816 -8.802 -2.950) 13.511 6.289 ( 10.709 -2.910 -0.224) 11.100 6.702 ( -0.771 -12.901 11.587) 17.357 7.764 ( -1.429 11.516 -3.284) 12.060 7.936 ( -2.242 2.228 0.815) 3.264 8.056 ( -0.869 3.391 -0.292) 3.513 8.236 ( -1.477 -6.513 0.250) 6.683 9.140 ( -13.469 7.090 4.513) 15.876 9.418 ( -4.867 8.978 1.319) 10.297 9.602 ( -19.262 14.530 -9.890) 26.076 9.985 ( -3.773 -0.508 4.984) 6.272 10.176 ( 4.785 -1.915 1.750) 5.443 10.441 ( 1.937 -9.885 -1.607) 10.200 10.644 ( 4.527 7.943 -3.840) 9.916 10.929 ( -7.323 -6.028 7.109) 11.854 11.145 ( -2.433 6.297 3.245) 7.490 11.787 ( 0.204 -3.073 7.998) 8.570 11.855 ( 1.276 -0.241 -1.125) 1.718 12.124 ( 3.195 4.527 1.590) 5.765 12.451 ( -4.799 6.815 -0.713) 8.365 12.934 ( 2.331 -1.960 -8.739) 9.254 13.323 ( -3.512 -4.656 -2.932) 6.528 13.372 ( 5.701 -6.409 -5.280) 10.072 13.760 ( -8.891 0.573 1.429) 9.023 13.892 ( 7.311 0.673 2.378) 7.718 14.228 ( 3.128 -8.247 -7.468) 11.557 14.682 ( 10.318 -2.508 -10.122) 14.670 15.205 ( 1.977 3.325 -1.081) 4.017 15.442 ( -1.423 2.219 1.168) 2.883 15.803 ( -4.712 7.824 11.211) 14.460 16.386 ( 0.108 -2.837 2.605) 3.853 ======================= Grid point 79 (37/125) ======================= q-point: ( 0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 8.288 6.747 -0.821) 10.719 1.074 ( 6.717 4.149 5.339) 9.531 1.194 ( -0.428 2.969 0.033) 3.000 1.401 ( 6.800 -2.770 -3.862) 8.296 1.417 ( 0.307 1.398 0.477) 1.508 1.475 ( -0.966 -2.800 -3.171) 4.339 1.667 ( 0.601 -0.470 4.404) 4.470 1.725 ( -0.470 3.134 -5.392) 6.254 1.888 ( 5.510 0.504 0.597) 5.566 2.011 ( 5.759 5.446 -0.008) 7.926 2.236 ( 1.772 1.968 -0.525) 2.700 2.426 ( 2.391 1.784 0.630) 3.049 2.437 ( 9.178 -1.794 6.192) 11.216 2.589 ( -4.010 -1.292 -3.134) 5.251 2.725 ( -0.780 -8.616 8.217) 11.932 2.776 ( 1.944 -4.214 1.199) 4.793 2.809 ( -0.698 -2.950 -0.728) 3.118 2.951 ( -0.557 -4.020 -4.824) 6.305 3.308 ( -5.477 4.584 -0.303) 7.149 3.566 ( 3.965 -13.060 -0.983) 13.684 3.728 ( -1.229 1.527 1.590) 2.523 4.200 ( -6.132 -0.883 4.893) 7.894 4.442 ( 1.436 8.350 -4.521) 9.603 4.647 ( -1.161 3.462 -0.305) 3.664 4.995 ( -4.272 1.435 1.378) 4.713 5.277 ( 1.142 -6.392 -0.150) 6.495 5.462 ( 2.226 2.120 -7.164) 7.796 5.707 ( 1.033 -1.330 -6.494) 6.708 5.882 ( 0.062 -0.497 3.789) 3.822 6.199 ( 7.639 -7.212 -0.047) 10.506 6.493 ( 8.889 -3.546 1.822) 9.742 6.751 ( -4.055 -9.744 10.923) 15.188 7.720 ( -0.422 10.231 -2.465) 10.532 7.898 ( -2.489 1.598 1.078) 3.148 8.025 ( -0.958 2.091 -1.392) 2.689 8.185 ( -3.628 -5.348 -0.272) 6.468 8.935 ( -10.444 8.801 3.752) 14.164 9.217 ( -12.342 7.073 -2.485) 14.440 9.297 ( -10.514 9.309 2.473) 14.259 9.827 ( -12.926 -4.606 3.431) 14.144 10.315 ( 7.100 -7.665 -0.603) 10.465 10.469 ( 1.114 -3.127 0.036) 3.320 10.707 ( -2.385 -0.687 3.694) 4.451 10.917 ( 2.848 -1.546 0.689) 3.314 11.182 ( 6.211 14.986 2.170) 16.367 11.765 ( -4.608 -0.440 -0.750) 4.689 11.811 ( -7.371 -6.344 7.287) 12.152 12.076 ( -3.291 17.181 0.180) 17.494 12.564 ( 7.386 3.570 3.447) 8.898 12.907 ( 3.191 -0.362 -10.264) 10.754 13.211 ( -3.347 -5.787 -2.638) 7.187 13.470 ( 3.953 -9.765 -0.191) 10.537 13.604 ( -6.378 -1.278 0.553) 6.528 14.015 ( 2.124 -3.658 1.747) 4.577 14.269 ( 9.597 -2.227 -10.844) 14.651 14.768 ( 5.661 -2.010 -6.362) 8.750 15.213 ( 1.445 2.162 -6.085) 6.618 15.415 ( -2.396 2.620 2.624) 4.415 15.812 ( -3.417 8.629 10.144) 13.749 16.395 ( -1.084 -2.425 2.057) 3.360 ======================= Grid point 80 (38/125) ======================= q-point: ( 0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 6.621 -1.123 4.433) 8.047 1.079 ( -3.748 5.447 7.090) 9.695 1.309 ( 5.371 0.569 -1.659) 5.650 1.398 ( 0.389 1.974 -1.917) 2.779 1.484 ( 3.578 -3.037 2.820) 5.476 1.572 ( 9.192 0.314 -0.756) 9.229 1.601 ( -3.572 3.341 -2.063) 5.309 1.754 ( 0.810 3.680 3.721) 5.295 1.955 ( 2.076 0.089 -1.986) 2.875 2.120 ( 2.876 1.759 -2.161) 4.005 2.238 ( -0.004 1.581 0.116) 1.586 2.420 ( 1.060 0.946 0.978) 1.725 2.498 ( -3.118 -0.998 -3.727) 4.961 2.681 ( -4.654 -1.911 6.230) 8.008 2.707 ( 6.226 -10.476 2.029) 12.354 2.755 ( -4.063 -0.366 -0.919) 4.182 2.834 ( -3.060 -9.066 -4.876) 10.739 2.870 ( 2.346 3.170 0.318) 3.956 3.220 ( -2.368 4.318 -1.171) 5.062 3.617 ( 0.218 -7.888 1.457) 8.024 3.774 ( 5.244 -3.284 0.740) 6.232 4.082 ( -8.466 -1.160 4.899) 9.850 4.495 ( 6.545 7.273 -3.807) 10.499 4.615 ( -2.745 4.174 1.092) 5.113 4.920 ( -3.604 1.629 -0.249) 3.963 5.275 ( -0.334 -8.921 -0.351) 8.934 5.500 ( 6.624 4.024 -6.255) 9.960 5.671 ( 3.016 -1.010 -11.616) 12.043 5.959 ( 3.170 0.626 5.213) 6.133 6.297 ( 2.031 -5.590 1.135) 6.055 6.621 ( 1.132 -7.605 5.066) 9.208 6.709 ( -7.673 -5.038 6.571) 11.289 7.723 ( 2.630 8.317 -1.649) 8.877 7.856 ( -3.597 2.668 2.280) 5.026 8.015 ( 1.413 -1.138 -2.350) 2.969 8.123 ( -1.878 -2.841 -0.484) 3.439 8.828 ( -4.107 8.553 3.546) 10.129 9.062 ( -3.285 5.375 1.410) 6.455 9.166 ( -5.517 5.076 6.277) 9.778 9.654 ( -6.774 -6.076 3.017) 9.587 10.348 ( -0.217 -9.940 -5.436) 11.332 10.500 ( 0.063 0.150 2.229) 2.235 10.666 ( -3.162 -1.237 4.366) 5.531 11.016 ( 7.163 -2.635 -0.159) 7.634 11.345 ( 6.132 16.027 2.502) 17.341 11.672 ( -5.140 -2.061 -1.212) 5.669 11.720 ( -7.987 -7.116 8.476) 13.648 12.023 ( -1.734 21.290 0.156) 21.361 12.663 ( 3.270 6.104 -3.491) 7.754 12.888 ( 0.645 3.110 -5.525) 6.373 13.185 ( 2.484 -6.745 -2.390) 7.575 13.415 ( -6.402 -0.473 1.669) 6.633 13.632 ( 5.370 -13.704 0.620) 14.732 14.026 ( -1.344 -7.016 0.774) 7.185 14.379 ( 8.925 0.525 -7.841) 11.892 14.815 ( 4.005 -0.807 -3.344) 5.280 15.162 ( 0.073 1.902 -9.706) 9.891 15.395 ( -1.571 2.698 0.810) 3.226 15.831 ( -3.320 9.132 10.230) 14.109 16.380 ( -1.672 -2.008 0.889) 2.760 ======================= Grid point 81 (39/125) ======================= q-point: (-0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -3.591 5.708 6.075) 9.077 1.152 ( -0.185 -2.467 8.408) 8.764 1.382 ( 1.096 5.518 1.771) 5.898 1.398 ( 1.184 2.149 1.551) 2.903 1.523 ( 0.671 0.361 1.205) 1.426 1.592 ( 1.146 -2.052 1.515) 2.797 1.691 ( 0.298 -2.761 2.027) 3.438 1.813 ( 3.670 3.747 3.445) 6.275 1.935 ( -2.026 0.719 -3.043) 3.726 2.042 ( -5.933 2.285 -4.263) 7.655 2.231 ( -0.997 -0.812 -3.989) 4.191 2.333 ( -11.165 -3.053 -5.948) 13.014 2.490 ( 0.438 -1.924 5.878) 6.200 2.619 ( -0.603 1.808 2.276) 2.969 2.632 ( -3.705 2.868 -0.791) 4.752 2.742 ( -1.410 -6.062 -4.705) 7.802 2.790 ( 0.219 -11.417 -0.341) 11.425 2.956 ( 3.430 -0.058 -1.177) 3.626 3.211 ( 2.224 5.385 -0.445) 5.843 3.623 ( -0.512 -4.340 2.111) 4.854 3.816 ( -3.159 -7.159 0.440) 7.837 4.074 ( 4.802 -1.730 4.757) 6.977 4.535 ( -2.257 9.709 -3.463) 10.552 4.618 ( 4.343 1.630 2.310) 5.182 4.873 ( -0.277 1.356 -2.035) 2.461 5.283 ( 1.962 -9.939 -0.827) 10.165 5.570 ( 3.158 4.755 -2.355) 6.175 5.660 ( 6.438 0.517 -11.409) 13.110 6.040 ( 0.676 -1.025 3.881) 4.071 6.295 ( -3.627 -5.045 2.471) 6.686 6.538 ( -13.576 -8.657 7.127) 17.608 6.651 ( -2.475 -4.266 1.403) 5.128 7.789 ( 5.106 5.154 -1.392) 7.387 7.808 ( -3.018 5.426 3.082) 6.931 8.026 ( 1.266 -2.653 -2.196) 3.670 8.114 ( 1.407 -1.135 -0.496) 1.875 8.827 ( 1.079 9.455 3.447) 10.122 9.115 ( 5.932 5.404 2.644) 8.448 9.235 ( 6.878 1.924 9.655) 12.010 9.635 ( 2.129 -4.056 2.286) 5.119 10.299 ( 1.277 -8.244 -7.712) 11.361 10.450 ( -5.481 2.229 0.598) 5.947 10.690 ( 0.207 -5.587 7.170) 9.092 11.146 ( 3.716 -2.320 2.384) 4.988 11.386 ( -7.897 11.222 7.377) 15.580 11.576 ( -0.475 -2.371 -2.820) 3.715 11.684 ( 1.586 -4.206 3.501) 5.698 12.023 ( 0.834 19.715 -0.744) 19.747 12.662 ( 1.263 6.098 -5.967) 8.625 12.803 ( -4.772 5.233 -6.337) 9.503 13.251 ( 4.487 -2.444 1.077) 5.222 13.358 ( 0.979 -1.876 -1.418) 2.547 13.723 ( 1.785 -14.693 2.888) 15.080 13.988 ( -2.827 -8.349 0.113) 8.815 14.457 ( 3.398 0.822 -3.601) 5.019 14.883 ( 4.761 0.247 -0.024) 4.768 15.071 ( -0.070 1.530 -12.127) 12.223 15.358 ( -1.322 2.835 -3.340) 4.576 15.844 ( -4.275 9.321 10.744) 14.852 16.351 ( -1.474 -1.817 -0.196) 2.348 ======================= Grid point 82 (40/125) ======================= q-point: (-0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -5.545 7.978 3.556) 10.346 1.079 ( -12.114 7.129 4.618) 14.795 1.369 ( -3.603 4.950 6.754) 9.115 1.467 ( -1.080 -0.032 2.805) 3.006 1.535 ( -3.243 -1.222 0.367) 3.485 1.638 ( 1.503 1.493 2.774) 3.490 1.663 ( -0.443 -5.381 3.867) 6.641 1.796 ( -8.085 4.907 -1.710) 9.611 1.867 ( -4.030 -1.420 -2.543) 4.972 1.961 ( 1.687 3.311 -0.904) 3.825 2.092 ( -3.383 -6.800 -3.146) 8.220 2.159 ( -3.326 -0.674 -5.513) 6.474 2.455 ( -7.769 -2.540 -4.511) 9.336 2.522 ( -2.820 -3.933 6.914) 8.440 2.640 ( -5.415 -2.051 -2.068) 6.149 2.744 ( 2.145 -5.623 -4.109) 7.288 2.851 ( 8.049 0.386 6.101) 10.107 2.977 ( 2.083 -0.687 -3.715) 4.314 3.268 ( 3.216 4.326 -0.382) 5.404 3.627 ( -1.637 -6.454 2.865) 7.249 3.753 ( -1.584 -4.262 -1.065) 4.670 4.223 ( 4.080 -3.198 5.201) 7.343 4.460 ( -0.895 9.468 -3.865) 10.266 4.717 ( 3.790 3.879 0.892) 5.496 4.878 ( 2.823 -0.650 -2.184) 3.628 5.332 ( 2.731 -9.397 0.544) 9.801 5.582 ( 1.649 5.003 -3.949) 6.584 5.713 ( 3.479 -0.235 -3.026) 4.617 6.029 ( -4.459 -3.475 2.699) 6.265 6.217 ( -6.927 -4.824 4.927) 9.774 6.327 ( -9.468 -5.927 -1.537) 11.275 6.595 ( -5.628 -8.824 5.173) 11.674 7.795 ( -0.173 7.892 1.548) 8.045 7.881 ( 4.604 2.499 0.210) 5.243 8.021 ( 0.272 1.974 -2.151) 2.932 8.164 ( 3.580 -3.683 -0.396) 5.152 8.931 ( 6.808 10.378 3.910) 13.013 9.273 ( 8.058 6.296 1.559) 10.344 9.553 ( 16.609 1.553 8.941) 18.927 9.733 ( 6.238 -1.069 -0.268) 6.334 10.231 ( -3.761 -2.575 -6.024) 7.554 10.411 ( 2.948 -7.805 1.292) 8.442 10.755 ( 0.015 -6.958 7.667) 10.353 11.144 ( -7.428 15.968 1.669) 17.690 11.250 ( -7.552 -8.826 8.905) 14.637 11.583 ( -1.050 -1.866 3.058) 3.733 11.840 ( 8.111 -0.835 1.884) 8.368 12.050 ( 5.842 13.521 -3.657) 15.176 12.584 ( -10.735 4.921 5.179) 12.895 12.685 ( 6.996 7.150 -19.683) 22.079 13.325 ( 1.382 2.406 2.975) 4.068 13.452 ( 10.903 -4.050 -4.910) 12.624 13.728 ( -5.229 -12.076 8.052) 15.428 13.922 ( -3.055 -7.842 -3.642) 9.170 14.409 ( -6.644 -0.164 -1.808) 6.888 14.946 ( 1.440 -5.630 -9.507) 11.142 15.030 ( 5.503 6.548 -2.150) 8.819 15.300 ( -0.217 3.443 -5.517) 6.507 15.840 ( -5.451 9.172 11.384) 15.602 16.327 ( -0.625 -1.948 -0.470) 2.099 ======================= Grid point 83 (41/125) ======================= q-point: (-0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -15.057 8.644 5.892) 18.335 0.908 ( -6.782 15.451 0.258) 16.876 1.315 ( -5.891 9.343 1.014) 11.092 1.376 ( -5.240 7.220 -0.338) 8.927 1.463 ( -3.826 -1.059 -0.516) 4.004 1.600 ( -4.971 0.879 7.702) 9.209 1.699 ( -0.534 -0.689 -4.084) 4.176 1.732 ( -2.305 -8.864 -0.903) 9.204 1.813 ( 3.319 3.740 5.222) 7.230 1.994 ( -1.721 0.470 -5.040) 5.346 2.046 ( 2.825 -2.015 2.810) 4.466 2.143 ( 2.760 -7.975 -3.424) 9.107 2.266 ( -7.659 -3.918 -2.864) 9.067 2.483 ( -3.985 -0.101 1.868) 4.402 2.574 ( -1.828 -3.946 5.599) 7.090 2.731 ( 0.705 -5.998 -3.716) 7.091 2.944 ( -0.133 -0.425 -3.001) 3.034 3.047 ( 4.261 2.222 -0.371) 4.820 3.329 ( 2.819 5.163 3.065) 6.633 3.603 ( -2.527 -12.296 1.704) 12.668 3.750 ( 1.588 1.296 -1.300) 2.427 4.253 ( -3.439 0.773 3.719) 5.125 4.485 ( 5.540 7.207 -4.005) 9.933 4.748 ( -0.538 4.855 -0.548) 4.915 4.960 ( 6.769 -2.500 -0.564) 7.238 5.328 ( -7.063 -5.229 3.854) 9.596 5.598 ( 3.743 0.245 -2.572) 4.548 5.721 ( -0.274 -1.120 -0.016) 1.153 5.956 ( -4.291 -4.872 2.776) 7.061 6.131 ( -6.219 -1.090 2.960) 6.973 6.189 ( -2.197 -8.765 -5.552) 10.605 6.555 ( -3.457 -13.545 8.940) 16.594 7.813 ( 1.184 10.340 -0.672) 10.429 7.955 ( 1.831 -0.352 1.924) 2.679 8.014 ( 1.478 6.921 -2.585) 7.534 8.218 ( 1.991 -5.641 0.120) 5.983 9.131 ( 10.141 9.352 4.041) 14.374 9.403 ( 3.659 9.905 0.267) 10.563 9.811 ( 5.151 3.307 0.352) 6.131 9.921 ( 12.406 -1.146 1.085) 12.506 10.112 ( -3.804 -0.343 -3.645) 5.280 10.520 ( 2.459 -20.956 1.523) 21.155 10.842 ( 5.631 -5.417 3.506) 8.564 10.967 ( -8.492 18.508 3.018) 20.586 11.245 ( -4.278 -13.678 9.058) 16.955 11.578 ( -1.534 4.919 5.641) 7.640 11.924 ( -2.056 -0.268 4.428) 4.890 12.002 ( -9.079 8.401 -8.521) 15.020 12.584 ( 12.231 3.834 -6.095) 14.194 12.728 ( 8.070 5.455 -4.111) 10.573 13.369 ( 4.122 -1.420 -5.283) 6.850 13.572 ( 0.889 -2.756 -4.626) 5.458 13.685 ( -9.295 -4.088 9.202) 13.704 13.873 ( 7.330 -4.295 0.341) 8.503 14.225 ( -8.713 -4.301 -3.937) 10.484 14.812 ( -3.837 -5.110 -16.410) 17.610 15.125 ( 2.883 6.136 1.198) 6.885 15.321 ( 5.527 3.257 -0.855) 6.472 15.824 ( -6.062 8.473 12.236) 16.070 16.326 ( 0.560 -2.317 0.522) 2.440 ======================= Grid point 84 (42/125) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -2.270 10.959 4.779) 12.169 1.079 ( -2.330 7.975 -5.905) 10.193 1.296 ( -1.203 1.488 -3.394) 3.896 1.326 ( -1.467 -2.483 1.007) 3.054 1.462 ( -0.986 -2.501 0.136) 2.692 1.557 ( -3.765 4.160 -2.238) 6.041 1.607 ( 0.622 -3.159 5.345) 6.240 1.657 ( 1.194 -1.510 -3.906) 4.355 1.838 ( 1.141 -0.584 0.531) 1.388 1.980 ( 0.139 -3.382 -1.208) 3.593 2.019 ( -2.899 -0.501 2.323) 3.749 2.167 ( 3.126 -0.047 -0.600) 3.183 2.256 ( 6.641 7.044 2.327) 9.957 2.427 ( -1.225 -6.399 6.962) 9.535 2.575 ( -0.350 -7.040 -5.146) 8.727 2.619 ( 1.336 3.994 3.649) 5.572 2.903 ( 0.612 -0.502 -3.525) 3.613 3.141 ( -1.247 3.766 0.778) 4.043 3.294 ( -2.121 -7.232 -3.553) 8.333 3.506 ( 0.195 4.556 3.561) 5.786 3.824 ( -1.338 3.583 0.876) 3.923 4.239 ( -1.109 -1.857 2.540) 3.336 4.663 ( 2.228 5.565 -4.160) 7.296 4.761 ( -2.128 1.272 -2.432) 3.473 5.048 ( 6.263 -2.333 -0.546) 6.706 5.103 ( -5.346 -4.413 2.130) 7.252 5.629 ( -0.396 -1.581 -6.268) 6.476 5.663 ( 7.380 -2.519 -0.118) 7.799 5.887 ( -9.616 -1.176 4.420) 10.649 5.932 ( -4.809 -4.332 -2.250) 6.852 6.081 ( 5.007 -0.569 2.000) 5.422 6.357 ( 0.334 -10.725 12.079) 16.157 7.963 ( -0.409 0.953 0.915) 1.383 7.999 ( 0.576 4.987 -2.529) 5.621 8.128 ( 2.877 -1.404 -2.232) 3.903 8.173 ( -1.107 3.241 -1.576) 3.770 9.376 ( -1.225 3.223 4.054) 5.322 9.617 ( -2.418 7.996 1.160) 8.434 9.902 ( 3.298 -5.575 -1.053) 6.563 10.078 ( -3.296 1.485 -1.110) 3.782 10.143 ( 4.727 5.172 -0.831) 7.056 10.217 ( 1.597 -3.566 1.063) 4.049 10.825 ( 0.229 -7.155 7.367) 10.272 10.891 ( -11.848 -3.632 0.655) 12.410 11.195 ( -0.425 7.399 5.084) 8.987 11.618 ( -2.140 -4.985 3.304) 6.351 11.895 ( 1.587 7.637 8.587) 11.601 12.095 ( -2.222 5.118 -2.528) 6.125 12.768 ( -1.694 4.383 -9.029) 10.179 12.832 ( 7.298 -2.965 -2.103) 8.153 13.315 ( 1.651 -2.587 -9.056) 9.562 13.368 ( -5.612 -1.307 -9.391) 11.018 13.685 ( 6.248 -0.375 6.164) 8.785 13.904 ( -0.719 -7.948 0.530) 7.998 14.108 ( 0.901 4.781 -3.002) 5.716 14.533 ( 1.740 -7.167 -12.006) 14.090 15.282 ( 0.776 5.629 1.481) 5.872 15.442 ( 2.447 0.217 2.101) 3.232 15.962 ( -4.002 7.453 7.471) 11.286 16.287 ( 0.103 -3.976 2.722) 4.820 ======================= Grid point 85 (43/125) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.905 9.072 1.156) 9.596 1.020 ( 2.967 7.821 -2.969) 8.876 1.275 ( 0.013 1.150 -3.099) 3.306 1.317 ( 0.744 -0.484 0.465) 1.002 1.426 ( -1.828 0.901 0.518) 2.102 1.541 ( 2.484 2.878 -0.174) 3.805 1.611 ( 0.860 1.151 -3.565) 3.844 1.690 ( 2.906 -2.503 1.887) 4.274 1.872 ( 0.407 0.330 -0.388) 0.652 1.985 ( 2.586 -0.834 -1.193) 2.968 2.053 ( 4.394 -4.055 4.046) 7.220 2.265 ( 4.271 -3.881 2.761) 6.398 2.384 ( 5.442 3.811 -0.850) 6.698 2.470 ( -0.681 -8.698 6.010) 10.595 2.523 ( -0.231 -7.030 -4.694) 8.457 2.708 ( 4.579 4.033 4.322) 7.478 2.903 ( 1.817 -1.445 -3.488) 4.190 3.083 ( -5.679 14.706 -0.800) 15.785 3.254 ( 1.972 -12.979 -1.483) 13.212 3.489 ( -3.751 3.840 0.986) 5.458 3.789 ( -2.940 2.684 1.858) 4.393 4.223 ( -3.375 -2.551 3.681) 5.607 4.625 ( -2.763 4.873 -2.657) 6.200 4.723 ( 0.835 1.985 -3.810) 4.376 5.045 ( -2.211 -1.278 1.192) 2.819 5.123 ( 1.076 -5.705 1.295) 5.949 5.566 ( -0.347 2.851 -8.025) 8.524 5.720 ( -2.943 -1.455 0.458) 3.315 5.849 ( -2.994 -2.471 3.387) 5.152 5.891 ( 11.643 -5.950 -5.389) 14.142 6.257 ( 8.981 -0.395 4.599) 10.098 6.476 ( 1.205 -9.640 12.577) 15.892 7.942 ( -1.470 4.046 -1.570) 4.582 7.970 ( -1.757 4.066 -1.102) 4.564 8.111 ( -3.658 -2.075 0.152) 4.208 8.143 ( 0.082 0.493 -3.525) 3.560 9.273 ( -10.391 6.684 2.784) 12.665 9.571 ( -5.453 5.740 2.038) 8.175 9.775 ( -20.029 3.455 -6.167) 21.239 9.874 ( -6.396 -9.057 2.329) 11.330 10.183 ( -2.124 2.830 0.688) 3.605 10.321 ( 4.032 -2.185 4.062) 6.126 10.739 ( -2.551 1.657 2.658) 4.039 10.849 ( -2.380 -2.622 6.328) 7.252 11.310 ( 7.900 9.025 2.855) 12.329 11.705 ( 3.754 -4.712 3.298) 6.869 11.888 ( -6.347 3.926 2.273) 7.802 12.174 ( 9.883 0.741 3.049) 10.369 12.574 ( -8.214 5.413 -2.977) 10.278 12.902 ( 4.112 -1.571 -8.011) 9.140 13.240 ( -2.770 -3.802 -8.331) 9.567 13.280 ( 1.925 -3.037 -5.457) 6.535 13.769 ( -8.523 0.133 0.807) 8.562 13.852 ( 4.162 -4.046 2.995) 6.532 14.169 ( 7.978 2.237 -6.768) 10.698 14.580 ( 10.083 -7.228 -9.905) 15.875 15.299 ( -0.056 5.453 0.972) 5.539 15.470 ( -0.977 0.493 1.856) 2.155 15.957 ( -2.725 7.522 7.238) 10.789 16.312 ( -0.175 -4.534 3.386) 5.662 ======================= Grid point 86 (44/125) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.119 9.069 -1.662) 9.460 1.151 ( 5.359 2.200 2.685) 6.385 1.245 ( -0.133 3.742 0.849) 3.840 1.381 ( 4.426 0.593 0.779) 4.533 1.428 ( 1.641 3.289 -2.999) 4.744 1.558 ( 2.619 7.198 -2.685) 8.117 1.639 ( 1.197 -1.116 2.870) 3.304 1.798 ( 6.664 -2.345 0.763) 7.106 1.852 ( -0.844 2.049 -1.567) 2.714 2.062 ( 5.867 -0.932 -1.368) 6.096 2.175 ( 3.416 -6.992 2.727) 8.246 2.353 ( 2.025 -7.264 4.366) 8.714 2.432 ( 1.470 -8.383 -6.676) 10.817 2.457 ( 1.037 2.936 -1.455) 3.436 2.545 ( 1.331 -8.510 4.715) 9.820 2.819 ( 2.692 0.960 -0.473) 2.897 2.885 ( -2.102 1.695 -0.337) 2.721 2.989 ( -1.343 13.037 0.272) 13.109 3.324 ( 4.340 -8.685 0.126) 9.710 3.397 ( -5.008 3.331 -1.145) 6.122 3.764 ( -1.493 2.677 3.351) 4.542 4.161 ( -7.038 -3.283 4.806) 9.133 4.561 ( -1.722 4.028 -0.620) 4.424 4.726 ( 2.818 3.877 -4.557) 6.613 5.009 ( -2.667 -0.189 -0.200) 2.681 5.115 ( -2.860 -9.420 1.772) 10.003 5.523 ( 3.918 3.788 -9.052) 10.566 5.674 ( 1.307 -1.812 -7.777) 8.091 5.881 ( 2.607 0.650 4.430) 5.181 6.077 ( 8.471 -5.256 0.734) 9.996 6.436 ( 4.502 -1.735 5.434) 7.266 6.586 ( 0.509 -7.059 10.047) 12.290 7.894 ( -1.034 6.535 -3.467) 7.470 7.927 ( -2.167 1.904 0.349) 2.905 8.035 ( -3.669 -1.959 -0.312) 4.171 8.095 ( -2.325 -2.693 -2.426) 4.306 9.096 ( -8.921 8.119 1.375) 12.141 9.356 ( -15.885 6.339 -1.967) 17.216 9.458 ( -9.428 6.164 2.445) 11.526 9.695 ( -13.101 -8.087 2.862) 15.660 10.168 ( 0.837 -4.844 -0.153) 4.918 10.382 ( -0.287 -5.522 1.785) 5.811 10.737 ( -3.484 2.056 7.576) 8.589 10.868 ( 0.374 -2.774 4.465) 5.270 11.543 ( 13.490 18.282 1.449) 22.767 11.711 ( -5.485 -2.814 4.493) 7.628 11.745 ( -8.194 -0.138 -1.441) 8.321 12.365 ( 4.383 9.954 1.817) 11.026 12.576 ( 9.559 -1.626 0.815) 9.731 12.891 ( 3.435 -0.612 -10.548) 11.110 13.122 ( -2.807 -3.074 -4.838) 6.382 13.287 ( 1.885 -8.367 -3.071) 9.110 13.615 ( -8.590 2.104 1.903) 9.046 13.894 ( -0.691 -7.012 1.089) 7.130 14.299 ( 10.584 4.034 -7.261) 13.455 14.680 ( 7.472 -6.400 -7.852) 12.587 15.290 ( -0.274 5.043 -2.863) 5.805 15.453 ( -1.612 1.011 1.351) 2.334 15.973 ( -1.989 7.601 7.545) 10.893 16.328 ( -1.077 -4.339 3.359) 5.591 ======================= Grid point 87 (45/125) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.454 5.849 2.280) 7.165 1.187 ( -3.564 5.153 4.160) 7.520 1.280 ( 2.495 -1.958 -2.098) 3.803 1.450 ( 3.200 4.380 4.333) 6.943 1.491 ( 5.306 2.699 -0.402) 5.966 1.638 ( 4.293 5.404 -0.840) 6.953 1.655 ( -0.543 1.594 0.862) 1.892 1.829 ( -0.906 -0.335 0.426) 1.056 1.915 ( 3.930 0.607 0.783) 4.053 2.127 ( 1.918 -2.846 -3.328) 4.781 2.219 ( -0.181 -3.478 -0.019) 3.482 2.364 ( -1.179 -5.382 0.356) 5.521 2.377 ( -1.874 -8.424 -2.885) 9.100 2.539 ( 5.055 -4.807 0.690) 7.009 2.614 ( 3.346 -4.951 1.671) 6.205 2.739 ( -6.272 -0.183 -1.759) 6.517 2.864 ( -1.442 6.555 -0.924) 6.775 3.022 ( 1.533 9.437 0.216) 9.563 3.295 ( -1.554 2.422 -2.345) 3.712 3.401 ( 1.454 -8.223 1.110) 8.424 3.793 ( 1.214 2.710 2.888) 4.142 4.048 ( -7.817 -1.999 5.490) 9.759 4.563 ( 1.005 1.340 2.231) 2.790 4.746 ( 2.582 6.783 -4.438) 8.507 4.941 ( -2.582 0.171 -2.824) 3.830 5.067 ( -2.611 -11.385 0.860) 11.712 5.568 ( 7.911 2.754 -9.264) 12.490 5.650 ( 3.729 -1.006 -10.011) 10.730 5.979 ( 2.469 1.742 5.817) 6.555 6.197 ( 1.480 -4.722 4.675) 6.808 6.492 ( -3.990 -3.657 7.550) 9.290 6.632 ( -1.739 -4.470 3.260) 5.799 7.861 ( 0.431 5.294 -2.876) 6.040 7.901 ( -0.686 0.520 -0.131) 0.871 7.985 ( -1.401 -0.164 -0.628) 1.544 8.045 ( -0.557 -4.506 -0.686) 4.592 8.990 ( -2.881 7.586 1.321) 8.222 9.163 ( -3.551 4.915 0.332) 6.073 9.310 ( -7.357 7.941 2.459) 11.101 9.537 ( -5.511 -4.664 6.008) 9.393 10.171 ( -0.039 -7.527 -2.175) 7.835 10.374 ( -1.648 -9.458 3.648) 10.270 10.715 ( -4.843 3.067 5.848) 8.189 10.938 ( 2.667 -4.885 4.112) 6.920 11.575 ( -6.180 1.021 1.076) 6.356 11.628 ( -4.573 -2.782 0.088) 5.353 11.784 ( 7.094 19.625 1.654) 20.933 12.394 ( -0.898 15.007 -1.193) 15.081 12.734 ( 5.757 0.053 -5.473) 7.944 12.901 ( 4.518 -1.105 -6.221) 7.767 13.086 ( 1.347 -3.112 -1.030) 3.544 13.322 ( 5.196 -12.127 -2.137) 13.365 13.482 ( -7.376 2.515 3.531) 8.556 13.869 ( -3.068 -8.220 1.898) 8.977 14.425 ( 7.944 3.639 -5.446) 10.296 14.748 ( 5.716 -5.394 -5.203) 9.426 15.239 ( -0.988 5.354 -6.650) 8.595 15.433 ( -1.092 0.850 -0.691) 1.547 15.996 ( -2.275 7.595 8.129) 11.355 16.324 ( -1.858 -3.627 2.778) 4.932 ======================= Grid point 88 (46/125) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.574 4.296 2.638) 5.281 1.152 ( 2.000 2.763 6.002) 6.904 1.322 ( 2.796 -3.922 0.973) 4.914 1.528 ( -0.370 -1.365 2.852) 3.183 1.547 ( -2.964 6.111 0.789) 6.838 1.613 ( -2.773 3.409 3.586) 5.672 1.681 ( 1.297 2.504 -0.498) 2.864 1.832 ( -0.058 -4.090 -0.732) 4.155 1.946 ( -1.764 4.612 3.956) 6.327 2.068 ( -4.744 -1.753 -6.909) 8.562 2.175 ( -0.374 -5.614 -2.135) 6.018 2.253 ( -6.584 -2.456 -4.689) 8.449 2.409 ( -0.354 -4.938 5.441) 7.356 2.582 ( -4.206 -2.784 -2.343) 5.561 2.599 ( 0.955 -6.010 -0.951) 6.159 2.742 ( 3.208 3.221 0.745) 4.606 2.827 ( 1.676 9.508 -1.356) 9.749 2.995 ( -1.973 5.572 -2.302) 6.343 3.315 ( 3.487 3.597 -0.632) 5.050 3.405 ( -1.740 -12.521 1.065) 12.686 3.787 ( -3.594 1.761 1.836) 4.403 4.043 ( 2.977 -1.402 5.212) 6.164 4.609 ( -0.474 -0.113 5.521) 5.542 4.740 ( 2.274 8.407 -6.556) 10.901 4.897 ( 1.250 0.608 -5.123) 5.309 5.050 ( 0.595 -13.108 0.653) 13.138 5.640 ( 4.711 2.128 -6.584) 8.371 5.661 ( 7.053 -0.172 -10.781) 12.884 6.034 ( -2.504 0.757 6.814) 7.299 6.199 ( -6.581 -4.584 8.205) 11.473 6.418 ( -8.700 -2.531 5.408) 10.552 6.579 ( -4.969 -4.241 0.062) 6.533 7.868 ( 2.231 2.315 -1.939) 3.754 7.907 ( 1.691 2.839 -0.438) 3.333 7.963 ( 0.044 -1.886 -0.726) 2.021 8.075 ( 3.347 -2.017 -0.128) 3.910 9.006 ( 3.133 7.922 1.052) 8.584 9.210 ( 6.406 4.034 2.141) 7.867 9.288 ( 4.276 3.321 3.035) 6.207 9.580 ( 3.737 -1.053 6.331) 7.427 10.156 ( 1.655 -5.946 -3.703) 7.197 10.368 ( -4.243 -9.231 5.696) 11.647 10.658 ( -4.041 1.946 3.523) 5.703 10.990 ( -2.356 -9.537 6.285) 11.662 11.531 ( 0.680 0.062 0.889) 1.121 11.605 ( 4.305 0.918 -2.567) 5.096 11.817 ( -5.270 20.798 3.089) 21.676 12.335 ( -2.250 11.587 -3.438) 12.294 12.741 ( 0.327 1.022 -6.404) 6.494 12.845 ( -4.503 -1.796 -5.862) 7.606 13.195 ( 11.302 -1.941 -2.998) 11.853 13.390 ( -3.257 4.442 3.868) 6.730 13.452 ( 5.022 -11.566 1.285) 12.674 13.814 ( -4.003 -8.881 1.651) 9.880 14.504 ( 2.769 3.488 -1.922) 4.850 14.817 ( 4.485 -5.573 -2.839) 7.696 15.160 ( -0.487 6.211 -7.915) 10.073 15.393 ( -1.132 0.401 -3.989) 4.166 16.011 ( -3.271 7.547 8.464) 11.803 16.305 ( -2.127 -2.940 2.014) 4.150 ======================= Grid point 89 (47/125) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -3.911 3.953 1.728) 5.823 1.252 ( -0.664 7.445 6.226) 9.728 1.383 ( 1.605 -4.533 0.473) 4.832 1.436 ( -6.086 1.190 4.260) 7.524 1.493 ( -4.356 -2.832 0.949) 5.281 1.548 ( -2.940 -3.909 -0.701) 4.941 1.718 ( -5.444 -3.994 -0.101) 6.753 1.756 ( -2.126 2.991 2.356) 4.361 1.896 ( -3.549 1.117 -4.037) 5.490 1.987 ( 0.063 0.745 1.610) 1.775 2.096 ( -6.277 0.509 0.295) 6.305 2.154 ( -0.026 2.222 -4.763) 5.255 2.389 ( -4.065 -4.198 -0.379) 5.856 2.476 ( -6.181 0.515 1.792) 6.456 2.616 ( 1.601 -6.213 -2.578) 6.914 2.668 ( -4.519 4.838 -3.011) 7.273 2.951 ( 1.116 -1.642 -1.862) 2.722 3.007 ( 8.418 12.576 3.832) 15.611 3.334 ( -1.770 -7.275 -0.916) 7.543 3.397 ( 1.401 -3.746 0.973) 4.116 3.769 ( 0.484 2.811 2.529) 3.812 4.159 ( 3.873 -3.671 3.790) 6.545 4.612 ( -0.640 5.245 0.622) 5.321 4.779 ( 5.934 3.025 -3.906) 7.721 4.881 ( 0.809 0.746 -4.366) 4.503 5.102 ( 3.740 -13.377 0.784) 13.912 5.643 ( 1.654 1.376 -7.087) 7.407 5.706 ( 3.134 -0.704 -5.262) 6.165 5.994 ( -6.981 0.105 7.100) 9.958 6.113 ( -7.002 -4.428 6.482) 10.519 6.277 ( -8.930 -0.046 2.020) 9.156 6.450 ( -9.415 -6.416 2.785) 11.728 7.907 ( 2.596 0.180 -0.531) 2.656 7.947 ( 2.564 6.827 -0.675) 7.323 7.991 ( 3.934 -3.660 -1.594) 5.605 8.143 ( 3.717 0.721 -0.963) 3.907 9.112 ( 6.793 7.853 1.480) 10.488 9.390 ( 10.013 6.241 2.974) 12.167 9.530 ( 17.508 -4.308 0.886) 18.052 9.722 ( 5.864 -1.143 3.194) 6.774 10.170 ( 1.730 -2.716 -3.742) 4.937 10.288 ( -6.535 -4.031 3.733) 8.538 10.654 ( -0.222 -2.330 5.225) 5.725 10.974 ( -3.802 -11.867 7.758) 14.678 11.563 ( -7.649 8.198 4.899) 12.236 11.627 ( 0.547 15.410 -1.985) 15.547 11.792 ( 5.307 -2.277 2.191) 6.177 12.285 ( -1.362 9.080 -1.775) 9.351 12.595 ( -9.214 -3.362 1.603) 9.938 12.791 ( 6.643 2.576 -14.990) 16.597 13.341 ( 4.147 -0.678 -8.363) 9.360 13.431 ( 7.342 2.261 5.371) 9.374 13.540 ( 1.657 -6.614 5.204) 8.577 13.749 ( -2.844 -9.123 -2.267) 9.822 14.457 ( -7.485 4.311 -0.315) 8.644 14.821 ( -1.218 -6.826 -6.348) 9.401 15.152 ( 4.915 5.888 -2.830) 8.175 15.342 ( 0.338 0.682 -5.025) 5.082 16.006 ( -4.313 7.522 8.373) 12.054 16.282 ( -1.676 -2.719 1.549) 3.549 ======================= Grid point 90 (48/125) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -8.165 7.801 3.472) 11.814 1.183 ( -4.121 10.828 -4.476) 12.420 1.360 ( -2.117 -3.705 -0.886) 4.358 1.376 ( -6.211 1.282 1.773) 6.585 1.473 ( 0.288 -4.608 4.063) 6.150 1.555 ( -0.272 -6.397 2.147) 6.753 1.609 ( -1.377 -4.903 3.665) 6.275 1.694 ( -3.462 6.301 -6.662) 9.802 1.863 ( -1.394 -1.378 1.632) 2.551 1.989 ( -0.712 -3.019 -0.724) 3.185 2.025 ( -1.443 0.919 1.878) 2.540 2.146 ( 2.512 7.081 0.107) 7.514 2.249 ( -6.379 1.973 -5.721) 8.793 2.416 ( -3.532 -4.690 6.430) 8.708 2.599 ( -1.809 4.523 1.235) 5.025 2.612 ( 0.827 -5.611 -4.273) 7.101 2.932 ( -0.501 -0.804 -2.771) 2.928 3.141 ( 1.392 4.264 1.557) 4.748 3.322 ( 0.875 -9.699 -0.112) 9.739 3.444 ( 2.556 4.511 2.151) 5.613 3.813 ( 1.274 3.916 1.811) 4.499 4.225 ( 0.560 -3.493 2.767) 4.492 4.630 ( 3.605 6.801 -3.544) 8.474 4.819 ( -1.208 2.321 -2.205) 3.422 4.917 ( 7.646 -1.817 -2.559) 8.265 5.160 ( -0.551 -10.896 2.246) 11.138 5.597 ( 0.233 0.159 -3.795) 3.805 5.688 ( -0.666 -2.759 -4.645) 5.443 5.943 ( -3.577 2.362 7.826) 8.923 6.048 ( -4.041 -3.910 -1.462) 5.810 6.123 ( -8.554 -0.644 1.932) 8.793 6.319 ( -6.827 -10.428 8.659) 15.176 7.947 ( 1.307 -0.210 0.803) 1.549 7.986 ( 2.400 5.335 -1.750) 6.106 8.067 ( 5.095 -0.549 -2.324) 5.627 8.183 ( 1.421 2.273 -1.461) 3.053 9.270 ( 7.234 5.493 2.934) 9.546 9.594 ( 6.817 9.368 1.995) 11.756 9.789 ( 6.554 -7.785 -1.272) 10.256 9.914 ( 14.952 -0.381 1.259) 15.010 10.127 ( -0.665 1.221 -4.491) 4.701 10.245 ( -1.809 -4.509 1.571) 5.106 10.721 ( 2.800 -4.598 5.862) 7.959 10.985 ( -3.155 -11.941 8.666) 15.087 11.326 ( -15.098 14.556 4.909) 21.538 11.701 ( 0.296 7.297 1.206) 7.402 11.827 ( -3.647 -4.382 4.003) 6.966 12.191 ( -6.216 6.363 -0.123) 8.896 12.622 ( 11.293 0.793 -2.287) 11.550 12.813 ( 5.751 2.721 -10.548) 12.318 13.335 ( 3.031 -1.336 -8.372) 9.004 13.529 ( 1.403 -0.709 -3.780) 4.094 13.615 ( -6.353 -3.907 5.485) 9.258 13.740 ( 10.941 -7.345 0.197) 13.179 14.253 ( -10.607 5.241 -2.588) 12.111 14.682 ( -5.457 -7.524 -10.203) 13.802 15.239 ( 3.394 5.093 0.516) 6.142 15.361 ( 4.239 0.907 -0.706) 4.392 15.985 ( -4.700 7.484 7.956) 11.891 16.272 ( -0.638 -3.137 1.845) 3.695 ======================= Grid point 91 (49/125) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.060 4.078 0.130) 4.215 1.104 ( -2.112 -1.375 -2.489) 3.542 1.286 ( 0.444 0.763 -3.822) 3.923 1.334 ( -0.217 -1.945 -0.802) 2.115 1.449 ( -0.722 2.616 1.634) 3.168 1.536 ( -1.708 -5.066 3.397) 6.334 1.624 ( 1.849 5.515 4.686) 7.469 1.721 ( -1.620 3.022 -1.864) 3.903 1.768 ( 2.756 -2.109 -0.912) 3.588 1.880 ( -0.488 -6.608 -0.115) 6.627 2.084 ( -3.799 7.146 2.631) 8.510 2.220 ( 0.544 4.096 -3.084) 5.156 2.263 ( -1.299 -8.360 5.287) 9.977 2.328 ( 1.910 -3.819 -4.059) 5.892 2.541 ( 1.262 6.199 -1.571) 6.518 2.663 ( 2.004 -2.407 -0.261) 3.143 2.902 ( 0.794 1.498 -1.686) 2.391 2.995 ( 0.978 -8.318 2.054) 8.623 3.437 ( -1.531 9.963 -2.121) 10.301 3.548 ( -0.273 -1.178 0.713) 1.404 3.935 ( -1.758 8.567 2.349) 9.056 4.130 ( -0.963 -9.161 2.539) 9.555 4.743 ( 0.356 2.513 -3.611) 4.414 4.769 ( -1.628 -0.350 -3.190) 3.599 5.013 ( 3.593 -0.917 0.113) 3.710 5.027 ( 1.093 -2.508 0.662) 2.815 5.597 ( 3.620 0.416 -5.247) 6.388 5.635 ( 7.354 -2.370 -5.239) 9.335 5.855 ( -9.290 0.161 -0.213) 9.294 5.888 ( -10.172 -2.125 4.086) 11.166 6.108 ( 3.565 3.182 7.304) 8.728 6.197 ( 1.301 -5.938 10.493) 12.126 7.973 ( 0.443 0.941 0.754) 1.285 8.006 ( 0.996 -2.253 -0.151) 2.467 8.168 ( 0.839 3.913 -4.092) 5.723 8.213 ( 0.180 -0.174 -3.623) 3.631 9.454 ( -0.504 5.402 3.535) 6.475 9.595 ( -1.388 -8.145 2.521) 8.639 9.908 ( -0.746 6.821 -2.178) 7.199 10.037 ( -2.650 -5.008 -2.304) 6.117 10.228 ( 5.830 2.679 1.900) 6.692 10.236 ( 3.600 1.717 1.105) 4.139 10.742 ( -1.235 -0.362 7.735) 7.841 10.794 ( -3.622 -4.846 5.695) 8.309 11.346 ( -4.685 7.386 4.857) 10.005 11.491 ( -4.464 -7.357 4.760) 9.834 12.063 ( 2.024 7.838 1.965) 8.331 12.150 ( -3.163 -0.458 -0.903) 3.321 12.791 ( 0.523 -0.006 -1.984) 2.052 12.809 ( 2.799 -0.730 -5.449) 6.169 13.292 ( 0.449 0.946 -10.392) 10.444 13.336 ( -3.428 -2.561 -10.053) 10.926 13.699 ( 6.017 2.530 3.311) 7.319 13.779 ( 3.476 -5.161 1.836) 6.488 14.229 ( -0.905 7.132 -6.025) 9.380 14.379 ( 0.185 -8.046 -8.596) 11.776 15.376 ( 1.258 3.782 1.924) 4.426 15.429 ( 1.947 -1.622 2.233) 3.377 16.094 ( -2.589 5.999 4.900) 8.167 16.200 ( -1.184 -4.873 3.525) 6.130 ======================= Grid point 92 (50/125) ======================= q-point: ( 0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.867 1.612 -1.997) 4.641 1.092 ( 1.520 1.959 1.128) 2.724 1.317 ( 4.116 1.871 -1.007) 4.632 1.341 ( 0.151 2.124 -0.489) 2.185 1.452 ( 0.550 1.605 3.662) 4.036 1.530 ( -0.022 -4.109 3.246) 5.237 1.678 ( 2.592 4.029 -3.955) 6.212 1.701 ( 1.176 3.291 -1.711) 3.891 1.839 ( 4.647 -1.216 -1.082) 4.924 1.917 ( 3.383 -6.148 2.285) 7.380 2.045 ( -1.545 4.900 2.170) 5.577 2.196 ( -2.126 -6.875 1.781) 7.413 2.289 ( 2.700 -1.540 -0.572) 3.160 2.362 ( 1.809 -5.967 -0.946) 6.306 2.570 ( 2.784 7.927 -2.837) 8.867 2.714 ( 3.467 -5.130 -2.381) 6.634 2.927 ( 2.414 4.700 0.557) 5.313 3.050 ( 3.084 -7.829 0.633) 8.438 3.362 ( -3.893 11.532 -0.519) 12.182 3.504 ( -3.664 -3.010 -0.849) 4.817 3.904 ( -3.459 9.492 3.249) 10.612 4.108 ( -3.634 -9.222 3.374) 10.470 4.697 ( -2.419 2.859 -1.967) 4.230 4.738 ( 1.272 -0.906 -4.278) 4.554 5.015 ( -1.665 -1.096 0.706) 2.115 5.031 ( -2.671 -2.772 2.406) 4.540 5.633 ( 3.620 3.803 -9.928) 11.231 5.698 ( -2.613 -1.885 -4.833) 5.809 5.803 ( 8.859 -1.938 0.499) 9.082 5.811 ( 1.137 -1.773 2.599) 3.345 6.270 ( 6.175 1.783 8.497) 10.654 6.334 ( 3.317 -4.961 11.297) 12.777 7.970 ( -1.579 1.249 1.028) 2.261 8.006 ( -1.084 -2.111 0.350) 2.399 8.112 ( -2.932 3.441 -4.374) 6.290 8.158 ( -2.274 -0.730 -4.677) 5.252 9.409 ( -6.348 7.491 1.812) 9.984 9.566 ( -3.312 -7.319 0.651) 8.060 9.756 ( -13.436 1.602 1.693) 13.637 9.805 ( -16.595 -1.837 -1.167) 16.737 10.255 ( -4.058 3.546 1.168) 5.515 10.301 ( -0.671 -1.111 2.942) 3.216 10.757 ( -2.598 1.319 8.153) 8.658 10.799 ( -2.064 -2.659 6.835) 7.619 11.465 ( 12.195 6.989 2.641) 14.301 11.596 ( 9.114 -6.345 1.898) 11.266 12.011 ( -6.702 7.600 0.668) 10.155 12.138 ( 2.760 -4.526 0.499) 5.325 12.693 ( -4.277 7.245 -0.865) 8.457 12.835 ( 1.781 -5.989 -3.425) 7.125 13.202 ( -1.102 0.273 -10.275) 10.337 13.232 ( 0.058 -2.149 -9.461) 9.702 13.768 ( -4.311 0.118 1.168) 4.468 13.788 ( 0.172 -2.074 2.310) 3.109 14.268 ( 9.480 7.014 -7.417) 13.931 14.423 ( 9.777 -8.366 -8.552) 15.450 15.397 ( -0.502 4.234 1.674) 4.581 15.457 ( -0.618 -1.847 1.978) 2.776 16.094 ( -1.632 6.477 5.071) 8.386 16.212 ( -0.793 -5.597 4.014) 6.933 ======================= Grid point 93 (51/125) ======================= q-point: ( 0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.803 4.873 1.398) 5.381 1.169 ( 3.692 0.326 0.796) 3.791 1.348 ( 1.549 5.672 -0.696) 5.921 1.403 ( 4.339 1.434 1.483) 4.804 1.511 ( 2.824 3.110 1.497) 4.460 1.600 ( 3.097 -4.839 4.532) 7.318 1.681 ( 2.750 3.542 -3.680) 5.801 1.716 ( 1.891 -1.047 -4.108) 4.642 1.920 ( 4.548 2.386 -0.305) 5.145 2.023 ( 4.815 -4.682 1.639) 6.913 2.051 ( 0.132 1.083 2.902) 3.100 2.195 ( -0.450 -9.046 3.361) 9.661 2.329 ( 2.716 -0.060 -2.801) 3.902 2.395 ( 2.394 -5.816 1.030) 6.374 2.578 ( 1.523 7.108 -4.844) 8.736 2.727 ( 1.012 -7.531 -4.861) 9.021 2.980 ( 1.414 5.686 0.814) 5.915 3.076 ( -0.121 -3.696 -1.775) 4.102 3.341 ( 0.844 7.079 2.819) 7.667 3.425 ( -3.316 -1.174 -1.102) 3.686 3.874 ( -2.553 8.891 4.259) 10.183 4.055 ( -4.947 -7.849 4.123) 10.153 4.637 ( -3.092 4.576 0.718) 5.569 4.738 ( 1.577 -3.916 -3.026) 5.194 4.979 ( -3.497 -2.304 1.242) 4.368 4.989 ( -1.314 -1.546 -1.166) 2.340 5.594 ( 2.549 3.108 -8.735) 9.616 5.640 ( 1.642 -1.790 -8.020) 8.380 5.914 ( 5.817 2.752 2.872) 7.047 5.985 ( 8.034 -4.281 1.245) 9.188 6.430 ( 2.525 1.043 8.046) 8.497 6.478 ( 2.483 -3.934 9.170) 10.282 7.933 ( -2.714 0.943 0.589) 2.933 7.970 ( -3.675 -3.045 0.925) 4.861 8.017 ( -2.023 4.120 -4.218) 6.234 8.069 ( -2.787 -1.417 -4.331) 5.342 9.261 ( -8.173 8.574 -2.487) 12.104 9.403 ( -12.566 -3.689 -5.141) 14.069 9.528 ( -7.825 1.741 4.886) 9.388 9.567 ( -11.601 -3.213 7.547) 14.208 10.160 ( -5.307 3.539 0.609) 6.407 10.265 ( -4.397 -6.199 1.021) 7.669 10.771 ( -3.404 1.748 9.232) 9.994 10.815 ( -1.932 -2.627 7.485) 8.164 11.658 ( -0.554 0.290 2.326) 2.408 11.679 ( -2.285 -1.721 -0.124) 2.863 11.988 ( 9.304 18.552 -1.184) 20.788 12.305 ( 14.167 -12.730 -0.399) 19.051 12.675 ( 1.156 9.447 2.489) 9.837 12.839 ( 1.504 -6.045 -2.375) 6.667 13.101 ( -0.961 1.285 -8.796) 8.941 13.159 ( -0.087 -4.519 -8.913) 9.993 13.677 ( -6.199 4.048 2.259) 7.741 13.770 ( -3.069 -5.490 1.873) 6.563 14.403 ( 9.768 6.319 -7.104) 13.631 14.540 ( 8.659 -7.422 -7.626) 13.719 15.386 ( -0.782 4.300 -1.280) 4.554 15.447 ( -1.043 -1.739 0.045) 2.028 16.110 ( -1.394 6.515 5.891) 8.893 16.229 ( -1.137 -5.626 4.612) 7.363 ======================= Grid point 94 (52/125) ======================= q-point: ( 0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.575 5.083 1.890) 5.454 1.217 ( 0.795 -0.964 1.584) 2.018 1.341 ( -0.620 7.682 -4.651) 9.002 1.471 ( 1.538 -2.485 -0.411) 2.951 1.600 ( 2.669 4.131 4.088) 6.395 1.652 ( 0.248 -2.092 1.080) 2.367 1.713 ( 2.345 1.623 -1.578) 3.259 1.770 ( 4.083 -0.767 4.115) 5.847 1.985 ( 2.261 2.075 -0.790) 3.169 2.071 ( -0.211 3.246 3.119) 4.506 2.093 ( 0.506 -7.555 -2.513) 7.978 2.208 ( -1.295 -8.424 3.895) 9.371 2.359 ( 2.158 3.635 -1.058) 4.358 2.453 ( 1.838 -5.221 1.210) 5.665 2.593 ( 5.076 3.211 -4.438) 7.468 2.688 ( -0.781 -4.961 -3.469) 6.104 2.978 ( -0.819 4.593 -0.838) 4.741 3.058 ( 0.297 -3.842 -1.782) 4.246 3.351 ( -2.654 4.187 -2.982) 5.785 3.383 ( -0.069 1.086 0.698) 1.292 3.880 ( -0.829 6.363 4.312) 7.730 3.995 ( -4.611 -4.111 4.888) 7.878 4.605 ( -1.594 4.195 3.142) 5.478 4.748 ( 0.904 -8.642 -0.212) 8.692 4.916 ( -2.120 1.692 -2.986) 4.034 4.955 ( -0.731 -1.520 -2.799) 3.268 5.609 ( 6.644 1.543 -10.177) 12.251 5.632 ( 4.883 -0.936 -9.692) 10.893 6.031 ( 2.128 3.472 6.101) 7.335 6.109 ( 1.560 -4.275 6.014) 7.542 6.476 ( -3.328 1.624 6.014) 7.063 6.540 ( -1.961 -4.421 4.468) 6.584 7.887 ( -2.098 -0.300 -0.628) 2.211 7.904 ( -1.804 -1.156 -0.536) 2.208 7.995 ( 1.362 0.594 -1.594) 2.179 8.004 ( -0.725 0.345 -1.998) 2.153 9.122 ( -3.073 5.659 -2.203) 6.806 9.200 ( -4.256 -1.692 -3.022) 5.488 9.442 ( -4.425 4.901 2.494) 7.058 9.494 ( -3.150 -0.780 8.467) 9.068 10.090 ( -2.677 0.391 1.675) 3.182 10.189 ( -4.253 -8.492 3.557) 10.142 10.768 ( -4.321 2.858 7.286) 8.940 10.841 ( -1.864 -4.582 6.421) 8.105 11.579 ( -4.313 0.369 -1.417) 4.555 11.593 ( -3.269 -1.080 -0.765) 3.527 12.205 ( 9.285 20.881 -0.374) 22.855 12.521 ( 6.970 -7.497 -3.306) 10.757 12.709 ( -0.048 3.934 -1.338) 4.155 12.841 ( -2.009 -6.534 -0.710) 6.873 13.065 ( 4.689 1.731 -5.776) 7.638 13.137 ( 6.955 -5.599 -6.178) 10.857 13.580 ( -6.534 6.353 4.156) 10.016 13.715 ( -4.823 -7.379 3.458) 9.469 14.513 ( 7.229 5.275 -5.278) 10.390 14.628 ( 6.545 -6.323 -5.512) 10.639 15.346 ( -1.025 4.968 -4.653) 6.884 15.419 ( -0.921 -2.320 -2.719) 3.691 16.130 ( -1.896 6.154 6.597) 9.219 16.239 ( -1.850 -4.993 4.840) 7.196 ======================= Grid point 95 (53/125) ======================= q-point: (-0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 1.236 2.686 0.417) 2.986 1.239 ( 0.033 -0.416 1.995) 2.038 1.290 ( -0.474 6.471 -2.004) 6.791 1.454 ( -2.597 -6.835 -0.355) 7.321 1.595 ( -3.120 0.220 1.006) 3.286 1.638 ( -3.817 -1.567 2.909) 5.048 1.783 ( -4.849 3.281 -2.918) 6.542 1.809 ( 2.809 5.421 4.145) 7.379 1.997 ( -4.434 -3.900 -5.163) 7.844 2.019 ( 1.524 -4.806 1.306) 5.208 2.077 ( -2.906 5.474 4.945) 7.929 2.204 ( -2.561 -5.714 3.401) 7.126 2.382 ( -0.356 3.221 0.892) 3.361 2.474 ( -0.034 -5.336 0.643) 5.375 2.617 ( 0.559 4.465 -3.641) 5.789 2.727 ( 4.762 -4.750 -0.474) 6.742 2.962 ( 0.011 5.687 -1.454) 5.870 3.074 ( 2.846 -4.273 -0.724) 5.185 3.262 ( -2.911 4.498 -4.380) 6.921 3.359 ( -0.330 -2.282 -2.652) 3.514 3.875 ( -2.657 7.132 3.708) 8.466 3.999 ( 0.712 -4.056 4.588) 6.165 4.626 ( 0.576 3.199 4.207) 5.316 4.771 ( 1.656 -11.224 0.252) 11.349 4.869 ( 1.148 4.456 -5.332) 7.043 4.920 ( -0.275 -1.152 -3.558) 3.750 5.657 ( 5.543 0.247 -9.928) 11.374 5.661 ( 6.470 -0.036 -9.381) 11.396 6.068 ( -4.647 2.406 8.605) 10.071 6.123 ( -6.441 -3.224 9.184) 11.671 6.420 ( -6.228 2.197 3.399) 7.428 6.489 ( -5.782 -4.494 1.936) 7.574 7.868 ( 1.021 -0.238 -1.111) 1.528 7.891 ( 0.640 -2.326 -0.413) 2.448 8.004 ( 2.815 3.425 -1.426) 4.657 8.051 ( 4.583 -1.228 -0.733) 4.801 9.127 ( 5.137 4.708 -2.185) 7.302 9.202 ( 6.466 -2.969 -1.886) 7.361 9.426 ( 0.682 8.444 3.677) 9.235 9.552 ( 2.264 -3.493 5.989) 7.294 10.096 ( 1.698 0.717 2.403) 3.029 10.187 ( -0.296 -7.880 5.788) 9.782 10.717 ( -5.756 4.003 4.706) 8.444 10.823 ( -5.018 -7.067 5.713) 10.381 11.553 ( 2.978 1.949 -1.189) 3.752 11.592 ( 4.663 -1.630 -1.540) 5.175 12.252 ( -6.315 21.067 1.331) 22.033 12.486 ( -3.887 2.370 -4.787) 6.606 12.687 ( -7.927 -5.382 -2.890) 10.008 12.713 ( 1.235 -9.318 -4.206) 10.298 13.211 ( 13.075 3.301 -5.908) 14.723 13.294 ( 10.742 -5.111 -2.856) 12.234 13.507 ( -5.103 6.774 5.467) 10.090 13.649 ( -5.087 -7.824 3.780) 10.069 14.587 ( 3.154 5.034 -2.043) 6.282 14.698 ( 3.750 -6.130 -2.730) 7.687 15.281 ( -0.646 5.652 -6.409) 8.570 15.368 ( -0.919 -3.006 -5.272) 6.138 16.140 ( -2.761 5.659 6.663) 9.167 16.235 ( -2.505 -4.174 4.518) 6.642 ======================= Grid point 96 (54/125) ======================= q-point: (-0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -2.443 5.040 -1.373) 5.767 1.272 ( 1.357 -4.269 -0.835) 4.556 1.316 ( 2.460 0.977 2.812) 3.862 1.398 ( -3.813 -6.134 5.505) 9.081 1.513 ( -6.929 1.683 -0.709) 7.166 1.563 ( -5.538 0.308 4.335) 7.039 1.609 ( -6.305 4.601 -7.508) 10.830 1.791 ( -2.683 -7.675 -2.555) 8.523 1.924 ( -3.236 5.772 0.826) 6.669 2.022 ( -4.210 -3.490 2.245) 5.911 2.063 ( -1.479 5.134 4.162) 6.773 2.185 ( -1.654 -3.945 3.814) 5.731 2.355 ( -2.448 3.643 0.467) 4.414 2.467 ( -1.291 -5.604 -0.644) 5.787 2.595 ( -0.736 7.139 -2.476) 7.592 2.727 ( -2.841 -2.478 -3.080) 4.868 2.940 ( -0.518 2.867 -1.638) 3.343 3.082 ( -4.484 -11.019 -2.037) 12.069 3.261 ( 7.731 11.058 0.483) 13.501 3.401 ( 5.840 -2.882 -1.120) 6.608 3.878 ( 0.098 8.654 3.641) 9.390 4.055 ( 1.633 -7.595 2.878) 8.285 4.689 ( 2.837 4.328 2.898) 5.931 4.812 ( 4.226 -4.729 -4.220) 7.618 4.877 ( 0.041 -2.136 0.192) 2.145 4.893 ( 2.983 -1.491 -5.147) 6.133 5.660 ( 1.619 0.808 -7.478) 7.694 5.682 ( 2.122 -1.425 -6.908) 7.365 6.016 ( -6.305 1.789 7.173) 9.716 6.055 ( -5.478 -2.081 6.217) 8.544 6.296 ( -10.080 1.698 4.055) 10.997 6.348 ( -11.535 -3.866 3.636) 12.697 7.899 ( 2.727 -0.118 -0.765) 2.835 7.921 ( 2.771 -2.425 -0.589) 3.729 8.072 ( 5.147 5.091 -1.962) 7.501 8.139 ( 5.207 -1.668 -1.586) 5.693 9.250 ( 8.451 6.779 -1.817) 10.985 9.389 ( 13.423 -7.104 -2.261) 15.354 9.539 ( 7.926 6.535 4.225) 11.107 9.657 ( 5.345 -5.072 3.926) 8.349 10.169 ( 2.807 2.230 1.706) 3.970 10.225 ( -0.397 -3.015 2.805) 4.137 10.665 ( -2.798 3.253 5.032) 6.613 10.777 ( -3.740 -8.049 6.058) 10.746 11.633 ( 2.127 3.536 2.172) 4.663 11.708 ( 5.213 -3.729 0.751) 6.453 12.037 ( -12.452 18.275 0.808) 22.129 12.318 ( -11.772 -8.678 0.344) 14.629 12.584 ( 2.398 6.250 -2.564) 7.168 12.743 ( 5.212 -7.134 -6.813) 11.157 13.372 ( 8.881 4.093 -12.216) 15.648 13.454 ( 9.078 -3.331 -2.427) 9.970 13.489 ( -0.983 3.233 7.006) 7.778 13.585 ( -4.358 -7.053 2.184) 8.573 14.560 ( -5.640 5.997 -0.956) 8.288 14.687 ( -3.429 -6.790 -3.126) 8.224 15.256 ( 3.307 4.583 -4.189) 7.035 15.326 ( 1.558 -2.310 -4.906) 5.642 16.132 ( -3.454 5.337 6.169) 8.859 16.219 ( -2.654 -3.720 3.914) 6.017 ======================= Grid point 97 (55/125) ======================= q-point: (-0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -3.858 4.852 0.531) 6.222 1.199 ( -4.960 -4.615 -2.979) 7.401 1.356 ( -3.536 1.470 -3.844) 5.426 1.391 ( -3.195 -1.895 2.504) 4.480 1.427 ( 0.246 0.211 -1.534) 1.568 1.482 ( 2.130 -5.628 3.912) 7.178 1.563 ( -0.098 8.523 4.257) 9.528 1.750 ( -1.149 -8.479 0.257) 8.560 1.826 ( -5.833 5.804 -1.419) 8.350 1.934 ( -4.786 -4.444 0.071) 6.532 2.084 ( -0.321 5.944 4.763) 7.624 2.211 ( 0.822 -4.637 4.369) 6.424 2.293 ( -3.180 5.127 -4.425) 7.482 2.392 ( -4.592 -1.770 -1.530) 5.154 2.556 ( -0.807 4.156 -2.389) 4.861 2.660 ( -1.130 -1.076 -1.486) 2.155 2.918 ( -0.469 -0.074 -2.281) 2.330 2.992 ( -2.315 -9.382 0.391) 9.671 3.415 ( 5.299 8.776 0.445) 10.261 3.500 ( 4.011 0.100 0.869) 4.105 3.922 ( 0.876 7.912 3.006) 8.509 4.104 ( 1.398 -8.890 2.145) 9.251 4.746 ( 1.904 5.244 -1.783) 5.857 4.828 ( -1.559 -2.110 -2.799) 3.836 4.900 ( 7.454 0.706 -2.945) 8.046 4.967 ( 4.568 -7.042 0.175) 8.396 5.607 ( -0.847 0.859 -4.477) 4.637 5.636 ( -1.296 -2.181 -4.477) 5.146 5.978 ( -2.637 2.131 1.339) 3.646 6.035 ( -0.741 -1.344 1.696) 2.287 6.107 ( -14.335 0.739 6.201) 15.637 6.167 ( -9.166 -4.768 9.816) 14.252 7.945 ( 2.122 0.436 0.007) 2.166 7.972 ( 2.741 -2.379 -0.533) 3.668 8.146 ( 4.322 4.899 -3.124) 7.242 8.205 ( 3.260 -0.903 -2.626) 4.282 9.384 ( 5.354 7.022 1.338) 8.931 9.565 ( 4.311 -11.307 0.391) 12.108 9.767 ( 12.556 7.193 1.582) 14.556 9.876 ( 14.650 -3.750 1.397) 15.187 10.180 ( -0.373 3.410 -2.348) 4.157 10.225 ( -0.327 -0.833 -0.811) 1.208 10.692 ( -0.256 1.871 7.112) 7.359 10.789 ( -1.590 -7.738 7.710) 11.038 11.522 ( -15.006 7.210 5.835) 17.641 11.658 ( -12.429 -6.838 4.062) 14.756 11.980 ( 4.522 13.295 -0.218) 14.045 12.190 ( -2.224 -6.575 1.174) 7.040 12.680 ( 8.509 5.715 -2.532) 10.558 12.798 ( 5.317 -4.503 -5.858) 9.103 13.359 ( 1.199 4.358 -9.878) 10.863 13.484 ( -2.759 -7.038 -8.625) 11.469 13.567 ( 4.071 2.448 3.657) 5.995 13.634 ( 8.101 -3.947 2.373) 9.318 14.381 ( -9.428 7.316 -3.579) 12.459 14.530 ( -7.673 -7.781 -6.196) 12.562 15.319 ( 3.896 3.055 -0.133) 4.953 15.359 ( 3.937 -1.044 -0.663) 4.127 16.111 ( -3.454 5.464 5.436) 8.446 16.203 ( -2.073 -4.008 3.491) 5.705 ======================= Grid point 126 (56/125) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.712 0.000 12.662) 12.682 0.699 ( -3.090 0.000 16.760) 17.043 0.866 ( -3.592 0.000 20.827) 21.135 1.171 ( -1.068 0.000 -2.782) 2.980 1.595 ( -0.394 0.000 2.129) 2.165 1.650 ( -1.964 0.000 5.077) 5.444 1.680 ( 2.631 0.000 -1.457) 3.008 1.794 ( -1.909 0.000 5.152) 5.494 1.870 ( -7.982 0.000 -7.330) 10.837 1.881 ( 2.153 0.000 -7.036) 7.358 2.123 ( -1.774 0.000 8.246) 8.435 2.168 ( -10.416 0.000 -9.443) 14.059 2.261 ( 5.830 0.000 -3.128) 6.616 2.557 ( 9.168 0.000 2.163) 9.420 2.765 ( -0.056 0.000 -5.282) 5.283 2.915 ( 8.553 0.000 1.046) 8.617 2.988 ( 0.108 0.000 5.704) 5.705 3.076 ( 2.663 0.000 -7.940) 8.375 3.352 ( -3.276 0.000 8.528) 9.135 3.744 ( -0.862 0.000 4.903) 4.978 3.862 ( 0.873 0.000 -4.995) 5.071 4.014 ( -0.623 0.000 -5.346) 5.382 4.510 ( -5.492 0.000 8.603) 10.207 4.637 ( -1.427 0.000 4.761) 4.970 5.207 ( -6.744 0.000 6.226) 9.179 5.370 ( 1.959 0.000 0.152) 1.965 5.507 ( -1.403 0.000 1.657) 2.171 5.959 ( -0.429 0.000 -8.718) 8.728 6.121 ( 5.324 0.000 -1.500) 5.531 6.209 ( 0.507 0.000 -7.144) 7.162 6.313 ( 5.646 0.000 -2.209) 6.063 6.644 ( -3.837 0.000 -11.266) 11.901 7.649 ( -3.265 0.000 6.208) 7.015 7.782 ( -0.737 0.000 0.486) 0.883 8.438 ( 1.202 0.000 2.016) 2.347 8.512 ( -0.637 0.000 -0.914) 1.114 8.731 ( -1.192 0.000 5.409) 5.539 9.002 ( 1.176 0.000 -3.094) 3.310 9.557 ( -30.490 0.000 6.332) 31.141 9.889 ( 9.662 0.000 -0.376) 9.669 10.321 ( -2.706 0.000 4.538) 5.283 10.384 ( -4.995 0.000 11.575) 12.607 10.620 ( 1.979 0.000 -5.065) 5.438 11.119 ( -8.149 0.000 -4.126) 9.134 11.308 ( 0.542 0.000 -2.914) 2.964 11.598 ( 23.284 0.000 -10.276) 25.451 11.832 ( -1.169 0.000 8.725) 8.803 12.037 ( -4.326 0.000 3.693) 5.688 12.602 ( -4.685 0.000 17.705) 18.314 13.058 ( -20.230 0.000 -12.744) 23.909 13.256 ( 9.728 0.000 -10.552) 14.352 13.574 ( 17.021 0.000 -4.684) 17.654 13.645 ( 1.266 0.000 3.875) 4.077 14.017 ( -12.179 0.000 4.659) 13.040 14.123 ( -2.904 0.000 -11.452) 11.815 14.677 ( 20.762 0.000 -15.889) 26.144 14.923 ( -7.842 0.000 9.679) 12.457 15.275 ( 7.808 0.000 -1.440) 7.940 16.045 ( -9.088 0.000 12.163) 15.183 16.390 ( 2.965 0.000 -0.797) 3.071 ======================= Grid point 127 (57/125) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 7.180 0.000 12.591) 14.494 0.860 ( 5.057 0.000 15.640) 16.437 1.096 ( 8.800 0.000 13.192) 15.858 1.181 ( 3.817 0.000 -2.498) 4.562 1.541 ( -5.156 0.000 7.499) 9.101 1.647 ( -4.973 0.000 -9.385) 10.621 1.715 ( 0.064 0.000 -3.228) 3.229 1.720 ( -1.255 0.000 -0.047) 1.256 1.766 ( 2.378 0.000 3.845) 4.521 1.877 ( -10.284 0.000 -8.982) 13.654 1.987 ( 7.145 0.000 6.529) 9.678 2.218 ( 5.307 0.000 6.651) 8.509 2.349 ( 5.484 0.000 -6.555) 8.547 2.659 ( -4.217 0.000 -5.277) 6.755 2.774 ( 10.278 0.000 -3.211) 10.768 3.004 ( -1.306 0.000 1.385) 1.903 3.009 ( 4.004 0.000 -6.564) 7.689 3.117 ( 4.383 0.000 -1.702) 4.702 3.334 ( -5.814 0.000 8.711) 10.473 3.733 ( -3.713 0.000 3.719) 5.255 3.824 ( 1.254 0.000 -4.414) 4.589 4.002 ( 2.655 0.000 -5.200) 5.838 4.439 ( -9.277 0.000 8.895) 12.852 4.650 ( -1.410 0.000 5.024) 5.218 5.098 ( -7.281 0.000 3.454) 8.059 5.388 ( -1.450 0.000 0.414) 1.507 5.489 ( -1.612 0.000 -0.409) 1.663 5.804 ( -9.133 0.000 -6.752) 11.358 6.005 ( -8.634 0.000 2.853) 9.093 6.231 ( 7.014 0.000 -2.464) 7.434 6.470 ( 9.284 0.000 2.919) 9.732 6.743 ( 17.745 0.000 -15.706) 23.697 7.626 ( -4.856 0.000 8.196) 9.526 7.770 ( -0.793 0.000 0.354) 0.869 8.337 ( -13.951 0.000 0.875) 13.979 8.431 ( -3.658 0.000 2.767) 4.587 8.749 ( -1.545 0.000 4.757) 5.002 8.920 ( -4.981 0.000 -2.452) 5.552 9.363 ( -4.160 0.000 11.239) 11.984 10.069 ( 3.898 0.000 5.920) 7.088 10.332 ( 0.112 0.000 3.062) 3.064 10.400 ( 1.213 0.000 5.969) 6.091 10.623 ( 2.088 0.000 -3.048) 3.695 10.979 ( -3.781 0.000 -3.794) 5.356 11.330 ( 2.156 0.000 0.082) 2.158 11.502 ( -14.819 0.000 -15.054) 21.124 11.816 ( -5.093 0.000 4.953) 7.104 12.192 ( 7.926 0.000 13.567) 15.713 12.658 ( -4.227 0.000 15.627) 16.188 12.719 ( -4.471 0.000 -13.912) 14.613 13.384 ( 7.460 0.000 -5.071) 9.020 13.696 ( 1.949 0.000 5.863) 6.179 13.790 ( 12.096 0.000 -5.924) 13.469 13.819 ( -11.263 0.000 2.699) 11.582 14.015 ( 3.416 0.000 -18.163) 18.481 14.848 ( -6.534 0.000 6.958) 9.545 14.874 ( 13.454 0.000 -16.807) 21.529 15.374 ( 3.118 0.000 -0.297) 3.132 15.942 ( -11.002 0.000 13.173) 17.163 16.426 ( 1.115 0.000 -0.544) 1.241 ======================= Grid point 128 (58/125) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.296 0.000 11.441) 11.514 1.083 ( 10.545 0.000 10.210) 14.678 1.249 ( -2.541 0.000 8.231) 8.614 1.254 ( 4.533 0.000 1.134) 4.673 1.509 ( 1.293 0.000 -6.536) 6.663 1.598 ( 1.934 0.000 5.758) 6.074 1.653 ( -5.219 0.000 -7.034) 8.759 1.654 ( 4.395 0.000 -10.317) 11.214 1.738 ( 1.463 0.000 0.458) 1.533 1.913 ( 4.493 0.000 10.993) 11.876 2.183 ( 5.514 0.000 9.704) 11.161 2.350 ( 1.959 0.000 -8.632) 8.851 2.403 ( 9.299 0.000 1.623) 9.439 2.584 ( -0.398 0.000 -2.773) 2.801 2.833 ( -0.068 0.000 -4.782) 4.783 2.966 ( -1.627 0.000 -3.466) 3.829 3.019 ( 2.878 0.000 -6.990) 7.560 3.137 ( -0.430 0.000 -2.782) 2.815 3.276 ( -8.574 0.000 10.882) 13.854 3.677 ( -4.398 0.000 2.655) 5.137 3.874 ( 7.297 0.000 -3.906) 8.277 4.007 ( 2.447 0.000 -7.287) 7.687 4.326 ( -8.816 0.000 8.866) 12.502 4.651 ( -2.567 0.000 3.612) 4.432 5.008 ( -5.073 0.000 3.405) 6.110 5.318 ( -3.118 0.000 -2.879) 4.244 5.455 ( -0.732 0.000 -0.989) 1.231 5.624 ( -4.870 0.000 -4.308) 6.502 5.973 ( -0.075 0.000 5.690) 5.690 6.329 ( 5.803 0.000 -3.636) 6.848 6.639 ( 3.944 0.000 4.483) 5.971 6.950 ( 16.527 0.000 -15.202) 22.456 7.612 ( -4.151 0.000 10.625) 11.407 7.773 ( 1.442 0.000 0.181) 1.454 8.105 ( -11.464 0.000 3.331) 11.938 8.347 ( -7.632 0.000 2.975) 8.191 8.747 ( -1.512 0.000 2.411) 2.846 8.822 ( -3.816 0.000 -1.251) 4.016 9.400 ( -2.581 0.000 12.615) 12.876 10.044 ( -11.938 0.000 11.453) 16.543 10.357 ( 0.203 0.000 1.496) 1.509 10.532 ( 6.958 0.000 -3.934) 7.993 10.690 ( 8.467 0.000 -0.623) 8.490 10.858 ( -5.999 0.000 -9.764) 11.459 11.197 ( -4.677 0.000 0.790) 4.744 11.330 ( -3.793 0.000 -0.256) 3.802 11.799 ( 0.474 0.000 5.962) 5.981 12.339 ( 0.066 0.000 1.244) 1.246 12.619 ( 0.228 0.000 -3.922) 3.928 12.656 ( -8.779 0.000 13.770) 16.330 13.384 ( -3.646 0.000 -0.300) 3.659 13.638 ( -9.324 0.000 2.640) 9.691 13.879 ( 10.169 0.000 6.129) 11.873 13.930 ( 5.461 0.000 -9.881) 11.290 13.989 ( 14.428 0.000 -20.822) 25.332 14.804 ( -2.977 0.000 5.130) 5.931 14.931 ( 6.841 0.000 -15.567) 17.004 15.380 ( -2.135 0.000 -0.612) 2.221 15.872 ( -7.371 0.000 13.382) 15.278 16.419 ( -0.904 0.000 -1.532) 1.778 ======================= Grid point 129 (59/125) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -5.270 0.000 8.008) 9.587 1.186 ( -7.656 0.000 7.489) 10.710 1.349 ( 6.702 0.000 8.333) 10.693 1.355 ( 3.532 0.000 0.789) 3.619 1.571 ( 6.241 0.000 -9.214) 11.129 1.571 ( 1.280 0.000 -8.244) 8.343 1.627 ( 6.279 0.000 7.901) 10.093 1.743 ( 2.362 0.000 2.628) 3.533 1.809 ( 3.686 0.000 2.823) 4.643 2.079 ( 3.977 0.000 5.746) 6.988 2.294 ( -2.514 0.000 6.308) 6.790 2.316 ( 1.890 0.000 -7.158) 7.403 2.506 ( 0.309 0.000 -1.788) 1.814 2.595 ( 3.689 0.000 -1.032) 3.830 2.766 ( -1.867 0.000 -3.251) 3.749 2.933 ( 2.351 0.000 -2.670) 3.558 2.986 ( -0.919 0.000 -7.229) 7.287 3.074 ( -2.804 0.000 -4.530) 5.328 3.191 ( -8.674 0.000 10.870) 13.907 3.621 ( -3.794 0.000 2.771) 4.698 3.918 ( -1.288 0.000 -9.408) 9.495 4.045 ( 9.530 0.000 -2.042) 9.746 4.295 ( -0.532 0.000 4.965) 4.994 4.612 ( -2.870 0.000 0.886) 3.004 4.959 ( -3.768 0.000 5.581) 6.734 5.283 ( 4.130 0.000 -7.365) 8.444 5.461 ( 1.905 0.000 -0.139) 1.910 5.515 ( -4.223 0.000 -2.450) 4.882 6.049 ( 2.208 0.000 6.189) 6.571 6.385 ( 3.155 0.000 -3.978) 5.077 6.664 ( -4.284 0.000 2.789) 5.112 7.108 ( 11.340 0.000 -12.163) 16.629 7.655 ( -1.071 0.000 13.477) 13.520 7.835 ( 4.539 0.000 0.501) 4.566 7.958 ( -7.353 0.000 2.828) 7.878 8.200 ( -9.261 0.000 1.819) 9.438 8.737 ( -0.974 0.000 1.299) 1.624 8.773 ( -0.341 0.000 0.850) 0.916 9.489 ( 1.124 0.000 15.407) 15.448 9.885 ( -11.864 0.000 8.252) 14.452 10.360 ( -0.929 0.000 1.243) 1.552 10.567 ( 2.393 0.000 -5.341) 5.853 10.673 ( -3.131 0.000 -7.302) 7.945 10.838 ( 3.872 0.000 -3.849) 5.460 11.229 ( -2.990 0.000 1.279) 3.252 11.324 ( 11.386 0.000 7.834) 13.821 11.864 ( -2.724 0.000 6.366) 6.924 12.261 ( -0.995 0.000 -14.509) 14.543 12.585 ( -8.159 0.000 13.822) 16.051 12.586 ( -7.451 0.000 8.809) 11.538 13.309 ( -1.477 0.000 -4.077) 4.336 13.506 ( -8.231 0.000 5.906) 10.131 13.931 ( 9.831 0.000 -21.567) 23.702 14.118 ( 7.904 0.000 8.335) 11.486 14.143 ( 13.142 0.000 -10.868) 17.054 14.817 ( -0.323 0.000 5.373) 5.382 14.898 ( 2.322 0.000 -14.480) 14.665 15.289 ( -5.345 0.000 -3.565) 6.425 15.867 ( -4.926 0.000 13.468) 14.341 16.377 ( -1.400 0.000 -2.797) 3.128 ======================= Grid point 130 (60/125) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -9.147 0.000 6.938) 11.481 1.069 ( -10.929 0.000 7.206) 13.090 1.424 ( -3.377 0.000 0.750) 3.460 1.448 ( 4.140 0.000 2.980) 5.101 1.558 ( 2.116 0.000 -5.354) 5.757 1.618 ( 3.206 0.000 -7.203) 7.884 1.771 ( -2.322 0.000 6.817) 7.201 1.807 ( 3.110 0.000 6.211) 6.947 1.915 ( 7.433 0.000 5.968) 9.532 2.067 ( -9.750 0.000 3.904) 10.503 2.182 ( -6.882 0.000 -5.260) 8.662 2.355 ( 6.773 0.000 -4.285) 8.015 2.441 ( -6.531 0.000 1.405) 6.681 2.718 ( 8.708 0.000 1.726) 8.877 2.749 ( 0.950 0.000 2.713) 2.874 2.877 ( -3.939 0.000 -6.350) 7.472 2.956 ( 1.030 0.000 -7.398) 7.470 2.959 ( -4.234 0.000 -7.692) 8.780 3.171 ( -2.000 0.000 10.684) 10.870 3.584 ( -2.068 0.000 3.215) 3.822 3.813 ( -0.949 0.000 -7.957) 8.013 4.199 ( 8.059 0.000 -6.412) 10.299 4.350 ( 2.213 0.000 4.495) 5.010 4.584 ( -0.384 0.000 0.859) 0.940 4.968 ( -0.834 0.000 8.294) 8.336 5.343 ( 9.111 0.000 -12.064) 15.118 5.438 ( -1.608 0.000 0.900) 1.843 5.518 ( 3.650 0.000 0.450) 3.678 6.127 ( 1.059 0.000 4.287) 4.416 6.377 ( -1.630 0.000 -2.725) 3.175 6.538 ( -8.904 0.000 -1.203) 8.985 7.180 ( 5.175 0.000 -8.492) 9.944 7.772 ( -2.279 0.000 13.485) 13.676 7.865 ( -1.283 0.000 3.385) 3.620 7.907 ( -0.521 0.000 1.318) 1.417 8.088 ( -0.277 0.000 0.359) 0.454 8.731 ( -0.986 0.000 1.558) 1.844 8.829 ( 4.796 0.000 0.687) 4.845 9.718 ( 9.441 0.000 17.408) 19.803 9.759 ( -7.058 0.000 5.961) 9.239 10.355 ( 0.055 0.000 1.571) 1.572 10.556 ( 0.357 0.000 -4.884) 4.897 10.649 ( 3.960 0.000 -2.964) 4.946 10.727 ( -6.474 0.000 -7.244) 9.715 11.322 ( 7.541 0.000 5.107) 9.107 11.704 ( 19.459 0.000 13.058) 23.435 11.744 ( -10.858 0.000 -0.072) 10.858 12.101 ( -0.485 0.000 -21.201) 21.207 12.461 ( -13.861 0.000 11.268) 17.863 12.582 ( -7.075 0.000 17.257) 18.651 13.297 ( 3.470 0.000 -2.360) 4.196 13.413 ( -4.748 0.000 1.284) 4.919 13.954 ( 9.656 0.000 -20.583) 22.736 14.278 ( 1.057 0.000 9.154) 9.214 14.288 ( 9.519 0.000 -8.475) 12.745 14.783 ( -0.675 0.000 -17.943) 17.955 14.871 ( 0.392 0.000 7.789) 7.799 15.144 ( -5.300 0.000 -5.955) 7.971 15.893 ( -3.949 0.000 14.366) 14.899 16.334 ( -0.322 0.000 -3.365) 3.381 ======================= Grid point 131 (61/125) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -12.149 0.000 10.145) 15.828 0.875 ( -15.486 0.000 6.302) 16.719 1.257 ( -15.691 0.000 3.775) 16.138 1.455 ( -7.689 0.000 -1.104) 7.768 1.529 ( 1.388 0.000 -6.106) 6.262 1.573 ( 2.354 0.000 -2.781) 3.643 1.786 ( -2.899 0.000 8.399) 8.885 1.879 ( -12.468 0.000 5.060) 13.456 1.945 ( 7.957 0.000 1.270) 8.058 2.001 ( -6.087 0.000 -5.069) 7.922 2.125 ( 6.744 0.000 3.530) 7.612 2.301 ( -7.548 0.000 -1.312) 7.661 2.431 ( 2.450 0.000 1.245) 2.748 2.763 ( -5.963 0.000 -8.646) 10.503 2.787 ( 1.763 0.000 -7.628) 7.829 2.799 ( -5.295 0.000 -10.861) 12.083 2.830 ( -0.636 0.000 5.775) 5.810 2.948 ( 9.346 0.000 0.857) 9.385 3.250 ( 0.416 0.000 9.992) 10.000 3.612 ( 1.497 0.000 4.736) 4.967 3.779 ( 3.790 0.000 -7.081) 8.031 4.212 ( 0.311 0.000 -8.183) 8.189 4.444 ( 2.103 0.000 6.505) 6.836 4.604 ( 0.272 0.000 2.974) 2.987 5.059 ( 2.691 0.000 9.072) 9.463 5.347 ( 0.346 0.000 -3.915) 3.930 5.578 ( 17.682 0.000 -8.824) 19.761 5.582 ( 1.659 0.000 0.857) 1.867 6.150 ( -1.279 0.000 2.218) 2.560 6.248 ( -10.621 0.000 0.337) 10.627 6.380 ( -3.151 0.000 -6.411) 7.144 7.162 ( -0.465 0.000 -9.551) 9.562 7.696 ( -6.903 0.000 4.929) 8.482 7.844 ( -4.132 0.000 0.724) 4.195 8.060 ( 8.875 0.000 13.822) 16.426 8.196 ( 8.115 0.000 0.820) 8.157 8.724 ( -1.382 0.000 2.442) 2.807 8.922 ( 4.826 0.000 -2.112) 5.268 9.715 ( -1.930 0.000 4.246) 4.664 10.054 ( 9.084 0.000 10.765) 14.085 10.463 ( 10.285 0.000 8.179) 13.140 10.471 ( -5.968 0.000 -0.104) 5.969 10.625 ( 2.006 0.000 -7.638) 7.897 10.708 ( 4.030 0.000 -4.522) 6.057 11.515 ( 2.718 0.000 -1.320) 3.021 11.538 ( -3.259 0.000 3.609) 4.862 11.847 ( -6.961 0.000 -24.268) 25.247 12.157 ( 2.462 0.000 -0.196) 2.470 12.414 ( 12.712 0.000 27.211) 30.034 12.566 ( -9.095 0.000 18.651) 20.750 13.300 ( -4.993 0.000 1.934) 5.355 13.428 ( 9.431 0.000 -6.375) 11.384 13.908 ( -2.251 0.000 -14.525) 14.698 14.295 ( -6.136 0.000 7.835) 9.952 14.337 ( 5.139 0.000 -11.380) 12.487 14.608 ( -0.479 0.000 -24.298) 24.303 14.941 ( -1.428 0.000 10.813) 10.906 15.041 ( 0.349 0.000 -3.499) 3.516 15.954 ( -2.270 0.000 15.781) 15.943 16.318 ( 1.480 0.000 -3.068) 3.407 ======================= Grid point 132 (62/125) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -13.316 0.000 11.524) 17.610 0.722 ( -11.547 0.000 14.499) 18.535 0.970 ( -18.540 0.000 11.791) 21.971 1.274 ( -7.200 0.000 -2.996) 7.798 1.548 ( 3.797 0.000 -2.178) 4.377 1.627 ( 3.373 0.000 -0.305) 3.387 1.698 ( -8.036 0.000 3.534) 8.778 1.796 ( -2.588 0.000 6.808) 7.284 1.915 ( -0.332 0.000 -4.192) 4.205 2.050 ( -0.187 0.000 -7.135) 7.137 2.145 ( 1.630 0.000 -0.282) 1.654 2.162 ( -6.695 0.000 2.470) 7.136 2.447 ( -7.518 0.000 -4.321) 8.671 2.553 ( -7.914 0.000 -4.752) 9.231 2.671 ( 6.151 0.000 2.311) 6.570 2.807 ( 5.914 0.000 -8.271) 10.168 2.918 ( 1.003 0.000 8.474) 8.533 3.075 ( 4.615 0.000 -4.544) 6.477 3.322 ( -1.180 0.000 9.406) 9.480 3.691 ( 1.821 0.000 5.292) 5.597 3.830 ( 5.629 0.000 -4.915) 7.473 4.115 ( -3.230 0.000 -7.408) 8.082 4.509 ( -1.465 0.000 7.878) 8.013 4.626 ( -0.966 0.000 4.054) 4.168 5.186 ( 1.937 0.000 8.974) 9.181 5.340 ( 1.356 0.000 -1.427) 1.968 5.562 ( -4.704 0.000 1.657) 4.987 5.882 ( 21.208 0.000 -15.267) 26.132 6.097 ( -2.657 0.000 -1.481) 3.042 6.134 ( 0.039 0.000 0.946) 0.946 6.299 ( -0.258 0.000 -5.403) 5.409 6.967 ( -11.194 0.000 -12.564) 16.827 7.652 ( -2.628 0.000 5.533) 6.125 7.796 ( -1.508 0.000 0.442) 1.572 8.350 ( 6.360 0.000 1.499) 6.534 8.355 ( 10.947 0.000 9.221) 14.313 8.720 ( -1.560 0.000 3.821) 4.128 8.973 ( 3.317 0.000 -3.351) 4.715 9.755 ( 3.872 0.000 1.499) 4.152 10.103 ( -10.550 0.000 -2.664) 10.881 10.396 ( -4.550 0.000 6.636) 8.046 10.457 ( -16.646 0.000 -0.007) 16.646 10.621 ( 2.881 0.000 -6.645) 7.242 11.039 ( 31.146 0.000 -0.163) 31.146 11.370 ( -3.638 0.000 -5.386) 6.499 11.426 ( -16.368 0.000 -11.315) 19.898 11.718 ( 4.982 0.000 9.144) 10.413 12.092 ( -1.767 0.000 -1.725) 2.469 12.563 ( -7.048 0.000 19.429) 20.668 13.095 ( 30.199 0.000 11.510) 32.318 13.229 ( 1.120 0.000 -7.740) 7.820 13.559 ( 6.402 0.000 -0.527) 6.424 13.585 ( -19.769 0.000 -11.261) 22.752 14.190 ( -10.469 0.000 6.356) 12.247 14.336 ( -6.169 0.000 -16.811) 17.907 14.428 ( 14.578 0.000 -15.589) 21.344 14.968 ( -5.435 0.000 11.503) 12.722 15.122 ( 8.752 0.000 -1.866) 8.949 16.044 ( -2.246 0.000 14.518) 14.690 16.341 ( 3.019 0.000 -2.009) 3.626 ======================= Grid point 133 (63/125) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -5.575 2.383 12.571) 13.957 0.737 ( -6.055 5.044 13.561) 15.685 1.090 ( 5.347 13.372 9.383) 17.189 1.203 ( -1.312 2.370 -1.583) 3.137 1.573 ( -2.999 -1.416 0.715) 3.393 1.619 ( -0.007 -5.674 -0.992) 5.760 1.646 ( 0.075 -2.685 -2.267) 3.515 1.706 ( -5.831 -4.259 1.390) 7.354 1.872 ( 0.001 4.425 3.112) 5.410 1.953 ( -0.908 -0.012 -0.308) 0.959 2.020 ( -4.250 -2.410 -3.351) 5.924 2.232 ( 6.519 -0.668 -3.164) 7.277 2.300 ( -4.756 3.801 1.712) 6.324 2.537 ( 6.397 -0.892 3.321) 7.263 2.785 ( 0.030 1.876 -3.189) 3.700 2.855 ( 6.609 -6.115 1.033) 9.063 2.908 ( 1.973 -7.472 -0.333) 7.735 3.008 ( -0.931 -4.642 -1.114) 4.864 3.391 ( -2.322 3.444 4.995) 6.496 3.768 ( -0.634 2.180 4.978) 5.471 3.772 ( -1.502 -9.422 -4.175) 10.414 4.074 ( 1.656 6.349 -5.450) 8.529 4.509 ( -3.986 0.013 7.177) 8.210 4.674 ( -1.459 2.960 3.415) 4.749 5.181 ( -1.871 -2.696 4.296) 5.406 5.308 ( -4.054 -4.158 2.124) 6.183 5.547 ( -0.850 1.797 -1.650) 2.583 5.911 ( 7.636 -7.078 -9.899) 14.367 6.019 ( -0.232 -8.878 -0.157) 8.883 6.134 ( 6.928 -2.412 1.271) 7.445 6.166 ( -10.590 -5.308 0.122) 11.846 6.814 ( 3.788 4.494 -10.327) 11.882 7.652 ( -3.987 2.401 6.028) 7.616 7.841 ( 0.184 5.322 -0.635) 5.363 8.179 ( -0.698 -10.727 5.155) 11.921 8.398 ( 0.752 -8.563 -0.493) 8.611 9.136 ( 4.220 20.159 -0.664) 20.607 9.161 ( 0.299 14.771 -0.789) 14.795 9.622 ( -27.797 6.683 1.306) 28.619 9.904 ( 9.869 1.399 -0.685) 9.991 10.231 ( 0.160 -4.717 7.484) 8.848 10.511 ( -5.506 7.538 4.743) 10.471 10.584 ( -5.357 -4.503 -6.260) 9.389 11.102 ( 3.111 0.705 -2.156) 3.850 11.311 ( -9.947 -1.551 0.916) 10.108 11.602 ( 18.611 2.872 -4.689) 19.406 11.857 ( 1.529 0.159 8.270) 8.412 12.098 ( -3.015 6.614 0.021) 7.269 12.544 ( -3.303 -6.005 14.222) 15.787 12.976 ( -9.978 -6.347 -8.879) 14.787 13.240 ( 3.461 -1.596 -10.119) 10.813 13.390 ( 10.746 -9.896 -3.780) 15.090 13.763 ( 1.573 4.849 2.669) 5.754 13.982 ( -9.687 -2.453 2.882) 10.400 14.196 ( -3.640 3.389 -14.377) 15.213 14.474 ( 16.254 -12.694 -5.875) 21.444 15.064 ( -2.467 8.282 2.652) 9.040 15.319 ( 6.794 4.034 -1.919) 8.131 16.039 ( -8.303 0.195 13.193) 15.590 16.398 ( 2.930 0.189 -0.594) 2.995 ======================= Grid point 134 (64/125) ======================= q-point: ( 0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 5.612 -6.010 14.297) 16.493 0.851 ( 7.050 3.948 10.947) 13.606 1.211 ( 4.632 2.730 -3.628) 6.486 1.284 ( 1.724 6.794 5.478) 8.897 1.488 ( 1.642 -3.930 -2.538) 4.958 1.547 ( -5.578 -4.087 0.663) 6.947 1.644 ( -2.139 -2.594 2.464) 4.168 1.756 ( 4.474 -0.650 7.762) 8.983 1.822 ( -2.594 0.878 -4.702) 5.442 1.849 ( -4.910 1.072 -5.167) 7.208 2.073 ( 6.481 5.981 2.757) 9.240 2.289 ( 2.772 6.328 6.205) 9.286 2.343 ( 5.291 -0.123 -4.822) 7.160 2.644 ( -2.632 -1.459 -2.971) 4.229 2.759 ( 7.030 -1.250 -2.315) 7.506 2.906 ( 0.501 -9.331 -3.636) 10.027 2.970 ( 3.454 -4.702 -3.510) 6.809 3.022 ( 1.092 -6.516 3.744) 7.594 3.355 ( -5.454 1.958 4.791) 7.519 3.729 ( 1.042 -9.053 -2.658) 9.492 3.764 ( -3.268 2.546 3.716) 5.565 4.083 ( 3.698 7.296 -5.976) 10.130 4.449 ( -8.586 0.987 7.785) 11.632 4.673 ( -1.804 1.827 4.003) 4.756 5.089 ( -6.448 -0.902 1.862) 6.772 5.325 ( 0.604 -4.844 1.356) 5.067 5.489 ( -3.687 -0.872 -2.057) 4.311 5.775 ( -8.583 -2.487 -5.428) 10.455 5.987 ( -6.099 -1.421 3.759) 7.304 6.164 ( 9.342 -7.870 -2.650) 12.499 6.346 ( 12.978 -4.506 1.595) 13.830 6.869 ( 8.917 4.577 -9.753) 13.985 7.624 ( -4.236 1.587 6.752) 8.127 7.834 ( -0.169 5.345 -0.626) 5.384 8.155 ( -5.625 -8.228 4.219) 10.823 8.371 ( -2.819 -7.975 -1.392) 8.573 8.992 ( -13.869 17.746 0.006) 22.522 9.117 ( -4.412 16.049 -0.163) 16.645 9.382 ( -5.252 2.347 9.379) 11.003 10.074 ( 2.416 0.091 3.678) 4.401 10.308 ( 2.816 -2.953 5.132) 6.556 10.483 ( 2.570 6.841 3.294) 8.016 10.516 ( 0.385 -6.506 -3.454) 7.376 11.067 ( -3.803 4.869 -2.671) 6.730 11.171 ( -7.693 -6.329 1.842) 10.130 11.707 ( -0.227 10.203 -7.738) 12.807 11.839 ( -7.085 4.288 -0.061) 8.282 12.159 ( 4.793 -2.435 13.990) 14.988 12.582 ( -3.120 -5.633 4.885) 8.082 12.749 ( -2.161 1.046 -5.078) 5.617 13.316 ( 6.323 -6.011 -6.729) 11.018 13.549 ( 7.326 -11.009 1.424) 13.301 13.776 ( -6.961 -1.099 0.517) 7.066 13.874 ( 4.021 3.941 -0.252) 5.636 14.052 ( 0.884 0.758 -15.377) 15.421 14.670 ( 8.663 -9.002 -5.078) 13.486 15.029 ( -0.496 7.559 -3.770) 8.462 15.400 ( 2.528 2.457 -0.338) 3.542 15.966 ( -9.295 2.493 12.744) 15.969 16.432 ( 0.912 0.215 -0.399) 1.018 ======================= Grid point 135 (65/125) ======================= q-point: ( 0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 9.596 -6.283 13.097) 17.409 1.109 ( 11.058 1.635 5.461) 12.441 1.213 ( -6.005 -0.147 3.628) 7.018 1.307 ( 5.441 1.686 -1.597) 5.916 1.444 ( -1.999 -2.998 -2.404) 4.331 1.590 ( 2.871 -5.354 0.420) 6.089 1.615 ( -3.979 -0.556 -2.258) 4.609 1.709 ( 0.862 5.470 1.978) 5.880 1.811 ( 2.348 4.548 -4.072) 6.540 1.956 ( 7.345 3.537 7.930) 11.373 2.205 ( 3.159 1.626 5.485) 6.535 2.341 ( 1.962 0.315 -5.698) 6.035 2.439 ( 5.079 3.672 -0.039) 6.267 2.607 ( 2.685 1.592 0.129) 3.124 2.812 ( 0.011 -2.544 -3.804) 4.576 2.875 ( 0.356 -7.776 -6.330) 10.033 2.986 ( 1.927 -4.989 -3.877) 6.605 3.029 ( -2.841 -7.544 0.574) 8.081 3.275 ( -7.873 0.187 7.602) 10.945 3.716 ( -4.115 2.940 3.000) 5.880 3.789 ( 6.794 -7.994 -1.759) 10.638 4.102 ( 3.471 8.618 -8.674) 12.710 4.335 ( -8.743 0.605 8.508) 12.214 4.661 ( -2.719 0.811 2.969) 4.107 5.005 ( -4.290 -0.405 1.860) 4.694 5.309 ( -0.996 -0.713 -3.109) 3.342 5.410 ( -1.861 -4.036 -1.142) 4.589 5.620 ( -4.124 -0.601 -3.960) 5.749 5.976 ( 0.524 0.101 5.304) 5.331 6.294 ( 6.331 -3.667 -2.385) 7.695 6.583 ( 9.024 -4.120 1.980) 10.115 6.953 ( 6.973 -0.896 -8.131) 10.749 7.610 ( -2.852 1.444 7.358) 8.022 7.839 ( 1.647 4.664 -0.559) 4.978 8.055 ( -7.320 -3.165 3.636) 8.765 8.279 ( -5.598 -6.130 -0.877) 8.347 8.817 ( -6.464 9.135 3.508) 11.728 9.008 ( -6.226 12.935 0.099) 14.355 9.376 ( -4.707 -1.776 11.810) 12.837 9.992 ( -11.466 -4.652 5.905) 13.711 10.395 ( 1.934 3.067 1.883) 4.086 10.489 ( -0.736 -7.432 -4.068) 8.505 10.702 ( 14.953 5.424 0.415) 15.912 10.911 ( -8.452 1.372 -3.767) 9.354 11.085 ( -0.116 0.655 2.449) 2.537 11.607 ( -6.395 17.706 -2.039) 18.935 11.799 ( 1.587 0.158 4.952) 5.202 12.281 ( -4.024 -6.563 11.666) 13.977 12.484 ( -2.884 -4.392 -10.091) 11.377 12.782 ( 0.808 4.359 6.401) 7.786 13.304 ( -2.459 -7.201 -1.958) 7.857 13.619 ( -8.163 -1.963 3.174) 8.975 13.719 ( 8.063 -10.164 -2.535) 13.219 14.003 ( 7.529 -0.248 -13.873) 15.786 14.013 ( 10.136 4.489 -3.990) 11.781 14.746 ( 3.749 -4.702 -2.808) 6.637 14.987 ( 0.825 4.624 -7.926) 9.213 15.401 ( -2.205 1.874 -0.535) 2.943 15.918 ( -6.168 4.331 12.290) 14.416 16.423 ( -1.067 0.235 -1.188) 1.615 ======================= Grid point 136 (66/125) ======================= q-point: (-0.57 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -3.047 6.027 8.106) 10.551 1.207 ( -0.667 0.971 6.751) 6.853 1.301 ( 5.742 -4.035 8.126) 10.737 1.367 ( 1.975 0.996 1.119) 2.479 1.457 ( 4.919 -3.402 -7.264) 9.409 1.592 ( 4.812 -1.199 4.821) 6.916 1.659 ( 5.505 -3.051 -2.326) 6.710 1.756 ( 1.017 6.798 0.481) 6.890 1.839 ( 0.742 2.093 1.631) 2.755 2.109 ( 2.394 -0.353 1.946) 3.105 2.236 ( -2.888 -3.038 0.408) 4.212 2.355 ( 4.053 3.475 -3.340) 6.297 2.471 ( -0.432 -1.534 1.230) 2.013 2.656 ( 0.055 2.996 -3.784) 4.827 2.748 ( -2.639 -1.851 -3.860) 5.029 2.865 ( 3.955 -4.889 -1.526) 6.471 2.947 ( -4.309 -7.033 -1.817) 8.446 2.971 ( 0.077 -5.909 -5.070) 7.786 3.194 ( -7.243 0.826 9.919) 12.310 3.664 ( -3.799 3.688 2.960) 6.066 3.925 ( 7.596 -6.648 -4.577) 11.084 4.048 ( -0.659 6.424 -4.587) 7.921 4.311 ( 0.338 1.678 3.615) 4.000 4.623 ( -2.061 1.084 0.511) 2.385 4.948 ( -4.186 -1.128 4.337) 6.132 5.289 ( 4.241 0.208 -8.395) 9.408 5.413 ( 2.363 -3.995 0.374) 4.657 5.528 ( -2.969 0.708 -2.821) 4.156 6.058 ( 2.329 0.751 6.167) 6.635 6.361 ( 2.728 -2.170 -2.405) 4.235 6.670 ( -1.920 0.127 1.549) 2.470 7.004 ( 4.434 -8.834 -5.714) 11.417 7.648 ( 0.779 0.964 7.759) 7.858 7.883 ( 0.645 2.408 2.363) 3.435 7.970 ( -2.396 0.976 0.655) 2.669 8.159 ( -5.865 -3.384 -0.691) 6.806 8.762 ( -3.106 5.782 4.055) 7.715 8.931 ( -1.252 10.732 1.113) 10.862 9.418 ( -1.138 -5.809 14.503) 15.664 9.834 ( -8.718 -5.347 4.873) 11.329 10.395 ( -1.390 4.386 -1.413) 4.813 10.404 ( -2.808 -8.921 -6.468) 11.371 10.811 ( -1.434 4.868 2.454) 5.637 10.938 ( 7.076 7.136 1.553) 10.169 11.216 ( 12.048 2.611 -0.076) 12.327 11.470 ( -4.630 11.800 0.721) 12.696 11.855 ( -4.087 0.597 4.729) 6.279 12.227 ( -8.056 -8.516 7.475) 13.904 12.358 ( -0.735 -4.019 -10.066) 10.863 12.813 ( -4.344 8.717 9.022) 13.276 13.249 ( -0.203 -5.409 -3.694) 6.554 13.496 ( -8.194 -0.809 5.887) 10.122 13.806 ( 9.090 -10.506 -14.717) 20.239 14.114 ( 7.711 -1.972 0.987) 8.020 14.171 ( 10.470 2.803 -6.422) 12.599 14.795 ( 3.857 -2.411 -2.525) 5.202 14.926 ( -1.024 3.072 -7.087) 7.792 15.314 ( -4.803 2.272 -3.626) 6.433 15.921 ( -4.225 5.093 12.256) 13.928 16.381 ( -1.636 0.352 -2.232) 2.790 ======================= Grid point 137 (67/125) ======================= q-point: (-0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -8.768 4.914 8.695) 13.290 1.148 ( -8.275 10.346 2.844) 13.550 1.405 ( -0.192 -1.125 5.969) 6.077 1.455 ( 2.981 -0.166 -0.914) 3.122 1.521 ( 4.125 0.123 -0.347) 4.141 1.708 ( 2.494 2.003 -5.359) 6.241 1.717 ( -1.612 -1.339 1.891) 2.823 1.818 ( 7.395 -6.399 2.647) 10.131 1.849 ( -0.158 2.844 6.145) 6.773 2.039 ( -9.496 -4.340 1.736) 10.584 2.157 ( -3.242 -1.474 -5.438) 6.501 2.390 ( -8.388 -4.312 1.459) 9.544 2.415 ( 4.270 4.370 -4.868) 7.812 2.686 ( 4.110 -2.647 3.068) 5.772 2.715 ( 1.163 -3.479 1.189) 3.856 2.834 ( -3.333 -6.875 -3.683) 8.481 2.867 ( -2.079 -1.208 -6.749) 7.165 2.945 ( 0.384 -4.260 -4.544) 6.241 3.194 ( -1.481 2.622 10.624) 11.043 3.624 ( -2.391 4.020 2.495) 5.301 3.889 ( -1.805 3.040 -6.272) 7.200 4.137 ( 8.330 -3.395 -4.495) 10.056 4.354 ( 1.196 0.660 2.771) 3.089 4.615 ( 1.236 2.699 -0.279) 2.981 4.930 ( -1.739 -3.373 6.067) 7.156 5.334 ( 7.870 -1.955 -8.940) 12.070 5.464 ( -1.494 2.054 -1.113) 2.773 5.500 ( 6.261 -1.199 -1.019) 6.456 6.131 ( 0.165 0.377 4.640) 4.658 6.359 ( -1.393 -1.390 -1.183) 2.297 6.550 ( -9.691 1.053 -1.646) 9.886 7.023 ( 0.458 -13.415 -1.508) 13.507 7.757 ( 4.050 -1.092 6.478) 7.718 7.834 ( -6.971 2.092 5.257) 8.979 7.981 ( -0.215 1.040 -2.174) 2.420 8.104 ( 3.175 1.058 -0.115) 3.348 8.764 ( -0.316 5.767 4.794) 7.506 8.979 ( 4.798 10.925 0.052) 11.932 9.584 ( 5.849 -8.939 14.910) 18.342 9.758 ( -2.673 -2.997 3.861) 5.571 10.324 ( -1.482 -8.219 -4.159) 9.330 10.372 ( 2.556 0.142 -1.963) 3.226 10.809 ( -3.363 12.564 2.586) 13.261 11.006 ( 1.590 11.532 0.881) 11.675 11.383 ( 7.316 7.327 -1.853) 10.518 11.578 ( 0.607 -8.194 3.944) 9.114 11.748 ( 4.254 1.442 1.729) 4.813 12.126 ( -4.825 -3.978 -1.276) 6.382 12.283 ( -4.777 -4.677 -0.480) 6.703 12.758 ( -9.879 8.888 11.278) 17.430 13.275 ( 7.205 -2.830 -4.572) 8.991 13.398 ( -6.675 -0.457 4.135) 7.865 13.856 ( 9.461 -9.091 -17.025) 21.495 14.214 ( -2.782 -5.442 9.196) 11.041 14.308 ( 9.641 1.466 -8.546) 12.966 14.776 ( -0.262 -0.882 -16.798) 16.823 14.907 ( 1.598 3.327 6.989) 7.904 15.183 ( -4.201 3.491 -6.194) 8.258 15.946 ( -3.834 4.947 13.022) 14.448 16.337 ( -0.715 0.312 -2.686) 2.797 ======================= Grid point 138 (68/125) ======================= q-point: (-0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -13.752 5.571 4.047) 15.379 0.994 ( -11.374 10.458 6.266) 16.673 1.293 ( -13.288 4.744 2.966) 14.418 1.448 ( -5.573 0.101 -0.875) 5.642 1.561 ( 1.565 2.031 0.548) 2.622 1.612 ( -0.705 3.311 -6.505) 7.333 1.771 ( -0.632 -1.454 7.480) 7.646 1.840 ( -7.732 -4.070 -0.613) 8.759 1.923 ( 1.611 -0.901 -1.743) 2.539 1.944 ( -1.315 -5.667 3.608) 6.846 2.106 ( 2.925 -1.829 0.781) 3.537 2.246 ( -5.507 -5.394 -0.045) 7.709 2.415 ( -0.682 -2.199 -1.938) 3.010 2.636 ( -8.425 -4.778 -4.270) 10.585 2.766 ( 2.338 -5.656 4.252) 7.453 2.786 ( -0.178 -0.828 -4.165) 4.250 2.858 ( -2.740 0.434 -7.867) 8.342 2.928 ( 8.309 -1.048 1.204) 8.461 3.272 ( 0.654 2.101 9.420) 9.674 3.634 ( 1.328 3.280 3.243) 4.800 3.830 ( 0.424 0.270 -4.989) 5.014 4.183 ( 1.819 0.482 -8.256) 8.467 4.420 ( 1.623 -2.367 6.847) 7.424 4.648 ( 1.450 3.730 0.770) 4.075 4.982 ( 2.310 -6.014 5.219) 8.291 5.414 ( 3.004 4.594 -3.792) 6.672 5.479 ( 6.723 -6.288 -1.701) 9.361 5.620 ( 8.061 0.684 -4.605) 9.309 6.127 ( -3.466 -1.785 2.310) 4.532 6.266 ( -9.880 1.707 1.442) 10.129 6.360 ( -3.965 -2.114 -5.186) 6.862 6.995 ( -2.617 -14.248 -0.892) 14.513 7.741 ( -5.694 3.736 3.781) 7.789 7.852 ( 0.337 1.838 0.905) 2.077 7.983 ( 2.681 -2.850 4.782) 6.179 8.227 ( 7.530 -1.541 0.252) 7.690 8.832 ( 3.348 9.997 5.564) 11.920 9.071 ( 5.412 11.949 -2.770) 13.406 9.720 ( 0.125 0.544 4.244) 4.280 9.889 ( 9.328 -11.513 7.541) 16.626 10.266 ( -2.653 -10.124 -1.021) 10.516 10.531 ( 15.592 -2.104 1.020) 15.766 10.714 ( -6.835 18.082 1.757) 19.411 11.079 ( 3.715 10.537 3.408) 11.681 11.324 ( -12.806 -5.665 -13.340) 19.340 11.543 ( 8.059 4.463 1.167) 9.286 12.001 ( -3.831 -2.257 -5.575) 7.131 12.057 ( -0.066 0.864 -2.594) 2.735 12.261 ( 9.432 -8.954 17.732) 21.990 12.674 ( -6.180 5.631 13.570) 15.939 13.301 ( -2.883 -1.820 -4.776) 5.868 13.430 ( 9.318 1.452 0.425) 9.440 13.861 ( 2.606 -5.376 -14.094) 15.308 14.158 ( -9.430 -8.985 8.402) 15.500 14.331 ( -0.768 -1.440 -7.675) 7.846 14.621 ( 0.812 0.343 -21.551) 21.569 15.010 ( 1.422 5.240 7.828) 9.526 15.100 ( 1.365 5.314 -3.557) 6.538 15.988 ( -3.288 3.420 14.492) 15.249 16.319 ( 1.125 0.085 -2.373) 2.628 ======================= Grid point 139 (69/125) ======================= q-point: (-0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -13.754 7.999 6.905) 17.345 0.830 ( -11.553 6.928 8.854) 16.120 1.070 ( -11.559 9.634 8.021) 17.052 1.296 ( -6.595 1.889 -2.149) 7.189 1.575 ( 0.419 1.848 -0.439) 1.945 1.614 ( 0.427 -2.152 1.528) 2.674 1.688 ( -3.674 -1.241 -1.009) 4.007 1.811 ( -2.184 1.551 2.917) 3.960 1.845 ( -1.217 -3.971 -4.295) 5.975 1.996 ( -3.275 -4.573 4.046) 6.929 2.123 ( 3.377 -0.942 0.372) 3.526 2.156 ( -4.947 -1.670 -4.673) 7.007 2.413 ( -5.108 -8.457 -1.054) 9.936 2.493 ( -0.860 1.272 2.854) 3.241 2.709 ( -0.465 1.421 -1.386) 2.039 2.819 ( 3.771 1.115 -6.916) 7.956 2.849 ( 2.042 -6.821 4.903) 8.645 3.028 ( 1.792 -3.014 -1.681) 3.889 3.357 ( 0.516 3.122 7.664) 8.292 3.709 ( 2.367 2.378 4.537) 5.643 3.813 ( 0.812 -5.521 -3.880) 6.797 4.119 ( -0.849 3.654 -7.077) 8.010 4.492 ( -0.422 -1.663 7.075) 7.280 4.670 ( -0.363 3.639 2.177) 4.256 5.091 ( 4.513 -6.577 4.761) 9.289 5.404 ( -3.143 2.897 0.619) 4.319 5.566 ( -0.296 0.066 0.822) 0.876 5.747 ( 13.055 -9.728 -9.798) 19.002 6.071 ( -1.307 -3.209 0.437) 3.493 6.112 ( -4.934 -0.176 -2.563) 5.563 6.290 ( -2.526 -2.388 -1.466) 3.772 6.901 ( -4.071 -7.839 -5.908) 10.627 7.683 ( -4.191 4.303 4.875) 7.736 7.843 ( 0.065 4.547 -1.089) 4.676 8.104 ( 3.286 -8.898 6.689) 11.606 8.349 ( 4.638 -6.145 0.146) 7.700 8.981 ( 7.641 15.609 4.569) 17.969 9.134 ( 3.886 14.184 -3.276) 15.067 9.773 ( 4.060 1.774 0.845) 4.510 10.015 ( -4.439 -6.427 0.152) 7.813 10.201 ( -3.939 -9.023 3.945) 10.607 10.602 ( -6.840 15.753 2.835) 17.406 10.866 ( -3.476 -16.164 -14.003) 21.667 10.956 ( 6.419 5.311 -5.144) 9.791 11.212 ( 9.877 10.641 4.272) 15.134 11.607 ( -9.577 4.780 -4.166) 11.486 11.773 ( -2.583 0.512 5.316) 5.933 12.086 ( 2.807 3.463 0.449) 4.480 12.492 ( -2.284 -8.273 14.255) 16.639 12.907 ( 14.944 -9.618 8.379) 19.648 13.240 ( 4.539 -2.133 -10.188) 11.355 13.510 ( -6.983 -2.034 -7.290) 10.297 13.728 ( -2.111 7.579 -0.886) 7.918 14.086 ( -4.989 -7.000 7.041) 11.112 14.273 ( 6.578 -10.784 -9.561) 15.842 14.418 ( -5.225 3.630 -17.998) 19.090 15.064 ( -0.901 6.232 5.796) 8.559 15.188 ( 7.702 6.262 -1.235) 10.003 16.043 ( -3.970 0.644 14.656) 15.198 16.344 ( 3.051 0.016 -1.432) 3.371 ======================= Grid point 140 (70/125) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -7.095 14.477 2.277) 16.282 0.869 ( -4.771 7.740 10.075) 13.571 1.206 ( -1.172 -2.036 -4.629) 5.192 1.293 ( 6.752 7.814 -1.645) 10.457 1.496 ( -2.855 -3.498 -2.805) 5.316 1.545 ( -5.340 -4.897 6.159) 9.510 1.622 ( 1.442 2.288 -2.239) 3.511 1.660 ( -1.662 -2.534 -0.557) 3.081 1.906 ( -4.777 -1.571 2.982) 5.846 1.937 ( -1.922 1.470 -2.477) 3.462 2.072 ( 2.308 3.824 0.599) 4.506 2.206 ( 7.431 -1.160 -0.872) 7.571 2.271 ( 2.719 -5.318 4.801) 7.663 2.563 ( 1.983 1.536 3.775) 4.532 2.670 ( -0.102 -11.126 -2.528) 11.410 2.798 ( 4.034 -1.202 5.181) 6.675 2.828 ( -0.023 -1.303 -2.666) 2.967 2.956 ( -3.870 2.889 -1.274) 4.994 3.474 ( -1.741 4.566 1.991) 5.277 3.528 ( -2.442 -14.227 -1.706) 14.536 3.819 ( -1.085 2.791 4.684) 5.560 4.218 ( 1.573 7.041 -4.357) 8.428 4.518 ( -0.355 1.166 3.151) 3.378 4.722 ( -1.590 1.567 1.264) 2.565 5.113 ( 4.613 -3.641 1.868) 6.167 5.229 ( -8.907 -4.310 1.469) 10.003 5.548 ( -2.104 -1.400 -4.291) 4.980 5.716 ( 13.665 -9.741 -7.037) 18.198 5.930 ( -8.485 -3.186 -0.887) 9.107 6.075 ( -4.963 -3.296 -1.151) 6.068 6.132 ( 1.280 1.789 10.018) 10.257 6.745 ( 4.072 -8.761 0.621) 9.681 7.769 ( -2.321 8.030 -0.330) 8.365 7.956 ( 0.715 5.296 -2.420) 5.867 8.062 ( 0.811 -2.563 2.275) 3.522 8.238 ( 0.540 -7.084 -1.270) 7.218 9.385 ( -0.682 8.592 4.891) 9.910 9.462 ( 0.085 12.074 3.567) 12.590 9.805 ( -12.147 10.399 -6.679) 17.329 9.930 ( 8.491 0.641 -2.262) 8.811 10.171 ( -0.264 -1.131 5.442) 5.564 10.376 ( 1.379 -10.882 -3.339) 11.466 10.734 ( -12.758 11.333 1.934) 17.174 11.122 ( 7.526 -2.652 -0.536) 7.997 11.240 ( -11.957 -1.530 7.383) 14.136 11.747 ( 6.106 7.821 4.115) 10.741 11.844 ( 1.124 1.785 1.841) 2.800 12.212 ( -3.314 0.862 11.588) 12.083 12.433 ( 3.748 -0.911 -5.698) 6.881 12.873 ( -1.745 -4.079 -3.306) 5.533 13.199 ( 1.223 -2.459 -8.909) 9.323 13.222 ( 4.394 -7.348 -10.339) 13.424 13.819 ( 1.522 0.829 5.152) 5.436 13.938 ( -8.474 -2.103 -1.700) 8.895 14.124 ( 0.582 -8.399 -6.470) 10.618 14.342 ( 10.786 -2.189 -10.811) 15.427 15.209 ( -1.635 6.849 3.115) 7.700 15.404 ( 4.766 3.930 -1.727) 6.414 16.069 ( -6.714 2.743 12.000) 14.022 16.384 ( 2.429 -1.631 0.539) 2.975 ======================= Grid point 141 (71/125) ======================= q-point: ( 0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 1.620 9.130 4.847) 10.463 0.958 ( 5.549 6.275 7.670) 11.357 1.202 ( 4.198 -2.502 -4.991) 6.985 1.340 ( -2.770 3.874 -2.160) 5.229 1.442 ( 1.944 -2.405 0.160) 3.097 1.508 ( -5.632 -1.806 5.688) 8.206 1.650 ( 2.759 2.694 0.512) 3.890 1.693 ( 2.068 -4.193 2.161) 5.151 1.835 ( -0.648 1.037 -1.053) 1.613 1.910 ( 2.297 3.004 -2.534) 4.552 2.161 ( 5.319 2.169 -0.043) 5.745 2.321 ( 5.133 -0.198 -3.384) 6.151 2.394 ( 5.381 -0.610 8.391) 9.987 2.582 ( -1.683 -8.966 -5.445) 10.624 2.694 ( 4.872 -3.590 0.856) 6.112 2.792 ( -1.041 1.092 -3.912) 4.192 2.878 ( -1.606 -1.200 -1.443) 2.470 2.915 ( 0.794 -3.320 8.112) 8.801 3.410 ( -5.219 3.106 -0.193) 6.076 3.506 ( 1.061 -12.411 0.415) 12.463 3.814 ( -3.057 2.398 4.456) 5.912 4.240 ( 4.229 7.480 -4.386) 9.647 4.473 ( -7.300 1.513 3.692) 8.319 4.701 ( -2.129 0.756 2.246) 3.185 5.063 ( -4.407 -1.707 -1.460) 4.946 5.233 ( 2.783 -4.203 1.378) 5.226 5.456 ( -4.467 -2.139 -3.324) 5.965 5.718 ( -6.450 -3.308 -5.014) 8.814 5.956 ( -1.972 -1.989 4.099) 4.965 5.987 ( 10.242 -8.017 -1.299) 13.071 6.325 ( 9.780 1.098 4.112) 10.666 6.835 ( 4.220 -6.632 0.543) 7.879 7.720 ( -2.317 7.310 -0.181) 7.671 7.936 ( -1.073 4.152 -1.437) 4.522 8.064 ( -2.188 -1.770 1.768) 3.324 8.218 ( -1.228 -6.940 -2.223) 7.390 9.253 ( -15.033 7.713 6.052) 17.947 9.428 ( -10.673 13.636 -1.764) 17.406 9.497 ( -8.501 9.805 1.374) 13.049 10.036 ( -0.059 -5.002 -0.469) 5.025 10.219 ( 1.816 -3.893 2.344) 4.893 10.430 ( 2.441 -3.415 0.150) 4.201 10.630 ( 3.026 7.729 2.530) 8.677 11.108 ( -9.122 2.758 7.019) 11.836 11.179 ( -1.015 3.565 2.943) 4.734 11.801 ( -0.356 2.929 -2.826) 4.085 11.941 ( 1.863 -0.377 4.552) 4.933 12.189 ( -4.157 7.904 6.520) 11.057 12.473 ( 3.559 -4.617 -0.754) 5.878 12.740 ( -2.253 -1.643 -6.006) 6.622 13.184 ( 3.315 -6.909 -8.328) 11.317 13.342 ( 8.418 -9.418 -1.632) 12.737 13.758 ( -7.867 -0.543 0.168) 7.887 13.948 ( 6.953 2.817 1.862) 7.730 14.002 ( -1.121 -4.546 -11.522) 12.437 14.521 ( 11.750 -6.568 -8.048) 15.684 15.170 ( -2.979 7.090 -0.954) 7.749 15.455 ( 1.205 2.673 -0.126) 2.934 16.034 ( -6.146 4.162 10.815) 13.117 16.421 ( 0.765 -1.529 0.590) 1.808 ======================= Grid point 142 (72/125) ======================= q-point: ( 0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 8.730 0.840 7.810) 11.744 1.146 ( 8.933 2.574 1.585) 9.431 1.239 ( -0.092 2.641 2.941) 3.954 1.348 ( 5.200 1.700 -1.911) 5.795 1.416 ( -2.511 0.785 0.165) 2.636 1.486 ( 0.453 -3.015 3.743) 4.827 1.643 ( -2.196 2.333 -1.066) 3.377 1.782 ( 3.044 2.563 6.284) 7.438 1.865 ( 3.577 -0.115 -2.758) 4.518 1.997 ( 6.460 1.031 -1.455) 6.702 2.236 ( 1.295 1.223 1.008) 2.047 2.354 ( 3.353 -0.052 -4.497) 5.609 2.476 ( -0.005 -5.190 -5.952) 7.897 2.616 ( 6.091 -3.518 5.527) 8.946 2.705 ( -0.220 -4.670 -4.611) 6.566 2.801 ( 2.750 1.628 -2.371) 3.979 2.841 ( -1.931 -3.623 -0.700) 4.165 2.945 ( -4.087 -1.892 6.520) 7.924 3.297 ( -6.093 1.760 0.925) 6.409 3.573 ( 4.698 -11.852 1.360) 12.821 3.790 ( -2.748 3.479 4.296) 6.173 4.295 ( 4.883 10.140 -9.280) 14.587 4.333 ( -9.049 -1.118 7.700) 11.935 4.675 ( -2.243 0.553 1.450) 2.728 4.989 ( -2.781 -1.232 -1.518) 3.399 5.282 ( 2.265 -3.930 -0.187) 4.540 5.334 ( -4.001 -1.396 -4.607) 6.260 5.596 ( -2.989 -1.801 -3.794) 5.155 5.970 ( 2.150 -0.654 4.415) 4.954 6.199 ( 9.133 -5.329 0.389) 10.581 6.527 ( 8.367 -1.294 1.816) 8.660 6.887 ( -0.224 -5.540 1.546) 5.756 7.689 ( -0.749 6.049 0.240) 6.100 7.907 ( -0.450 1.936 -0.985) 2.218 8.020 ( -3.509 -0.568 1.730) 3.953 8.158 ( -2.763 -5.625 -2.454) 6.731 9.026 ( -11.088 10.011 4.844) 15.705 9.218 ( -9.750 6.940 1.776) 12.099 9.387 ( -8.167 4.510 6.457) 11.346 9.883 ( -12.131 -6.102 1.722) 13.688 10.302 ( 2.114 -8.267 -0.819) 8.573 10.452 ( 3.716 -1.237 -1.928) 4.366 10.748 ( 1.594 2.602 1.807) 3.546 11.025 ( -4.165 6.426 8.476) 11.423 11.225 ( 5.069 13.681 2.424) 14.790 11.744 ( -4.118 -2.234 -1.898) 5.055 11.952 ( -1.054 7.150 5.786) 9.258 12.161 ( -9.000 1.759 9.761) 13.393 12.466 ( 2.936 1.578 -16.106) 16.447 12.784 ( 6.679 -4.179 0.924) 7.933 13.153 ( -0.390 -7.165 -2.942) 7.755 13.467 ( 5.079 -11.555 -2.630) 12.893 13.636 ( -6.665 0.349 3.987) 7.774 13.955 ( 4.980 -3.947 -8.027) 10.238 14.101 ( 8.974 4.193 -2.625) 10.247 14.640 ( 8.065 -6.060 -7.809) 12.757 15.095 ( -2.727 6.263 -3.712) 7.774 15.441 ( -2.373 1.831 -0.594) 3.056 16.023 ( -3.802 5.872 10.031) 12.230 16.419 ( -1.120 -0.826 0.072) 1.394 ======================= Grid point 143 (73/125) ======================= q-point: (-0.57 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 8.005 -4.286 9.867) 13.409 1.236 ( -3.619 1.418 7.491) 8.440 1.298 ( 5.941 2.063 0.669) 6.324 1.393 ( 2.241 4.088 0.632) 4.704 1.479 ( 6.104 4.202 -1.812) 7.628 1.568 ( 4.145 -3.630 1.948) 5.844 1.623 ( 0.699 3.655 3.037) 4.803 1.857 ( -0.515 -0.010 3.305) 3.345 1.899 ( 2.035 4.509 -1.608) 5.201 2.049 ( 0.677 -2.164 -3.970) 4.572 2.201 ( -2.422 -2.035 -4.731) 5.691 2.423 ( 3.662 0.081 -0.634) 3.718 2.438 ( 0.032 -1.989 -1.581) 2.540 2.651 ( 1.293 -1.147 -5.470) 5.737 2.698 ( -5.921 -4.957 -4.541) 8.958 2.733 ( -0.158 -8.777 -0.866) 8.821 2.857 ( -2.348 1.630 5.185) 5.920 2.904 ( -1.106 0.164 0.484) 1.219 3.233 ( -2.708 2.631 5.095) 6.341 3.665 ( 2.040 -9.862 2.823) 10.459 3.795 ( 1.099 1.192 1.121) 1.971 4.171 ( -6.553 3.017 1.571) 7.384 4.382 ( 5.205 6.329 -4.370) 9.287 4.650 ( -0.224 1.545 -0.527) 1.648 4.918 ( -4.757 -1.766 1.655) 5.338 5.242 ( -0.668 -6.152 -4.186) 7.471 5.362 ( 7.344 -0.037 -4.238) 8.479 5.527 ( -1.015 -0.880 -4.279) 4.485 6.075 ( 3.089 0.977 6.360) 7.137 6.317 ( 2.841 -2.040 1.010) 3.641 6.649 ( 2.815 -2.399 0.425) 3.723 6.836 ( -6.517 -7.275 2.549) 10.094 7.704 ( 2.142 4.400 0.570) 4.926 7.902 ( -0.834 -0.366 0.922) 1.296 7.977 ( -1.214 -0.069 -0.110) 1.221 8.098 ( -1.031 -2.906 -2.010) 3.681 8.923 ( -4.951 8.746 5.602) 11.506 9.110 ( -2.410 6.141 2.429) 7.030 9.329 ( -3.572 -1.758 9.510) 10.310 9.716 ( -6.225 -5.173 2.309) 8.417 10.246 ( -3.050 -6.525 -3.767) 8.128 10.519 ( 0.481 4.517 -1.262) 4.714 10.763 ( 0.684 -3.724 6.217) 7.279 11.085 ( 2.717 3.654 7.854) 9.079 11.389 ( 9.859 14.297 0.808) 17.385 11.598 ( -8.276 0.706 -4.163) 9.291 11.980 ( -14.710 -10.189 12.929) 22.075 12.031 ( 0.355 14.478 2.990) 14.787 12.384 ( 4.369 3.283 -20.366) 21.087 12.892 ( 2.753 -1.388 1.127) 3.283 13.144 ( 0.361 -4.007 -0.764) 4.096 13.470 ( -2.569 -4.357 0.624) 5.097 13.595 ( 1.635 -7.489 -1.976) 7.916 14.038 ( 4.546 -5.203 1.556) 7.082 14.236 ( 8.832 3.583 -5.358) 10.934 14.722 ( 7.324 -4.900 -7.813) 11.777 15.015 ( -2.857 5.677 -2.779) 6.936 15.361 ( -3.835 2.074 -3.889) 5.843 16.042 ( -2.901 6.638 9.970) 12.324 16.386 ( -1.986 -0.016 -0.559) 2.063 ======================= Grid point 144 (74/125) ======================= q-point: (-0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -6.944 2.963 6.352) 9.866 1.295 ( -4.183 1.211 4.779) 6.465 1.417 ( 4.789 -0.588 1.991) 5.219 1.480 ( 4.389 3.855 5.912) 8.311 1.566 ( 4.643 4.346 3.019) 7.040 1.610 ( -0.926 -2.802 0.455) 2.986 1.691 ( 1.366 -5.445 -1.284) 5.759 1.795 ( -1.056 2.810 -6.304) 6.982 1.936 ( 0.370 4.544 0.542) 4.591 1.979 ( -5.215 -0.168 1.036) 5.320 2.096 ( -4.125 -3.920 -6.081) 8.328 2.308 ( -10.598 -3.681 1.632) 11.338 2.468 ( 0.036 0.076 -6.452) 6.453 2.601 ( 0.981 -5.669 -3.532) 6.750 2.694 ( -0.704 0.953 0.889) 1.481 2.712 ( 1.592 -3.614 4.711) 6.148 2.814 ( -1.498 -3.381 1.457) 3.975 2.896 ( 0.577 0.261 -4.145) 4.193 3.259 ( -0.356 3.554 6.727) 7.617 3.696 ( -1.266 -2.247 5.361) 5.949 3.787 ( -2.267 -5.825 -3.402) 7.117 4.163 ( 4.602 2.083 1.964) 5.420 4.409 ( 1.547 6.091 -5.757) 8.523 4.673 ( 3.067 2.882 -0.971) 4.319 4.853 ( -2.998 -4.219 2.200) 5.624 5.242 ( 3.582 -7.194 -2.850) 8.527 5.479 ( 5.342 -0.488 -6.351) 8.313 5.502 ( 5.348 0.747 -3.761) 6.581 6.145 ( -1.669 1.237 6.012) 6.361 6.339 ( -1.253 -0.599 2.002) 2.436 6.565 ( -11.735 -0.026 -0.931) 11.772 6.760 ( -3.750 -11.667 4.802) 13.163 7.769 ( 3.756 2.251 0.153) 4.381 7.883 ( -2.092 1.509 3.562) 4.398 7.968 ( 1.034 -0.997 -3.309) 3.607 8.100 ( 2.361 -1.472 -0.999) 2.956 8.924 ( 0.464 8.542 6.011) 10.455 9.164 ( 5.283 6.889 1.303) 8.779 9.429 ( 6.434 -6.297 8.969) 12.708 9.686 ( 0.893 -2.656 1.672) 3.263 10.186 ( -0.870 -4.288 -2.157) 4.878 10.456 ( -3.374 4.994 -0.738) 6.072 10.865 ( 0.604 -6.426 10.110) 11.994 11.212 ( 3.250 5.799 6.105) 9.026 11.378 ( -7.574 1.106 -8.015) 11.083 11.629 ( 11.557 7.425 6.536) 15.212 11.811 ( -6.738 -2.589 3.980) 8.243 12.039 ( -4.960 7.758 6.453) 11.244 12.314 ( 5.338 3.679 -20.223) 21.237 12.862 ( -8.535 0.796 4.301) 9.591 13.179 ( 7.117 -5.843 -7.211) 11.696 13.432 ( -4.044 3.467 7.586) 9.270 13.643 ( 7.170 -11.474 -8.677) 16.073 14.079 ( -5.083 -7.697 8.367) 12.453 14.353 ( 7.935 3.005 -7.240) 11.154 14.741 ( 1.622 -2.741 -14.347) 14.696 14.989 ( 1.604 4.902 4.673) 6.960 15.253 ( -2.602 3.055 -6.302) 7.471 16.064 ( -3.447 6.521 10.453) 12.793 16.344 ( -1.613 0.335 -0.851) 1.855 ======================= Grid point 145 (75/125) ======================= q-point: (-0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -8.866 5.807 1.986) 10.783 1.148 ( -11.532 5.483 2.297) 12.974 1.447 ( -4.418 0.750 1.778) 4.821 1.489 ( -7.085 12.031 -1.691) 14.064 1.563 ( -3.533 -3.892 1.186) 5.389 1.620 ( 0.037 -3.522 -4.013) 5.339 1.741 ( 4.745 -4.228 5.786) 8.595 1.753 ( -2.760 -2.990 -6.909) 8.019 1.848 ( -2.874 0.259 5.010) 5.782 1.954 ( -0.200 3.370 -3.011) 4.523 2.047 ( 1.390 -1.998 1.880) 3.075 2.143 ( -7.468 -3.724 3.408) 9.014 2.361 ( -5.519 -3.051 -4.952) 8.018 2.609 ( -5.491 -0.160 2.534) 6.050 2.628 ( 2.523 -6.630 -2.763) 7.613 2.728 ( -3.342 -4.249 4.252) 6.877 2.872 ( 1.252 0.931 -5.513) 5.729 2.939 ( 7.686 3.095 1.609) 8.440 3.321 ( 1.918 2.604 6.327) 7.105 3.687 ( -3.973 -12.832 -1.168) 13.483 3.733 ( 0.157 6.033 3.631) 7.043 4.296 ( 7.438 6.962 -6.490) 12.080 4.364 ( -2.346 -1.232 3.223) 4.172 4.723 ( 2.489 3.488 -1.260) 4.466 4.864 ( 2.996 -5.731 0.904) 6.530 5.324 ( 6.035 -9.067 -0.788) 10.920 5.484 ( 3.151 1.575 -5.863) 6.840 5.616 ( 6.316 -0.946 -4.820) 8.001 6.107 ( -6.104 0.134 4.488) 7.577 6.287 ( -11.724 -4.063 -3.381) 12.860 6.316 ( -6.123 2.170 5.688) 8.634 6.724 ( -4.535 -11.587 5.447) 13.583 7.813 ( 0.478 3.777 0.151) 3.810 7.914 ( 2.198 2.361 3.059) 4.445 7.961 ( 1.539 0.448 -3.547) 3.893 8.157 ( 3.854 -4.100 -0.539) 5.653 9.036 ( 6.044 9.042 5.987) 12.415 9.289 ( 7.074 9.379 -0.424) 11.755 9.688 ( 13.584 -7.700 4.937) 16.377 9.745 ( 3.688 0.644 0.388) 3.763 10.140 ( -2.955 -2.900 -1.624) 4.447 10.459 ( 2.923 -5.450 1.777) 6.434 10.885 ( -3.875 -7.629 4.406) 9.624 11.167 ( -8.462 20.613 -0.791) 22.296 11.343 ( 3.302 -4.741 7.254) 9.274 11.769 ( -2.098 -0.177 1.926) 2.853 11.861 ( 2.661 8.876 -1.125) 9.334 12.046 ( 3.161 -2.689 12.530) 13.200 12.266 ( 6.320 6.684 -17.954) 20.173 12.727 ( -6.799 -0.878 6.535) 9.472 13.211 ( 3.403 -6.157 -12.371) 14.231 13.485 ( 3.281 2.813 5.020) 6.624 13.707 ( 6.947 -9.050 -7.360) 13.577 13.995 ( -10.510 -7.832 9.376) 16.116 14.332 ( -6.137 1.985 -6.016) 8.820 14.610 ( 1.081 -1.280 -19.077) 19.151 15.107 ( 3.576 4.454 5.392) 7.855 15.203 ( 3.011 4.352 -3.074) 6.120 16.078 ( -4.283 5.408 11.516) 13.424 16.320 ( -0.073 -0.016 -0.670) 0.674 ======================= Grid point 146 (76/125) ======================= q-point: (-0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -7.986 10.164 1.715) 13.039 0.967 ( -10.489 7.758 6.259) 14.470 1.300 ( -6.464 13.053 -3.859) 15.068 1.316 ( -6.453 -0.497 -3.096) 7.174 1.520 ( -3.689 -5.419 4.759) 8.101 1.603 ( 1.605 -3.136 -4.971) 6.092 1.633 ( -3.001 -1.107 -2.277) 3.926 1.762 ( -3.825 -2.390 -3.677) 5.820 1.908 ( -1.075 -1.781 8.330) 8.586 1.952 ( 0.045 6.082 4.056) 7.311 2.088 ( 2.053 -2.950 -1.039) 3.741 2.104 ( 0.750 -2.336 -1.382) 2.816 2.236 ( -3.390 -6.770 0.924) 7.628 2.543 ( -2.822 2.198 3.805) 5.222 2.665 ( 1.871 -8.871 -1.540) 9.196 2.717 ( -0.856 -1.982 5.829) 6.216 2.851 ( 0.909 1.460 -4.986) 5.274 3.010 ( 0.249 2.357 -1.865) 3.016 3.429 ( 3.056 3.567 5.466) 7.207 3.602 ( -3.387 -13.466 -2.077) 14.040 3.782 ( 0.773 4.520 4.710) 6.573 4.254 ( -0.905 7.515 -6.012) 9.666 4.455 ( 3.663 -1.336 3.753) 5.412 4.737 ( -0.141 2.712 -0.365) 2.740 4.973 ( 7.026 -5.174 1.476) 8.850 5.379 ( -3.668 -6.274 0.476) 7.283 5.531 ( 7.445 -3.258 -4.095) 9.100 5.625 ( 0.272 -2.340 -5.839) 6.296 6.035 ( -2.105 -0.568 2.804) 3.552 6.085 ( -6.492 -2.520 -3.283) 7.699 6.239 ( -8.693 -1.075 6.576) 10.953 6.697 ( -1.163 -11.240 3.386) 11.796 7.805 ( -1.310 7.050 0.167) 7.173 7.951 ( 2.171 5.350 -3.726) 6.872 8.005 ( 2.536 -2.521 3.058) 4.705 8.216 ( 2.554 -6.238 -0.667) 6.773 9.229 ( 8.927 9.408 5.102) 13.937 9.410 ( 5.130 12.832 0.451) 13.827 9.813 ( 4.323 1.396 -1.146) 4.685 9.928 ( 4.854 -1.458 -0.451) 5.088 10.097 ( 0.707 -2.757 3.944) 4.864 10.469 ( -2.570 -18.402 -6.109) 19.559 10.905 ( 2.071 2.255 2.494) 3.949 11.007 ( -6.409 14.884 1.303) 16.258 11.417 ( -6.576 -3.688 6.817) 10.164 11.671 ( -4.688 3.328 2.260) 6.178 11.837 ( 0.630 14.118 -4.364) 14.790 12.162 ( -4.351 -3.840 16.604) 17.589 12.345 ( 11.941 0.818 -9.912) 15.540 12.787 ( 6.566 -4.459 3.724) 8.767 13.167 ( 4.866 -4.559 -13.855) 15.376 13.457 ( -7.596 -3.400 -7.643) 11.300 13.799 ( -1.150 -1.271 2.975) 3.434 13.950 ( 7.166 -7.504 5.820) 11.897 14.125 ( -8.334 -1.706 -5.217) 9.979 14.448 ( -2.768 -0.527 -18.008) 18.227 15.179 ( 1.525 5.672 3.522) 6.848 15.306 ( 6.361 4.713 -0.201) 7.919 16.085 ( -5.286 3.462 12.446) 13.958 16.336 ( 1.991 -0.888 -0.053) 2.181 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.235 3.606 0.931) 3.732 1.054 ( -6.736 10.705 3.038) 13.008 1.208 ( -1.267 3.514 -2.820) 4.681 1.387 ( -0.706 -6.405 3.898) 7.532 1.439 ( 2.737 6.195 -4.934) 8.379 1.488 ( -2.392 -0.212 0.376) 2.431 1.615 ( -4.694 -1.374 -0.757) 4.950 1.683 ( 0.809 2.915 0.549) 3.074 1.852 ( 0.706 -5.342 0.220) 5.393 1.933 ( 0.185 -1.189 -3.508) 3.709 2.076 ( -0.871 -2.062 3.519) 4.170 2.177 ( 4.903 -0.483 1.703) 5.213 2.274 ( 4.835 3.747 -0.461) 6.135 2.452 ( -0.401 -7.428 -6.026) 9.574 2.554 ( 0.434 -4.940 4.474) 6.679 2.732 ( -1.497 -4.950 4.156) 6.634 2.824 ( 2.720 2.144 -1.127) 3.642 3.148 ( -2.507 13.061 -1.541) 13.388 3.253 ( -1.381 -12.687 1.563) 12.857 3.547 ( -1.567 2.100 -0.368) 2.646 3.889 ( -2.828 5.028 5.861) 8.223 4.303 ( -0.634 0.519 2.272) 2.415 4.566 ( 2.910 3.889 -3.892) 6.224 4.732 ( -1.572 -0.427 -0.652) 1.755 5.052 ( 6.698 -2.460 0.885) 7.190 5.130 ( -5.786 -5.649 0.234) 8.090 5.499 ( -1.837 -3.315 -6.230) 7.292 5.564 ( 10.925 -5.501 -7.986) 14.608 5.884 ( -7.888 -0.827 2.007) 8.181 6.026 ( -6.604 -2.303 1.256) 7.106 6.196 ( 0.776 4.261 10.883) 11.713 6.557 ( 2.842 -9.278 6.854) 11.880 7.918 ( -0.457 6.578 -3.859) 7.640 7.997 ( -0.032 -0.318 0.920) 0.974 8.054 ( 3.514 -0.164 -4.132) 5.427 8.145 ( -0.624 -1.721 -1.438) 2.328 9.479 ( -2.264 2.579 6.089) 6.990 9.665 ( -3.301 7.818 3.654) 9.239 9.858 ( 6.365 -5.755 -3.388) 9.226 9.981 ( -7.643 3.710 -7.213) 11.145 10.182 ( 6.651 3.019 3.647) 8.164 10.268 ( 5.130 0.548 3.735) 6.369 10.896 ( -15.529 3.670 0.478) 15.963 10.997 ( 3.224 -6.835 6.898) 10.232 11.314 ( -6.331 7.490 7.713) 12.477 11.743 ( -0.005 -3.745 9.348) 10.070 12.019 ( -5.156 9.409 -3.394) 11.253 12.147 ( 1.674 -3.093 14.029) 14.463 12.528 ( 5.688 7.067 -13.430) 16.207 12.803 ( 0.983 -3.288 -0.934) 3.557 13.091 ( 5.660 -5.113 -13.036) 15.104 13.164 ( -3.106 -1.761 -10.885) 11.456 13.792 ( 4.582 -3.188 4.427) 7.125 13.877 ( -3.218 -4.050 -2.563) 5.773 14.035 ( -1.090 0.172 -4.286) 4.426 14.283 ( 5.218 -4.214 -11.547) 13.353 15.335 ( -0.679 5.788 3.341) 6.718 15.461 ( 3.371 1.771 0.002) 3.808 16.135 ( -4.959 3.648 8.712) 10.668 16.338 ( 1.084 -2.899 1.901) 3.632 ======================= Grid point 148 (78/125) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -1.777 12.420 0.575) 12.560 1.052 ( 5.107 2.911 3.287) 6.735 1.229 ( 3.992 5.213 -0.468) 6.582 1.395 ( -2.405 -2.780 3.578) 5.130 1.427 ( -2.066 2.861 0.581) 3.577 1.491 ( 2.651 2.788 -0.388) 3.867 1.614 ( 2.848 -2.349 0.278) 3.702 1.713 ( 3.263 1.423 1.478) 3.855 1.825 ( 0.347 -1.673 -4.385) 4.706 1.955 ( 3.712 1.369 -1.425) 4.205 2.136 ( 2.750 -3.794 3.660) 5.946 2.298 ( 5.908 -5.323 0.778) 7.990 2.323 ( 1.863 -5.489 -4.930) 7.610 2.404 ( 0.901 -1.046 -4.294) 4.510 2.603 ( 0.060 -8.243 3.691) 9.032 2.730 ( 2.593 -3.550 -3.125) 5.394 2.905 ( 1.868 1.671 5.372) 5.928 3.052 ( -4.163 9.341 -2.082) 10.436 3.290 ( 1.585 -5.433 5.043) 7.580 3.470 ( -4.599 1.651 -2.776) 5.620 3.874 ( -3.619 4.539 6.435) 8.666 4.317 ( -1.003 -0.856 4.029) 4.240 4.528 ( -2.237 4.531 -5.222) 7.267 4.703 ( -1.488 -0.499 0.422) 1.625 5.026 ( -2.860 -1.874 -2.975) 4.532 5.156 ( 2.006 -4.212 1.384) 4.866 5.423 ( -1.042 -0.537 -5.570) 5.692 5.642 ( -1.280 -4.515 -6.398) 7.934 5.868 ( 8.760 -3.142 2.285) 9.582 5.926 ( -3.891 -1.753 3.517) 5.530 6.368 ( 7.601 3.045 6.374) 10.377 6.679 ( 3.485 -8.055 6.671) 11.024 7.866 ( -1.398 6.893 -4.037) 8.109 7.980 ( -2.194 0.715 0.119) 2.311 8.058 ( -0.134 0.012 -3.280) 3.283 8.106 ( -1.980 -4.219 -1.296) 4.838 9.349 ( -12.623 3.841 4.894) 14.072 9.630 ( -8.538 1.822 0.046) 8.730 9.666 ( -15.131 9.592 -1.065) 17.947 9.908 ( -1.383 -5.787 0.883) 6.015 10.195 ( -4.061 1.218 0.132) 4.241 10.372 ( 0.647 -2.445 0.311) 2.548 10.777 ( 2.836 6.906 3.345) 8.181 11.098 ( -5.236 -3.466 15.613) 16.828 11.338 ( 7.079 10.873 0.425) 12.981 11.842 ( -0.611 -4.469 6.250) 7.708 11.890 ( -5.910 3.131 2.040) 6.992 12.291 ( 4.410 -2.458 7.155) 8.757 12.489 ( 1.530 8.436 -6.589) 10.813 12.713 ( -2.655 -0.356 -8.434) 8.849 13.059 ( 2.073 -5.520 -9.952) 11.568 13.181 ( 6.268 -7.348 -4.693) 10.738 13.757 ( -5.740 0.310 -0.498) 5.770 13.877 ( 0.322 -5.319 -2.210) 5.769 14.030 ( 7.841 3.826 -4.080) 9.631 14.392 ( 11.236 -6.961 -9.176) 16.090 15.306 ( -3.484 6.538 0.173) 7.410 15.492 ( -0.254 0.879 0.343) 0.977 16.121 ( -3.406 4.572 8.139) 9.937 16.372 ( 0.566 -3.301 2.150) 3.980 ======================= Grid point 149 (79/125) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 3.490 8.815 2.662) 9.847 1.192 ( 5.376 0.234 1.858) 5.693 1.291 ( 1.511 3.649 -0.022) 3.949 1.386 ( 0.762 1.608 1.726) 2.479 1.447 ( 2.631 4.012 4.603) 6.649 1.531 ( 2.352 5.326 0.645) 5.858 1.671 ( 2.265 0.306 0.229) 2.297 1.810 ( 3.713 -4.276 -2.119) 6.047 1.849 ( 4.506 4.151 3.306) 6.962 2.022 ( 3.988 1.397 -1.535) 4.496 2.200 ( 0.605 -6.455 -1.764) 6.719 2.298 ( 3.395 -5.441 -4.863) 8.048 2.365 ( 1.336 -2.904 -1.826) 3.681 2.441 ( 4.419 -6.549 -1.749) 8.092 2.611 ( -0.429 -8.894 1.372) 9.009 2.757 ( 1.233 -1.079 -3.435) 3.806 2.943 ( -2.185 1.187 5.027) 5.608 3.002 ( -0.485 7.689 0.648) 7.732 3.314 ( -3.501 0.068 -2.724) 4.436 3.404 ( 0.763 -2.734 3.610) 4.592 3.866 ( -2.646 4.818 6.795) 8.740 4.284 ( -8.045 -4.026 7.034) 11.420 4.476 ( 3.925 8.023 -8.165) 12.101 4.682 ( -0.358 0.170 -0.958) 1.037 4.959 ( -1.559 -1.656 -3.895) 4.510 5.151 ( -3.469 -8.125 1.503) 8.962 5.364 ( 0.641 3.282 -6.267) 7.103 5.555 ( -2.148 -2.298 -4.082) 5.153 5.960 ( 4.406 -0.146 3.825) 5.836 6.100 ( 11.107 -4.694 1.913) 12.209 6.531 ( 4.467 1.537 4.020) 6.203 6.763 ( -0.852 -6.405 6.159) 8.926 7.816 ( -0.424 6.263 -3.539) 7.206 7.925 ( -2.593 0.351 -1.188) 2.873 8.014 ( -2.135 -0.451 -0.569) 2.255 8.057 ( -1.821 -4.763 -1.692) 5.373 9.155 ( -10.720 3.895 4.363) 12.212 9.324 ( -12.430 3.755 -1.194) 13.039 9.508 ( -10.364 6.256 2.216) 12.307 9.780 ( -11.120 -3.705 4.538) 12.569 10.179 ( 0.078 -3.745 0.749) 3.820 10.372 ( 2.882 -5.563 -1.895) 6.546 10.847 ( -0.965 5.937 3.923) 7.181 11.078 ( -7.943 -0.179 15.060) 17.028 11.576 ( 13.852 19.129 2.012) 23.703 11.692 ( -7.938 -1.320 -3.839) 8.916 11.871 ( -8.608 -7.078 11.508) 16.020 12.383 ( 0.873 9.187 -0.324) 9.234 12.521 ( 5.239 4.272 -12.358) 14.086 12.670 ( 7.021 -4.162 -5.136) 9.643 13.029 ( 3.101 -5.807 -5.611) 8.651 13.241 ( 1.859 -11.199 -1.899) 11.510 13.667 ( -5.753 2.577 4.553) 7.776 13.872 ( 2.919 -4.097 -2.479) 5.608 14.178 ( 9.215 3.854 -3.727) 10.661 14.512 ( 9.311 -6.897 -9.099) 14.733 15.224 ( -3.685 6.625 -2.639) 8.027 15.460 ( -2.652 -0.162 -1.084) 2.869 16.136 ( -1.887 5.589 7.924) 9.878 16.387 ( -0.831 -2.462 2.084) 3.331 ======================= Grid point 150 (80/125) ======================= q-point: (-0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 5.788 2.946 5.366) 8.425 1.227 ( -0.841 -2.218 0.523) 2.429 1.301 ( -1.122 -0.853 3.762) 4.018 1.485 ( 6.352 1.202 -1.443) 6.624 1.571 ( 5.003 5.487 1.801) 7.640 1.587 ( 2.680 6.157 3.783) 7.708 1.688 ( -0.760 2.225 0.288) 2.369 1.837 ( 0.144 -0.507 0.511) 0.734 1.971 ( 3.957 3.824 4.027) 6.819 2.058 ( -0.057 0.450 -3.212) 3.244 2.129 ( -1.271 -4.073 -6.133) 7.471 2.318 ( -2.193 -5.842 -0.103) 6.241 2.422 ( 4.713 -2.668 0.278) 5.422 2.482 ( 3.862 -7.310 -6.401) 10.455 2.619 ( -0.737 -6.824 0.062) 6.864 2.735 ( 0.995 2.887 0.565) 3.105 2.885 ( -7.275 3.668 3.582) 8.900 2.998 ( -1.396 5.224 -3.188) 6.277 3.257 ( 1.365 -1.700 -0.547) 2.248 3.447 ( -0.316 -7.396 2.920) 7.958 3.875 ( -2.310 5.246 5.554) 7.982 4.172 ( -7.435 -1.700 6.287) 9.884 4.520 ( 6.232 6.273 -7.495) 11.592 4.682 ( 2.500 1.561 -3.584) 4.640 4.883 ( -5.407 -1.680 -0.207) 5.666 5.084 ( -2.874 -8.976 0.487) 9.437 5.383 ( 7.021 1.696 -7.716) 10.569 5.500 ( 0.689 -1.637 -5.761) 6.029 6.102 ( 4.621 1.874 6.480) 8.177 6.275 ( 4.464 -2.516 3.601) 6.263 6.599 ( 0.414 -1.893 2.771) 3.381 6.719 ( -8.438 -4.999 4.350) 10.729 7.799 ( 1.411 4.666 -2.677) 5.562 7.882 ( -0.575 -0.860 -1.694) 1.985 7.979 ( -1.535 -0.207 0.282) 1.574 8.030 ( 0.605 -3.848 -0.944) 4.008 9.040 ( -4.579 3.192 3.570) 6.626 9.182 ( -2.289 1.066 0.535) 2.581 9.357 ( -5.978 4.688 3.205) 8.245 9.662 ( -4.420 -1.046 3.725) 5.875 10.156 ( -2.357 -2.222 2.009) 3.812 10.463 ( 3.274 -7.789 5.193) 9.918 10.808 ( -4.946 5.847 2.240) 7.980 11.084 ( -2.341 -2.911 10.991) 11.609 11.509 ( -4.148 0.039 -5.840) 7.163 11.749 ( -9.118 -2.370 10.214) 13.895 11.845 ( 5.098 13.634 5.359) 15.511 12.334 ( -2.811 11.707 -4.988) 13.032 12.472 ( 5.293 5.826 -18.875) 20.451 12.794 ( 7.277 -6.017 -6.387) 11.399 13.090 ( 1.835 -2.565 0.559) 3.203 13.247 ( 5.012 -14.434 -4.887) 16.042 13.604 ( -6.730 4.555 9.310) 12.358 13.930 ( 0.772 -5.521 4.599) 7.227 14.307 ( 8.843 3.715 -5.834) 11.226 14.611 ( 8.769 -6.161 -8.663) 13.780 15.137 ( -3.011 6.515 -2.689) 7.664 15.382 ( -3.179 -0.253 -4.187) 5.264 16.166 ( -1.942 5.828 7.996) 10.083 16.375 ( -1.990 -1.188 1.813) 2.943 ======================= Grid point 151 (81/125) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -4.431 -0.495 3.163) 5.467 1.290 ( 5.664 -1.032 7.089) 9.132 1.344 ( 3.124 -5.989 0.970) 6.824 1.491 ( -4.569 1.768 -2.841) 5.663 1.564 ( -1.568 -2.635 -3.246) 4.465 1.658 ( -0.331 3.950 2.112) 4.492 1.741 ( 2.420 7.214 3.867) 8.535 1.820 ( -1.514 -3.431 -0.176) 3.754 1.924 ( -7.363 -0.807 -4.623) 8.731 2.054 ( 1.129 5.334 4.854) 7.300 2.105 ( -0.672 3.512 -2.004) 4.099 2.228 ( -6.572 -3.279 0.432) 7.357 2.428 ( -2.454 -3.516 -4.133) 5.955 2.500 ( 3.133 -4.244 -7.393) 9.082 2.623 ( -0.051 -4.554 6.335) 7.802 2.746 ( -8.063 4.333 -0.256) 9.157 2.855 ( 7.730 2.731 1.744) 8.382 2.930 ( 0.090 5.818 -3.008) 6.550 3.313 ( 2.095 1.057 1.128) 2.603 3.438 ( -1.857 -15.743 1.413) 15.915 3.851 ( -3.879 5.661 5.384) 8.722 4.160 ( 0.890 -1.524 6.014) 6.268 4.557 ( 4.331 7.042 -10.685) 13.510 4.723 ( 3.431 2.403 -1.042) 4.317 4.772 ( -3.946 -3.943 -0.973) 5.663 5.074 ( 0.649 -9.196 1.435) 9.330 5.467 ( 6.355 -0.422 -8.181) 10.368 5.505 ( 6.222 -0.377 -6.267) 8.839 6.180 ( -3.002 2.236 7.117) 8.041 6.321 ( -2.782 -1.615 4.089) 5.203 6.533 ( -13.155 -2.859 3.869) 14.007 6.607 ( -2.569 -3.989 3.691) 6.011 7.827 ( 3.264 2.544 -1.715) 4.480 7.879 ( 2.039 -0.130 -2.241) 3.033 7.963 ( -0.512 -0.548 0.536) 0.921 8.058 ( 2.947 -2.252 -1.417) 3.970 9.042 ( 2.143 3.470 2.657) 4.868 9.240 ( 7.725 -0.942 -0.225) 7.786 9.366 ( 3.371 2.579 5.332) 6.815 9.663 ( 2.561 -1.113 -0.232) 2.802 10.156 ( -1.028 1.269 5.237) 5.486 10.481 ( -6.434 -4.176 4.043) 8.670 10.767 ( -2.344 -0.122 7.285) 7.654 11.114 ( -1.585 -8.418 4.885) 9.861 11.505 ( 7.724 4.330 -2.286) 9.145 11.684 ( -5.595 -5.627 11.531) 13.998 11.893 ( -4.439 18.951 4.162) 19.904 12.257 ( 0.060 7.497 -4.425) 8.706 12.436 ( 6.912 9.125 -19.752) 22.829 12.779 ( -4.351 -7.853 -5.955) 10.773 13.089 ( 2.996 -3.518 -4.920) 6.750 13.372 ( 9.571 -11.014 -5.787) 15.697 13.567 ( -5.221 5.127 10.616) 12.893 13.931 ( -6.490 -7.145 8.925) 13.146 14.419 ( 7.344 3.666 -6.770) 10.640 14.671 ( 4.044 -4.264 -11.340) 12.772 15.093 ( 0.290 5.439 1.429) 5.631 15.289 ( -1.801 0.371 -5.710) 5.998 16.184 ( -3.005 5.494 8.168) 10.292 16.346 ( -2.406 -0.324 1.563) 2.887 ======================= Grid point 152 (82/125) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -4.871 0.756 -0.253) 4.936 1.287 ( -8.516 8.648 -1.983) 12.298 1.385 ( 0.048 -8.264 0.053) 8.264 1.433 ( -1.827 -3.398 -1.370) 4.094 1.540 ( 3.428 -5.078 1.355) 6.275 1.629 ( -4.537 -1.978 7.107) 8.661 1.684 ( -7.492 -4.884 -2.099) 9.186 1.765 ( -6.277 11.377 -0.752) 13.015 1.850 ( 2.436 -1.204 -1.122) 2.940 2.047 ( -4.325 1.740 0.696) 4.713 2.089 ( -2.492 1.388 1.085) 3.052 2.129 ( -1.323 7.790 2.345) 8.242 2.308 ( -5.801 -1.663 -4.285) 7.401 2.503 ( 2.823 -5.117 -6.438) 8.695 2.598 ( -6.686 -2.298 3.643) 7.954 2.670 ( -1.578 -0.838 5.149) 5.450 2.879 ( 1.193 -0.165 -4.695) 4.847 3.073 ( 7.553 10.049 1.346) 12.643 3.320 ( -0.719 -8.214 -0.414) 8.256 3.442 ( 0.946 -6.120 3.535) 7.130 3.854 ( -1.078 6.290 6.422) 9.054 4.253 ( 2.518 -5.092 5.847) 8.152 4.508 ( 1.133 8.886 -10.040) 13.456 4.764 ( 4.283 -4.235 -1.535) 6.216 4.777 ( 2.707 1.938 -2.739) 4.311 5.123 ( 3.220 -10.912 1.433) 11.467 5.497 ( 4.063 0.371 -7.373) 8.426 5.588 ( 5.260 -1.807 -5.216) 7.625 6.120 ( -7.501 0.459 4.867) 8.954 6.192 ( -10.825 -4.208 0.198) 11.616 6.376 ( -8.355 3.125 7.543) 11.682 6.557 ( -7.034 -5.801 7.113) 11.564 7.887 ( 4.116 2.104 -1.485) 4.855 7.920 ( 3.746 1.073 -2.160) 4.455 7.968 ( 1.050 -0.952 -0.345) 1.459 8.108 ( 3.535 -0.958 -2.192) 4.269 9.157 ( 7.361 3.894 2.928) 8.828 9.430 ( 11.448 2.969 -0.524) 11.838 9.560 ( 12.498 -3.374 3.871) 13.512 9.741 ( 6.685 -1.686 -2.049) 7.192 10.147 ( -4.100 3.154 1.822) 5.484 10.355 ( -7.658 -4.065 2.047) 8.908 10.796 ( -0.955 -1.077 7.863) 7.994 11.162 ( 0.095 -11.255 10.703) 15.531 11.599 ( -4.456 20.331 0.728) 20.826 11.713 ( 0.028 -0.474 6.383) 6.401 11.864 ( 2.195 -3.231 7.221) 8.209 12.262 ( 0.030 12.350 -0.300) 12.353 12.406 ( 6.587 7.824 -20.153) 22.600 12.633 ( -3.676 -7.771 -0.166) 8.598 13.106 ( 5.327 -3.624 -13.334) 14.809 13.458 ( 3.650 -7.389 -6.166) 10.293 13.601 ( 2.298 0.360 6.336) 6.750 13.850 ( -8.800 -6.845 8.963) 14.305 14.395 ( -6.403 3.930 -5.797) 9.489 14.576 ( -0.408 -2.048 -15.774) 15.911 15.183 ( 4.915 3.218 3.785) 6.989 15.259 ( 3.296 1.453 -2.269) 4.257 16.182 ( -4.278 4.817 8.512) 10.675 16.317 ( -1.688 -0.382 1.482) 2.279 ======================= Grid point 153 (83/125) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -3.878 2.643 -1.551) 4.943 1.146 ( -5.877 8.587 1.997) 10.596 1.304 ( -5.134 0.194 -4.086) 6.564 1.381 ( -1.821 -7.400 2.379) 7.983 1.536 ( -6.210 -0.698 0.083) 6.250 1.539 ( -4.225 6.169 -6.651) 10.007 1.658 ( -0.416 3.705 1.208) 3.919 1.693 ( 0.470 -4.691 6.962) 8.408 1.826 ( -2.529 -3.319 -2.703) 4.972 1.983 ( -2.327 -3.249 -0.623) 4.045 2.080 ( 2.595 1.675 -0.129) 3.092 2.141 ( -3.618 1.994 1.215) 4.306 2.201 ( -0.051 5.300 1.574) 5.529 2.493 ( 1.350 -6.873 -6.526) 9.573 2.540 ( -2.707 -3.204 4.259) 5.977 2.692 ( -1.254 -1.152 8.052) 8.230 2.848 ( -0.330 -1.059 -5.301) 5.416 3.152 ( 1.524 10.055 0.081) 10.170 3.298 ( -1.453 -13.060 -1.677) 13.247 3.520 ( 2.663 2.403 3.781) 5.213 3.883 ( -1.356 5.948 5.591) 8.275 4.303 ( -1.663 -3.034 4.627) 5.777 4.509 ( 6.238 6.696 -7.441) 11.795 4.768 ( -0.437 0.221 -2.733) 2.776 4.892 ( 8.737 -2.917 -0.182) 9.213 5.189 ( 1.139 -11.419 0.492) 11.486 5.492 ( 1.956 -0.743 -6.172) 6.517 5.587 ( -1.155 -2.249 -4.576) 5.228 5.994 ( -5.054 -2.324 -0.449) 5.580 6.074 ( -2.916 0.232 0.734) 3.016 6.259 ( -12.262 2.531 11.139) 16.758 6.499 ( -3.788 -8.426 7.992) 12.215 7.934 ( 1.980 5.079 -2.998) 6.221 7.970 ( 1.959 -0.269 0.825) 2.142 8.005 ( 4.337 -0.636 -3.378) 5.534 8.146 ( 2.005 -0.728 -2.042) 2.953 9.346 ( 8.625 3.545 4.369) 10.298 9.634 ( 8.354 9.334 1.326) 12.597 9.759 ( 5.235 -7.146 -1.510) 8.986 9.942 ( 13.441 1.149 0.834) 13.516 10.078 ( -0.305 1.189 0.684) 1.406 10.237 ( -4.784 -4.821 -1.874) 7.046 10.867 ( 1.706 -1.419 7.718) 8.030 11.195 ( -10.437 -9.610 10.370) 17.573 11.417 ( -11.405 16.756 4.380) 20.737 11.728 ( -2.264 2.622 2.268) 4.140 12.004 ( 2.186 -6.332 11.463) 13.277 12.155 ( -6.819 11.597 -2.315) 13.651 12.456 ( 10.916 6.499 -11.409) 17.075 12.699 ( 8.167 -4.065 -1.538) 9.251 13.086 ( 5.612 -2.857 -15.281) 16.527 13.382 ( -5.762 -4.375 -9.208) 11.710 13.713 ( 1.845 -5.426 3.461) 6.695 13.815 ( 2.927 -5.778 5.198) 8.305 14.170 ( -9.560 4.327 -4.929) 11.593 14.411 ( -3.831 -2.875 -14.942) 15.691 15.280 ( 3.229 4.443 2.764) 6.148 15.367 ( 5.889 1.666 1.336) 6.264 16.161 ( -5.110 3.930 8.837) 10.939 16.312 ( -0.055 -1.471 1.617) 2.186 ======================= Grid point 154 (84/125) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.022 4.025 0.490) 4.181 1.137 ( -1.747 -4.580 3.700) 6.141 1.270 ( -0.091 4.749 1.822) 5.088 1.335 ( -0.329 -0.313 0.286) 0.537 1.500 ( -0.639 2.781 3.014) 4.150 1.557 ( 0.545 3.319 -6.388) 7.220 1.586 ( -3.562 -0.888 0.118) 3.673 1.687 ( -0.375 -6.009 -5.099) 7.890 1.793 ( 0.832 4.359 4.179) 6.095 1.889 ( 0.440 -3.827 0.418) 3.875 2.081 ( -0.170 3.785 -2.483) 4.529 2.205 ( -0.233 -6.386 -4.789) 7.985 2.237 ( 0.957 4.777 2.711) 5.575 2.391 ( -0.635 -8.516 5.554) 10.187 2.492 ( 0.750 6.288 -3.493) 7.232 2.627 ( 1.187 -6.310 -3.467) 7.297 2.898 ( 2.137 5.372 2.173) 6.176 3.035 ( 0.202 -8.786 1.832) 8.977 3.396 ( -0.966 10.232 -1.580) 10.398 3.533 ( -1.304 -3.768 -2.324) 4.615 4.036 ( -3.560 9.747 7.677) 12.907 4.225 ( -2.302 -7.962 6.742) 10.684 4.651 ( 1.708 4.044 -5.514) 7.048 4.710 ( -0.607 -1.935 -2.888) 3.529 5.019 ( 5.956 -0.810 0.398) 6.024 5.036 ( 1.120 -3.019 0.278) 3.232 5.456 ( 0.964 -0.455 -7.525) 7.600 5.483 ( 4.862 -2.964 -8.359) 10.114 5.905 ( -7.026 2.660 3.581) 8.322 5.970 ( -7.067 -3.441 2.881) 8.372 6.288 ( 0.597 5.132 10.123) 11.365 6.401 ( 1.667 -6.635 9.093) 11.379 7.981 ( 1.430 0.560 -1.204) 1.951 7.998 ( 0.657 -0.777 0.250) 1.048 8.068 ( 1.221 3.487 -5.377) 6.524 8.127 ( -0.085 -1.740 -4.343) 4.680 9.535 ( -0.428 3.903 4.144) 5.708 9.646 ( -0.668 -6.983 1.963) 7.285 9.870 ( -1.175 6.114 -1.198) 6.340 9.973 ( -5.525 -3.573 -3.716) 7.557 10.272 ( 9.368 4.046 3.325) 10.733 10.302 ( 7.129 0.964 4.253) 8.357 10.902 ( -4.883 -1.316 4.549) 6.802 10.906 ( -5.932 -2.024 6.279) 8.872 11.484 ( -7.945 8.706 9.335) 15.036 11.638 ( -5.680 -6.832 9.944) 13.335 12.120 ( 1.181 2.419 0.654) 2.770 12.146 ( -2.723 0.698 3.437) 4.441 12.655 ( 5.821 5.438 -9.182) 12.155 12.739 ( 2.973 -3.436 -2.970) 5.428 13.049 ( 2.268 1.331 -13.084) 13.345 13.113 ( -2.358 -3.676 -11.738) 12.525 13.751 ( 4.735 0.200 1.862) 5.092 13.798 ( 2.375 -3.831 0.366) 4.523 14.088 ( -1.600 4.350 -7.271) 8.623 14.186 ( 1.183 -5.308 -9.596) 11.029 15.428 ( 0.755 3.543 2.836) 4.601 15.470 ( 2.175 -0.818 1.733) 2.899 16.206 ( -3.015 3.607 5.643) 7.345 16.275 ( -0.887 -3.414 3.457) 4.939 ======================= Grid point 155 (85/125) ======================= q-point: ( 0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 4.077 3.750 4.320) 7.024 1.158 ( -0.056 3.248 4.484) 5.537 1.315 ( 1.951 -0.004 0.063) 1.952 1.332 ( 2.045 2.985 -1.055) 3.770 1.523 ( 0.051 4.460 2.442) 5.086 1.553 ( 3.892 1.553 -2.926) 5.111 1.578 ( 2.742 -1.049 -0.845) 3.055 1.653 ( 1.484 -6.508 -2.403) 7.094 1.844 ( 2.495 4.335 0.540) 5.030 1.941 ( 4.240 -3.827 0.085) 5.712 2.087 ( 0.262 1.430 1.149) 1.853 2.183 ( 1.974 -6.699 -3.201) 7.683 2.271 ( 0.968 3.548 1.023) 3.817 2.410 ( -1.169 -9.653 3.484) 10.329 2.488 ( 1.668 6.380 -4.835) 8.177 2.628 ( 2.486 -7.191 -4.755) 8.972 2.968 ( 2.045 4.231 3.252) 5.715 3.051 ( 0.666 -4.129 -0.517) 4.214 3.372 ( -0.757 7.150 1.631) 7.373 3.465 ( -3.066 -2.356 -2.911) 4.840 4.017 ( -4.658 9.842 7.803) 13.396 4.214 ( -4.549 -8.788 6.922) 12.076 4.623 ( 0.777 4.263 -5.668) 7.134 4.682 ( -0.092 -1.815 -2.180) 2.838 5.009 ( -2.717 0.781 -1.511) 3.206 5.064 ( -1.803 -4.482 0.707) 4.883 5.454 ( 4.276 3.572 -7.187) 9.094 5.544 ( 4.365 -5.176 -7.469) 10.081 5.853 ( 1.617 1.055 3.531) 4.024 5.888 ( -2.304 -2.094 3.718) 4.849 6.441 ( 5.868 4.324 7.918) 10.762 6.540 ( 4.297 -5.998 8.496) 11.252 7.974 ( -0.230 3.339 -3.952) 5.179 7.990 ( -2.011 0.833 0.947) 2.374 8.029 ( -0.954 -1.186 -3.746) 4.043 8.060 ( -3.156 -1.975 -3.730) 5.270 9.435 ( -10.530 5.297 1.038) 11.833 9.557 ( -9.400 -6.618 -1.872) 11.647 9.804 ( -9.740 4.256 4.172) 11.419 9.851 ( -6.025 -1.342 4.498) 7.638 10.250 ( -6.683 3.826 -2.152) 7.996 10.321 ( -4.891 -3.068 -1.537) 5.975 10.898 ( 2.703 5.715 6.881) 9.344 11.007 ( 0.422 -5.336 11.778) 12.938 11.542 ( 7.473 9.396 5.537) 13.221 11.707 ( 2.922 -7.703 9.044) 12.234 12.014 ( -7.637 7.928 -0.058) 11.008 12.175 ( 0.447 -7.835 2.247) 8.163 12.667 ( 1.928 7.206 -2.732) 7.944 12.725 ( 0.756 0.487 -6.990) 7.048 12.986 ( 1.511 -1.063 -11.573) 11.719 13.044 ( 2.561 -6.205 -7.822) 10.308 13.767 ( -2.681 0.903 -0.202) 2.837 13.800 ( -0.452 -2.601 -0.692) 2.729 14.121 ( 9.503 5.695 -6.222) 12.707 14.250 ( 10.374 -7.203 -8.279) 15.101 15.418 ( -2.898 4.664 0.489) 5.512 15.483 ( -1.692 -1.901 0.565) 2.607 16.210 ( -1.391 4.537 5.783) 7.481 16.297 ( -0.088 -4.237 3.865) 5.736 ======================= Grid point 156 (86/125) ======================= q-point: ( 0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 1.780 5.306 -1.382) 5.765 1.203 ( 0.333 2.549 3.319) 4.198 1.320 ( -0.231 1.222 -0.471) 1.329 1.397 ( 4.021 -0.754 -1.009) 4.214 1.591 ( 4.146 2.555 1.061) 4.984 1.610 ( 4.282 7.365 2.166) 8.790 1.637 ( 3.455 -3.441 0.302) 4.885 1.738 ( 5.277 -3.772 4.580) 7.940 1.912 ( 4.461 3.417 -0.658) 5.658 2.019 ( 3.360 -6.262 -1.665) 7.299 2.101 ( 0.816 3.820 1.031) 4.040 2.219 ( 2.997 -5.779 -1.717) 6.733 2.299 ( 2.249 2.171 0.406) 3.152 2.413 ( 0.280 -7.823 0.185) 7.830 2.483 ( 1.939 5.180 -3.186) 6.383 2.647 ( 2.082 -9.461 -1.559) 9.812 2.991 ( -0.926 3.217 -0.040) 3.348 3.040 ( -0.931 -1.378 -1.799) 2.450 3.371 ( -2.526 3.582 -1.739) 4.715 3.403 ( -0.741 0.217 1.060) 1.311 3.998 ( -3.779 8.644 8.096) 12.432 4.169 ( -5.867 -7.721 7.062) 11.996 4.606 ( 2.275 5.187 -5.817) 8.119 4.673 ( 1.725 -1.583 -3.860) 4.514 4.940 ( -2.362 0.364 -2.631) 3.554 5.001 ( -4.746 -6.073 1.078) 7.783 5.440 ( 0.354 3.935 -6.175) 7.331 5.506 ( -1.048 -2.794 -5.116) 5.923 5.971 ( 7.396 1.428 3.251) 8.204 6.019 ( 10.293 -3.425 2.526) 11.138 6.578 ( 1.708 3.153 6.169) 7.135 6.654 ( 0.035 -4.653 7.245) 8.610 7.919 ( -1.531 3.873 -4.143) 5.874 7.933 ( -3.591 0.697 -1.452) 3.935 7.980 ( -1.873 -2.601 -0.785) 3.300 7.992 ( -1.007 -1.942 -2.098) 3.031 9.230 ( -10.074 4.269 -0.292) 10.945 9.315 ( -11.167 -3.727 -3.339) 12.237 9.631 ( -11.282 5.981 4.269) 13.464 9.723 ( -10.569 -3.257 6.568) 12.863 10.170 ( -1.284 2.737 0.805) 3.128 10.259 ( 0.230 -5.621 -0.572) 5.655 10.952 ( -3.590 4.811 8.135) 10.110 11.037 ( -6.792 -3.610 13.246) 15.317 11.674 ( -4.438 1.702 0.676) 4.801 11.742 ( -6.405 -4.857 5.722) 9.867 11.980 ( 9.380 18.266 0.901) 20.553 12.293 ( 10.838 -12.895 -0.886) 16.868 12.663 ( 1.927 6.465 -12.536) 14.236 12.711 ( 3.648 3.787 -3.203) 6.157 12.938 ( 3.128 -1.410 -8.755) 9.404 13.038 ( -0.365 -9.129 -1.242) 9.221 13.728 ( -2.825 3.474 3.854) 5.908 13.798 ( 0.398 -3.597 1.573) 3.945 14.263 ( 9.674 5.001 -6.145) 12.504 14.377 ( 9.688 -6.570 -8.295) 14.347 15.345 ( -3.569 5.441 -2.298) 6.901 15.429 ( -3.090 -3.007 -1.787) 4.667 16.239 ( -0.864 4.839 6.124) 7.852 16.325 ( -0.602 -3.848 4.224) 5.746 ======================= Grid point 157 (87/125) ======================= q-point: (-0.57 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.905 -0.174 -3.044) 3.181 1.208 ( 0.139 0.538 0.487) 0.739 1.304 ( -0.792 5.446 0.625) 5.539 1.449 ( 1.928 -5.377 -1.087) 5.815 1.639 ( 1.012 2.813 1.103) 3.186 1.685 ( 0.952 -0.190 2.343) 2.536 1.781 ( 6.407 7.275 5.750) 11.271 1.846 ( -0.179 1.206 2.173) 2.492 1.961 ( 1.432 -2.613 -1.745) 3.453 2.008 ( -0.810 -5.492 -3.103) 6.360 2.143 ( 1.511 4.967 2.462) 5.745 2.249 ( 1.293 -3.776 -0.617) 4.039 2.379 ( 3.359 1.543 1.756) 4.092 2.427 ( 2.220 -2.124 -2.464) 3.939 2.529 ( 4.094 1.763 -0.918) 4.551 2.679 ( 1.597 -8.423 2.995) 9.081 2.963 ( -1.707 2.888 -0.111) 3.356 3.009 ( 1.164 -2.620 -3.134) 4.247 3.273 ( -4.244 5.467 -4.396) 8.199 3.375 ( -3.298 -3.534 -1.444) 5.045 3.998 ( -3.344 7.001 7.396) 10.719 4.116 ( -5.121 -4.373 6.930) 9.663 4.614 ( 3.259 3.940 -5.215) 7.303 4.684 ( 3.790 -2.261 -6.862) 8.158 4.869 ( -4.793 0.951 0.469) 4.909 4.932 ( -2.807 -5.606 1.462) 6.438 5.423 ( 4.417 2.296 -7.768) 9.226 5.466 ( 2.332 -1.961 -6.924) 7.565 6.150 ( 6.001 3.006 5.915) 8.946 6.215 ( 6.054 -3.458 4.950) 8.550 6.591 ( -4.298 1.078 4.463) 6.289 6.636 ( -6.577 -3.391 4.509) 8.666 7.858 ( -1.396 1.631 -1.841) 2.828 7.888 ( -0.491 -0.076 -0.880) 1.011 7.952 ( 0.200 -0.458 -2.010) 2.071 7.980 ( 1.174 -1.717 -1.013) 2.313 9.093 ( -3.532 2.758 -0.387) 4.498 9.151 ( -3.248 -2.951 -1.931) 4.794 9.492 ( -5.014 7.571 1.857) 9.269 9.616 ( -4.083 -4.472 2.131) 6.419 10.177 ( -1.693 4.310 7.838) 9.104 10.302 ( 0.130 -7.835 8.136) 11.296 10.913 ( -5.857 4.719 4.910) 8.983 11.003 ( -5.608 -4.630 8.470) 11.164 11.540 ( -4.878 3.236 -0.579) 5.883 11.628 ( -7.856 -5.636 5.781) 11.265 12.204 ( 9.540 16.501 -0.197) 19.062 12.428 ( 4.082 -4.967 -6.319) 9.015 12.575 ( 0.387 7.866 -12.992) 15.192 12.736 ( 2.655 -3.255 -9.583) 10.464 13.001 ( 5.489 -6.686 -3.050) 9.173 13.022 ( 3.897 -4.209 -1.476) 5.923 13.711 ( -4.860 5.840 9.171) 11.909 13.823 ( -2.435 -5.506 7.383) 9.526 14.387 ( 9.349 4.603 -6.956) 12.529 14.490 ( 9.394 -5.874 -8.103) 13.726 15.259 ( -2.923 5.603 -3.457) 7.203 15.347 ( -2.926 -3.247 -4.081) 5.980 16.266 ( -1.608 4.379 6.230) 7.783 16.337 ( -1.735 -2.774 4.204) 5.327 ======================= Grid point 158 (88/125) ======================= q-point: (-0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.969 -0.342 -1.514) 1.830 1.215 ( 1.546 -4.666 -2.310) 5.431 1.330 ( 1.941 5.032 3.340) 6.344 1.457 ( 0.004 -6.052 -0.603) 6.082 1.627 ( -3.531 5.997 0.503) 6.977 1.706 ( -7.213 -2.936 0.913) 7.841 1.720 ( -4.429 3.078 2.395) 5.901 1.819 ( -4.863 -3.706 -3.527) 7.059 1.961 ( 1.120 4.710 2.370) 5.390 2.049 ( 2.380 -4.364 1.394) 5.162 2.170 ( -1.359 5.153 2.879) 6.057 2.260 ( -0.446 -0.715 1.218) 1.481 2.377 ( -1.545 0.960 -2.710) 3.264 2.441 ( -0.190 -3.334 -2.403) 4.115 2.595 ( 1.647 4.908 3.420) 6.204 2.747 ( -0.127 -6.408 0.925) 6.476 2.927 ( -1.556 6.727 -2.038) 7.199 3.058 ( 5.879 -1.208 -0.786) 6.053 3.194 ( -1.687 -1.322 -1.790) 2.792 3.291 ( 0.808 -4.563 -3.525) 5.822 3.980 ( -3.920 7.359 6.986) 10.877 4.106 ( -1.705 -4.577 6.060) 7.783 4.641 ( 4.575 2.132 -7.199) 8.792 4.692 ( 2.564 -3.489 -7.467) 8.631 4.800 ( -2.107 5.031 2.133) 5.856 4.913 ( -1.303 -6.773 2.625) 7.380 5.470 ( 6.269 0.733 -8.103) 10.271 5.490 ( 6.217 -1.055 -7.473) 9.778 6.226 ( -4.576 2.388 6.739) 8.488 6.276 ( -5.327 -2.669 5.617) 8.189 6.509 ( -7.253 0.790 4.858) 8.766 6.548 ( -4.501 -2.682 3.944) 6.558 7.848 ( 1.267 1.207 -0.644) 1.864 7.888 ( 0.803 -1.800 -0.058) 1.972 7.962 ( 2.772 2.438 -2.566) 4.496 8.017 ( 4.032 -2.390 -2.504) 5.314 9.097 ( 4.285 2.981 -0.588) 5.253 9.168 ( 6.378 -4.201 -1.625) 7.808 9.485 ( 2.526 6.960 2.146) 7.709 9.605 ( 2.313 -4.848 -0.910) 5.448 10.226 ( -1.653 5.372 10.323) 11.754 10.351 ( -3.786 -7.163 9.703) 12.641 10.833 ( -5.594 5.282 5.461) 9.434 10.956 ( -4.689 -7.296 5.612) 10.330 11.559 ( 6.207 2.123 2.406) 6.988 11.605 ( 0.956 -2.776 5.998) 6.678 12.268 ( -6.878 16.348 -0.327) 17.739 12.360 ( 2.449 4.050 -8.581) 9.799 12.533 ( 4.157 -0.702 -10.378) 11.202 12.621 ( -6.425 -8.149 -7.926) 13.058 13.056 ( 6.805 2.014 -6.622) 9.707 13.172 ( 10.469 -8.591 -6.391) 14.975 13.682 ( -6.439 6.008 10.427) 13.648 13.801 ( -7.092 -6.222 9.722) 13.547 14.496 ( 7.004 4.156 -7.250) 10.904 14.582 ( 5.969 -4.587 -8.805) 11.584 15.194 ( -0.829 4.664 -1.659) 5.019 15.267 ( -1.416 -2.553 -4.135) 5.062 16.274 ( -2.807 3.618 6.133) 7.655 16.326 ( -2.738 -1.750 3.970) 5.130 ======================= Grid point 159 (89/125) ======================= q-point: (-0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -1.711 2.029 -3.271) 4.212 1.219 ( -0.175 -6.985 -1.800) 7.216 1.403 ( 1.068 0.534 -0.001) 1.194 1.443 ( -3.381 0.596 -1.965) 3.956 1.471 ( -3.337 2.859 -0.401) 4.413 1.576 ( -8.414 -4.007 5.677) 10.913 1.649 ( -5.350 3.066 3.765) 7.225 1.766 ( -0.201 -6.525 0.422) 6.541 1.941 ( -5.250 6.370 0.959) 8.310 2.040 ( -4.469 -3.425 0.150) 5.633 2.154 ( -1.271 6.184 1.991) 6.620 2.252 ( -1.002 -0.326 0.854) 1.357 2.305 ( -3.618 3.414 -3.103) 5.863 2.417 ( -0.109 -5.020 -3.090) 5.896 2.600 ( -4.855 4.358 2.528) 6.997 2.668 ( -2.582 -0.741 -2.751) 3.845 2.889 ( -0.274 2.737 -3.365) 4.346 3.053 ( -3.698 -13.433 -0.571) 13.944 3.280 ( 9.179 9.317 0.604) 13.093 3.401 ( 7.637 -2.957 1.468) 8.320 3.987 ( -1.505 7.473 7.592) 10.759 4.135 ( -0.129 -7.067 5.872) 9.189 4.646 ( 3.044 4.582 -9.700) 11.151 4.701 ( 5.123 -2.265 -6.117) 8.294 4.816 ( 1.395 3.050 0.680) 3.422 4.928 ( 0.744 -8.253 3.186) 8.878 5.513 ( 4.138 1.362 -6.802) 8.077 5.548 ( 4.489 -2.089 -5.877) 7.684 6.118 ( -9.515 0.152 2.877) 9.942 6.139 ( -8.300 -1.698 1.689) 8.639 6.430 ( -8.232 2.442 8.494) 12.077 6.479 ( -9.008 -2.753 8.684) 12.811 7.888 ( 3.067 0.434 -0.309) 3.113 7.918 ( 2.345 -2.149 -0.057) 3.181 8.009 ( 4.606 4.413 -3.780) 7.414 8.081 ( 5.010 -2.481 -3.922) 6.829 9.230 ( 9.473 4.459 -0.147) 10.471 9.345 ( 12.861 -6.962 -2.237) 14.795 9.615 ( 8.495 4.703 3.382) 10.283 9.691 ( 7.729 -3.136 -0.061) 8.341 10.227 ( -4.979 4.164 3.498) 7.373 10.295 ( -6.597 -2.790 3.214) 7.850 10.828 ( -1.799 4.210 10.195) 11.176 10.957 ( -2.069 -8.849 11.095) 14.342 11.719 ( 3.423 1.266 5.692) 6.762 11.752 ( 7.937 -1.785 5.785) 9.982 12.041 ( -12.605 17.324 -0.467) 21.429 12.328 ( -8.140 -9.373 0.822) 12.441 12.483 ( 4.823 3.600 -9.738) 11.448 12.554 ( 7.335 -0.905 -10.989) 13.243 13.115 ( 6.617 5.503 -11.971) 14.743 13.280 ( 6.996 -9.654 -8.943) 14.904 13.645 ( -4.398 3.380 7.254) 9.131 13.730 ( -7.033 -5.280 8.111) 11.964 14.471 ( -4.509 3.553 -7.691) 9.597 14.531 ( -2.384 -2.634 -11.467) 12.004 15.235 ( 4.769 2.146 1.570) 5.460 15.265 ( 3.860 -0.769 -0.700) 3.997 16.259 ( -3.832 3.013 6.003) 7.732 16.301 ( -3.019 -1.356 3.729) 4.986 ======================= Grid point 160 (90/125) ======================= q-point: (-0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.976 3.463 -3.588) 5.364 1.172 ( -3.017 -6.949 -0.238) 7.579 1.305 ( -4.309 4.668 -0.015) 6.353 1.362 ( -3.196 0.215 -0.796) 3.300 1.506 ( -2.566 -0.280 4.642) 5.312 1.554 ( 2.071 -3.568 2.636) 4.895 1.629 ( 0.495 2.912 0.902) 3.088 1.736 ( -2.639 -6.131 -2.348) 7.076 1.819 ( -6.593 7.551 1.690) 10.166 1.933 ( -5.103 -3.442 0.047) 6.155 2.140 ( -0.039 4.599 -6.877) 8.273 2.214 ( -4.015 7.530 5.345) 10.070 2.241 ( 0.751 -3.811 -4.096) 5.645 2.381 ( -2.363 -7.334 2.204) 8.014 2.524 ( -1.993 4.810 -1.704) 5.478 2.637 ( -0.461 -4.853 -0.828) 4.944 2.869 ( 0.614 4.182 -1.366) 4.442 3.022 ( -0.738 -11.141 2.004) 11.343 3.396 ( 3.249 10.012 -1.791) 10.677 3.524 ( 3.533 -2.810 0.484) 4.540 4.023 ( -1.616 8.411 7.578) 11.436 4.191 ( -0.038 -7.788 7.070) 10.518 4.642 ( 4.171 6.060 -8.034) 10.893 4.736 ( 2.392 -3.438 -6.058) 7.365 4.881 ( 6.083 2.257 0.706) 6.527 4.986 ( 2.867 -8.347 1.353) 8.929 5.498 ( -0.165 1.245 -5.860) 5.993 5.537 ( -1.171 -2.582 -5.015) 5.761 5.990 ( -4.387 1.946 0.373) 4.814 6.047 ( -2.908 -2.917 -0.115) 4.121 6.316 ( -11.368 2.891 11.820) 16.653 6.378 ( -7.734 -4.091 10.490) 13.660 7.945 ( 2.862 0.122 -0.317) 2.882 7.966 ( 2.523 -1.773 -0.169) 3.088 8.059 ( 3.920 4.854 -4.934) 7.954 8.130 ( 3.360 -2.040 -4.451) 5.938 9.419 ( 8.549 4.871 1.950) 10.031 9.556 ( 9.408 -9.075 -1.351) 13.142 9.819 ( 8.223 6.945 3.761) 11.401 9.921 ( 13.357 -3.351 3.224) 14.143 10.138 ( -1.580 3.835 -1.899) 4.562 10.195 ( -3.126 -1.725 -2.037) 4.110 10.885 ( -2.306 3.494 10.848) 11.627 11.003 ( -5.108 -8.357 12.202) 15.647 11.666 ( -15.517 7.020 8.091) 18.856 11.752 ( -9.932 -2.015 4.636) 11.145 12.005 ( 5.834 8.634 3.686) 11.053 12.199 ( -3.449 -6.888 -0.048) 7.704 12.572 ( 9.962 5.322 -9.149) 14.536 12.650 ( 9.844 -2.201 -7.776) 12.737 13.106 ( 3.279 5.710 -13.255) 14.801 13.262 ( -1.013 -8.151 -11.137) 13.838 13.657 ( 1.283 0.467 3.899) 4.131 13.714 ( 1.366 -4.497 4.176) 6.287 14.260 ( -8.801 4.583 -7.632) 12.518 14.344 ( -6.566 -3.912 -11.055) 13.440 15.348 ( 4.800 2.454 2.451) 5.922 15.377 ( 5.618 -0.500 2.214) 6.059 16.230 ( -4.077 2.974 5.793) 7.683 16.278 ( -2.302 -2.039 3.508) 4.665 ======================= Grid point 189 (91/125) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.040 0.000 8.177) 8.177 0.934 ( -0.470 0.000 2.266) 2.315 1.193 ( -2.154 0.000 9.313) 9.559 1.244 ( -1.480 0.000 16.697) 16.762 1.473 ( 2.474 0.000 -13.468) 13.693 1.542 ( 0.786 0.000 -11.792) 11.818 1.747 ( 5.095 0.000 4.093) 6.535 1.794 ( -6.291 0.000 -1.466) 6.460 1.819 ( 1.524 0.000 4.908) 5.140 1.973 ( -8.807 0.000 -9.549) 12.990 1.983 ( -1.281 0.000 9.509) 9.594 2.157 ( 4.175 0.000 -7.322) 8.429 2.358 ( -5.729 0.000 14.172) 15.286 2.616 ( 2.825 0.000 -9.998) 10.389 2.632 ( 5.808 0.000 5.531) 8.021 2.800 ( 0.550 0.000 -11.425) 11.438 3.013 ( 6.088 0.000 1.792) 6.346 3.037 ( -2.299 0.000 0.034) 2.299 3.560 ( -3.903 0.000 11.036) 11.706 3.751 ( 0.800 0.000 -7.439) 7.482 3.829 ( -1.560 0.000 3.675) 3.992 3.903 ( 2.211 0.000 -4.586) 5.092 4.667 ( -3.625 0.000 5.728) 6.778 4.708 ( 0.407 0.000 1.494) 1.548 5.322 ( -8.106 0.000 4.712) 9.376 5.370 ( 3.908 0.000 -0.513) 3.942 5.564 ( -4.902 0.000 5.052) 7.039 5.738 ( 7.068 0.000 -11.752) 13.714 6.102 ( 2.943 0.000 -0.399) 2.970 6.116 ( -0.169 0.000 -2.286) 2.292 6.316 ( 9.450 0.000 3.215) 9.982 6.441 ( -8.383 0.000 -8.791) 12.148 7.743 ( -0.990 0.000 3.255) 3.402 7.782 ( -0.220 0.000 -0.762) 0.793 8.470 ( 2.435 0.000 1.346) 2.782 8.493 ( -3.178 0.000 -1.013) 3.335 8.837 ( -0.571 0.000 5.014) 5.046 8.929 ( 0.606 0.000 -4.209) 4.252 9.699 ( -17.948 0.000 7.438) 19.428 9.831 ( 12.213 0.000 -5.291) 13.309 10.415 ( -3.697 0.000 4.745) 6.015 10.507 ( 3.467 0.000 -4.263) 5.494 10.694 ( -5.313 0.000 16.747) 17.570 11.000 ( -0.346 0.000 -10.600) 10.606 11.273 ( 2.297 0.000 -0.308) 2.317 11.346 ( 5.063 0.000 -9.763) 10.998 12.027 ( -6.699 0.000 9.469) 11.599 12.125 ( 9.329 0.000 1.227) 9.410 12.841 ( 2.969 0.000 2.019) 3.590 12.858 ( -18.471 0.000 -5.291) 19.214 13.173 ( 3.341 0.000 7.127) 7.871 13.409 ( 10.216 0.000 -11.771) 15.585 13.749 ( 2.594 0.000 6.485) 6.985 13.906 ( -3.257 0.000 -9.573) 10.111 14.153 ( -15.265 0.000 9.218) 17.832 14.381 ( 17.880 0.000 -13.515) 22.413 15.098 ( -9.373 0.000 7.616) 12.077 15.219 ( 9.271 0.000 -4.414) 10.269 16.242 ( -6.905 0.000 7.639) 10.297 16.351 ( 4.785 0.000 -3.462) 5.906 ======================= Grid point 190 (92/125) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 8.833 0.000 6.097) 10.733 1.017 ( 8.860 0.000 -2.924) 9.330 1.272 ( -0.086 0.000 13.581) 13.581 1.335 ( 1.065 0.000 3.771) 3.919 1.435 ( -1.234 0.000 -11.886) 11.950 1.456 ( 3.683 0.000 -4.805) 6.054 1.690 ( -4.758 0.000 -3.258) 5.767 1.757 ( -4.926 0.000 -1.733) 5.222 1.775 ( -5.994 0.000 9.186) 10.968 1.947 ( 5.937 0.000 8.483) 10.354 2.140 ( 8.823 0.000 7.899) 11.842 2.182 ( 4.195 0.000 -9.844) 10.701 2.386 ( -1.739 0.000 10.689) 10.830 2.549 ( -1.251 0.000 -6.090) 6.217 2.774 ( 7.541 0.000 -14.590) 16.424 2.775 ( 3.895 0.000 3.044) 4.943 2.950 ( -4.319 0.000 -5.198) 6.758 3.092 ( 1.980 0.000 -1.718) 2.621 3.572 ( -5.382 0.000 12.772) 13.859 3.724 ( 2.784 0.000 -6.551) 7.118 3.797 ( -4.130 0.000 3.312) 5.294 3.896 ( 0.960 0.000 -5.162) 5.251 4.615 ( -7.344 0.000 7.103) 10.217 4.715 ( -0.885 0.000 0.552) 1.044 5.184 ( -9.372 0.000 5.524) 10.879 5.385 ( -3.225 0.000 -0.943) 3.360 5.494 ( -4.550 0.000 1.620) 4.830 5.677 ( -3.824 0.000 -5.126) 6.395 6.063 ( -3.162 0.000 3.366) 4.618 6.179 ( 5.540 0.000 -2.277) 5.990 6.428 ( 14.474 0.000 -15.026) 20.863 6.569 ( 10.665 0.000 6.901) 12.703 7.746 ( -1.373 0.000 3.963) 4.194 7.767 ( -0.413 0.000 -0.799) 0.899 8.353 ( -10.308 0.000 0.844) 10.343 8.475 ( -3.152 0.000 1.306) 3.412 8.833 ( -3.309 0.000 3.689) 4.956 8.862 ( -2.965 0.000 -3.161) 4.334 9.590 ( -3.561 0.000 10.430) 11.021 10.100 ( 16.181 0.000 -1.242) 16.229 10.397 ( -1.957 0.000 3.559) 4.061 10.550 ( 3.969 0.000 -1.537) 4.256 10.634 ( -13.061 0.000 12.934) 18.381 10.855 ( -5.327 0.000 -10.474) 11.751 11.273 ( -3.166 0.000 -5.324) 6.194 11.331 ( 3.010 0.000 -0.108) 3.012 11.927 ( -6.644 0.000 5.587) 8.681 12.228 ( 0.669 0.000 -11.962) 11.981 12.677 ( 0.154 0.000 11.515) 11.516 12.930 ( -3.036 0.000 11.813) 12.197 13.344 ( 9.259 0.000 0.956) 9.308 13.481 ( 10.786 0.000 -21.183) 23.771 13.782 ( -1.390 0.000 -8.415) 8.530 13.826 ( -0.953 0.000 8.189) 8.245 13.944 ( -11.768 0.000 9.059) 14.851 14.565 ( 12.855 0.000 -13.652) 18.752 14.977 ( -8.333 0.000 5.729) 10.112 15.323 ( 5.093 0.000 -4.927) 7.087 16.156 ( -8.100 0.000 8.406) 11.673 16.386 ( 1.688 0.000 -3.748) 4.110 ======================= Grid point 191 (93/125) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 9.103 0.000 -1.964) 9.312 1.222 ( 9.529 0.000 2.845) 9.944 1.322 ( -3.424 0.000 3.026) 4.569 1.360 ( 1.978 0.000 -3.755) 4.245 1.362 ( 2.754 0.000 -4.238) 5.055 1.472 ( -1.495 0.000 2.020) 2.513 1.651 ( 2.583 0.000 7.309) 7.752 1.767 ( 3.332 0.000 2.603) 4.228 1.780 ( -0.900 0.000 9.118) 9.162 2.097 ( 2.885 0.000 6.442) 7.058 2.167 ( 3.298 0.000 -9.685) 10.231 2.385 ( 8.916 0.000 9.078) 12.724 2.429 ( -1.636 0.000 3.590) 3.945 2.517 ( 1.849 0.000 -3.925) 4.339 2.773 ( -3.587 0.000 -6.052) 7.035 2.814 ( 7.104 0.000 -12.078) 14.012 2.860 ( -0.148 0.000 -0.420) 0.445 3.067 ( -1.755 0.000 -4.416) 4.752 3.525 ( -9.271 0.000 9.988) 13.628 3.741 ( 4.676 0.000 -9.131) 10.259 3.762 ( -4.003 0.000 7.881) 8.839 3.873 ( 2.660 0.000 -6.880) 7.376 4.511 ( -9.610 0.000 8.552) 12.864 4.666 ( -3.552 0.000 -2.460) 4.321 5.087 ( -5.016 0.000 4.839) 6.970 5.263 ( -5.766 0.000 -2.094) 6.135 5.445 ( -0.975 0.000 0.061) 0.977 5.584 ( -4.034 0.000 -0.340) 4.048 6.097 ( 1.313 0.000 6.805) 6.930 6.258 ( 4.938 0.000 -3.291) 5.935 6.626 ( 18.362 0.000 -16.356) 24.590 6.758 ( 2.182 0.000 7.663) 7.968 7.772 ( 0.606 0.000 5.399) 5.432 7.773 ( 2.104 0.000 -0.303) 2.125 8.165 ( -10.376 0.000 2.599) 10.697 8.370 ( -7.712 0.000 -1.243) 7.811 8.797 ( -2.810 0.000 2.837) 3.993 8.798 ( -1.791 0.000 -1.238) 2.178 9.647 ( -0.100 0.000 10.433) 10.434 10.224 ( -7.982 0.000 4.109) 8.978 10.396 ( -0.793 0.000 2.732) 2.845 10.476 ( -4.100 0.000 0.362) 4.116 10.660 ( -5.290 0.000 -9.279) 10.681 10.695 ( 8.961 0.000 0.545) 8.978 11.269 ( 3.815 0.000 5.853) 6.987 11.334 ( -3.212 0.000 1.936) 3.750 11.951 ( 2.179 0.000 8.357) 8.636 12.060 ( -2.648 0.000 -18.462) 18.651 12.844 ( 0.342 0.000 16.059) 16.063 12.868 ( -9.852 0.000 5.745) 11.405 13.390 ( -5.789 0.000 2.813) 6.436 13.465 ( 7.876 0.000 -24.764) 25.987 13.767 ( 8.938 0.000 -12.403) 15.288 13.791 ( -8.560 0.000 12.695) 15.311 14.031 ( 9.648 0.000 8.633) 12.946 14.654 ( 7.404 0.000 -11.835) 13.960 14.903 ( -3.312 0.000 4.529) 5.611 15.315 ( -1.508 0.000 -5.939) 6.127 16.096 ( -5.402 0.000 9.067) 10.555 16.356 ( -0.842 0.000 -5.077) 5.146 ======================= Grid point 192 (94/125) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -5.750 0.000 6.189) 8.448 1.307 ( -2.382 0.000 0.575) 2.450 1.365 ( 0.701 0.000 -3.339) 3.412 1.368 ( 8.405 0.000 -5.996) 10.325 1.427 ( 5.475 0.000 1.870) 5.785 1.501 ( 2.309 0.000 2.281) 3.246 1.828 ( 5.077 0.000 10.302) 11.485 1.857 ( 1.960 0.000 6.343) 6.639 1.893 ( 5.451 0.000 6.541) 8.515 2.138 ( -1.770 0.000 -0.039) 1.770 2.168 ( 4.958 0.000 -7.870) 9.302 2.318 ( -9.518 0.000 -2.615) 9.870 2.564 ( 6.326 0.000 -2.488) 6.798 2.572 ( -0.924 0.000 5.333) 5.413 2.679 ( 2.338 0.000 -0.773) 2.462 2.828 ( 2.128 0.000 -7.012) 7.328 2.877 ( 1.237 0.000 -2.191) 2.516 2.964 ( -4.491 0.000 -6.115) 7.587 3.438 ( -6.897 0.000 10.797) 12.812 3.708 ( 0.668 0.000 -11.478) 11.498 3.746 ( -6.129 0.000 10.795) 12.414 3.922 ( 8.906 0.000 -9.671) 13.146 4.428 ( -4.889 0.000 7.349) 8.827 4.570 ( -2.133 0.000 -4.674) 5.137 5.069 ( -1.254 0.000 5.038) 5.192 5.181 ( -0.971 0.000 -2.933) 3.089 5.459 ( 2.292 0.000 -0.125) 2.296 5.509 ( -3.960 0.000 0.552) 3.998 6.177 ( 0.807 0.000 6.539) 6.588 6.304 ( 2.965 0.000 -4.182) 5.127 6.761 ( -7.951 0.000 7.378) 10.846 6.829 ( 15.367 0.000 -14.247) 20.955 7.848 ( 5.286 0.000 0.714) 5.334 7.866 ( 4.082 0.000 6.601) 7.761 8.009 ( -8.420 0.000 2.780) 8.867 8.189 ( -8.585 0.000 -3.415) 9.239 8.775 ( -1.786 0.000 2.378) 2.974 8.783 ( 0.891 0.000 -0.146) 0.903 9.758 ( 3.987 0.000 9.902) 10.675 10.014 ( -13.028 0.000 3.426) 13.471 10.395 ( -1.997 0.000 2.263) 3.018 10.451 ( 1.987 0.000 -5.276) 5.638 10.575 ( 2.028 0.000 -1.891) 2.773 10.753 ( -2.543 0.000 -4.867) 5.491 11.344 ( 0.872 0.000 10.984) 11.018 11.510 ( 14.397 0.000 9.900) 17.473 11.860 ( -2.013 0.000 -20.497) 20.595 11.961 ( -9.739 0.000 2.165) 9.977 12.795 ( 1.637 0.000 4.599) 4.881 12.862 ( -11.035 0.000 13.940) 17.779 13.275 ( -7.823 0.000 3.590) 8.608 13.452 ( 11.987 0.000 -23.536) 26.413 13.708 ( -11.945 0.000 14.418) 18.723 13.890 ( 14.808 0.000 -15.645) 21.541 14.295 ( 8.664 0.000 9.260) 12.681 14.646 ( 0.658 0.000 -10.610) 10.630 14.928 ( 1.504 0.000 5.614) 5.812 15.187 ( -5.793 0.000 -6.593) 8.776 16.094 ( -2.772 0.000 9.407) 9.807 16.292 ( -0.790 0.000 -5.914) 5.967 ======================= Grid point 193 (95/125) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -7.235 0.000 8.824) 11.411 1.203 ( -10.672 0.000 6.398) 12.443 1.360 ( 2.719 0.000 -5.513) 6.147 1.460 ( 5.625 0.000 -5.775) 8.062 1.491 ( -3.876 0.000 -2.461) 4.592 1.512 ( 0.506 0.000 0.356) 0.618 1.898 ( -0.909 0.000 2.405) 2.571 1.929 ( -0.130 0.000 4.353) 4.354 2.035 ( -6.649 0.000 -2.804) 7.216 2.072 ( 5.801 0.000 7.589) 9.552 2.087 ( -9.779 0.000 -6.508) 11.747 2.281 ( 10.848 0.000 -1.900) 11.013 2.476 ( -7.921 0.000 4.590) 9.155 2.674 ( 5.098 0.000 -6.064) 7.922 2.777 ( -4.492 0.000 -6.151) 7.617 2.783 ( -0.568 0.000 -0.945) 1.102 2.844 ( 0.031 0.000 -0.316) 0.317 2.859 ( 1.880 0.000 2.129) 2.840 3.454 ( -3.092 0.000 14.473) 14.799 3.631 ( 1.576 0.000 -9.599) 9.727 3.713 ( -5.026 0.000 9.604) 10.840 4.000 ( 7.622 0.000 -12.712) 14.822 4.458 ( 2.217 0.000 5.953) 6.352 4.551 ( 4.016 0.000 -4.334) 5.908 5.113 ( 1.480 0.000 5.226) 5.431 5.169 ( 3.377 0.000 -5.930) 6.824 5.453 ( -1.958 0.000 0.508) 2.023 5.519 ( 3.934 0.000 -0.344) 3.949 6.217 ( -1.398 0.000 4.592) 4.800 6.299 ( 0.504 0.000 -5.361) 5.385 6.596 ( -15.234 0.000 7.905) 17.163 6.957 ( 8.606 0.000 -11.754) 14.568 7.857 ( -6.675 0.000 0.120) 6.676 7.922 ( -1.767 0.000 -0.219) 1.780 8.057 ( 6.799 0.000 9.910) 12.018 8.068 ( 2.727 0.000 -2.408) 3.638 8.765 ( -0.953 0.000 1.566) 1.833 8.819 ( 3.175 0.000 -1.645) 3.576 9.845 ( -6.699 0.000 1.071) 6.784 9.975 ( 11.185 0.000 7.750) 13.608 10.384 ( 0.518 0.000 1.711) 1.787 10.459 ( 2.980 0.000 -4.325) 5.253 10.603 ( -6.616 0.000 -4.412) 7.952 10.662 ( 4.074 0.000 3.573) 5.419 11.507 ( 4.071 0.000 13.429) 14.032 11.658 ( -2.227 0.000 -19.860) 19.984 11.685 ( -13.350 0.000 -5.932) 14.609 11.918 ( 18.807 0.000 6.602) 19.932 12.713 ( -11.829 0.000 10.844) 16.048 12.937 ( 0.520 0.000 15.446) 15.455 13.182 ( -0.338 0.000 -5.098) 5.109 13.522 ( 12.610 0.000 -19.582) 23.291 13.579 ( -12.794 0.000 13.720) 18.760 14.040 ( 13.724 0.000 -16.884) 21.758 14.457 ( 0.245 0.000 8.962) 8.966 14.490 ( -7.988 0.000 -11.090) 13.667 15.035 ( -4.157 0.000 -5.238) 6.687 15.036 ( 3.438 0.000 8.326) 9.007 16.136 ( -1.058 0.000 9.975) 10.031 16.244 ( 0.854 0.000 -5.843) 5.905 ======================= Grid point 194 (96/125) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -13.658 0.000 9.175) 16.453 1.081 ( -9.222 0.000 11.834) 15.003 1.320 ( -9.410 0.000 1.979) 9.615 1.382 ( -7.412 0.000 -4.787) 8.823 1.415 ( 4.981 0.000 -5.237) 7.228 1.543 ( 3.550 0.000 -1.964) 4.057 1.833 ( -6.623 0.000 -5.918) 8.881 1.873 ( -5.098 0.000 -9.728) 10.983 1.917 ( 3.496 0.000 -4.156) 5.431 1.971 ( -4.498 0.000 9.824) 10.805 2.160 ( -0.560 0.000 -0.304) 0.638 2.395 ( -6.465 0.000 8.963) 11.051 2.478 ( 5.230 0.000 -0.915) 5.309 2.592 ( -2.080 0.000 -7.724) 7.999 2.658 ( -8.073 0.000 0.276) 8.078 2.660 ( -0.643 0.000 -1.113) 1.285 2.924 ( 4.964 0.000 -3.524) 6.088 2.964 ( 2.745 0.000 5.860) 6.471 3.512 ( -3.186 0.000 13.685) 14.051 3.652 ( 6.677 0.000 -5.269) 8.505 3.732 ( -0.130 0.000 6.944) 6.946 3.993 ( 2.809 0.000 -12.917) 13.218 4.572 ( 3.552 0.000 6.142) 7.095 4.621 ( 4.895 0.000 -2.021) 5.296 5.208 ( 4.375 0.000 4.792) 6.489 5.216 ( 7.191 0.000 -7.968) 10.733 5.466 ( 4.941 0.000 -2.502) 5.539 5.587 ( 2.995 0.000 -0.232) 3.004 6.200 ( -3.296 0.000 2.676) 4.246 6.239 ( -1.622 0.000 -7.281) 7.460 6.349 ( -16.766 0.000 10.102) 19.574 6.944 ( -1.064 0.000 -10.808) 10.860 7.756 ( -4.034 0.000 1.611) 4.344 7.838 ( -3.331 0.000 -1.536) 3.668 8.200 ( 9.264 0.000 -0.732) 9.293 8.282 ( 8.627 0.000 7.846) 11.661 8.768 ( -0.029 0.000 1.854) 1.855 8.862 ( 3.507 0.000 -3.530) 4.976 9.764 ( -2.383 0.000 -0.949) 2.565 10.194 ( 2.080 0.000 4.854) 5.281 10.481 ( 1.603 0.000 -6.047) 6.256 10.516 ( 0.014 0.000 4.821) 4.821 10.532 ( 17.811 0.000 -1.995) 17.923 10.686 ( -6.105 0.000 1.323) 6.247 11.401 ( -7.840 0.000 -6.791) 10.372 11.469 ( -3.637 0.000 -12.792) 13.299 11.736 ( 6.146 0.000 13.342) 14.690 12.097 ( -1.576 0.000 -5.679) 5.894 12.812 ( 13.900 0.000 11.812) 18.241 12.973 ( -10.658 0.000 20.410) 23.025 13.162 ( 1.789 0.000 -11.092) 11.235 13.514 ( -2.568 0.000 11.431) 11.716 13.572 ( 5.314 0.000 -15.323) 16.218 14.101 ( 6.437 0.000 -16.085) 17.325 14.222 ( -7.827 0.000 -12.158) 14.460 14.455 ( -7.272 0.000 8.622) 11.279 14.979 ( 2.432 0.000 -3.216) 4.032 15.154 ( 0.294 0.000 9.895) 9.899 16.209 ( -0.003 0.000 9.959) 9.959 16.237 ( 3.224 0.000 -5.353) 6.249 ======================= Grid point 195 (97/125) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -10.047 0.000 10.491) 14.526 0.990 ( -9.242 0.000 9.842) 13.501 1.197 ( -6.987 0.000 11.506) 13.461 1.224 ( -5.665 0.000 0.456) 5.683 1.498 ( 5.507 0.000 -5.257) 7.614 1.577 ( 2.804 0.000 -5.762) 6.408 1.693 ( -1.979 0.000 -4.208) 4.650 1.770 ( 0.762 0.000 -4.030) 4.102 1.919 ( -1.073 0.000 -5.838) 5.936 1.974 ( -4.088 0.000 10.490) 11.258 2.091 ( -1.025 0.000 -5.530) 5.624 2.297 ( -9.985 0.000 -8.292) 12.980 2.364 ( -6.361 0.000 13.254) 14.701 2.555 ( -3.450 0.000 4.898) 5.991 2.614 ( 5.299 0.000 -10.802) 12.032 2.786 ( 7.066 0.000 5.644) 9.043 2.934 ( 1.816 0.000 -7.152) 7.379 3.036 ( 0.487 0.000 4.072) 4.101 3.545 ( -3.684 0.000 11.154) 11.746 3.748 ( 5.699 0.000 -4.399) 7.199 3.796 ( 1.034 0.000 5.102) 5.206 3.926 ( 0.827 0.000 -10.068) 10.102 4.657 ( -0.042 0.000 5.980) 5.980 4.679 ( 1.873 0.000 0.487) 1.936 5.292 ( 5.817 0.000 -4.032) 7.078 5.334 ( 3.163 0.000 4.880) 5.816 5.604 ( -2.511 0.000 2.663) 3.661 5.605 ( 14.079 0.000 -10.682) 17.673 6.117 ( -5.646 0.000 0.785) 5.700 6.149 ( -3.089 0.000 0.836) 3.200 6.223 ( -1.576 0.000 1.647) 2.280 6.739 ( -11.083 0.000 -10.150) 15.029 7.732 ( -0.850 0.000 2.790) 2.916 7.793 ( -0.634 0.000 -0.989) 1.175 8.365 ( 7.831 0.000 -0.045) 7.831 8.466 ( 5.312 0.000 2.573) 5.903 8.795 ( 0.622 0.000 3.614) 3.668 8.903 ( 3.958 0.000 -3.533) 5.305 9.739 ( 2.451 0.000 -4.004) 4.695 10.077 ( -17.982 0.000 0.297) 17.984 10.481 ( 2.949 0.000 -4.525) 5.401 10.494 ( -9.920 0.000 2.893) 10.333 10.606 ( 1.127 0.000 11.637) 11.691 10.906 ( 22.002 0.000 -11.840) 24.985 11.274 ( -1.423 0.000 -3.519) 3.796 11.333 ( -3.936 0.000 -0.806) 4.018 11.951 ( 3.918 0.000 13.641) 14.192 12.024 ( 1.822 0.000 -4.254) 4.628 12.883 ( -7.170 0.000 1.382) 7.302 13.110 ( -2.946 0.000 7.241) 7.818 13.132 ( 9.344 0.000 -6.971) 11.658 13.397 ( -10.826 0.000 -5.126) 11.979 13.626 ( 4.565 0.000 6.583) 8.011 14.045 ( -1.605 0.000 -13.327) 13.423 14.153 ( 14.066 0.000 -11.975) 18.473 14.340 ( -12.052 0.000 9.117) 15.112 15.070 ( 8.969 0.000 -3.583) 9.659 15.180 ( -5.721 0.000 9.270) 10.893 16.268 ( -2.268 0.000 8.386) 8.687 16.281 ( 5.326 0.000 -4.372) 6.891 ======================= Grid point 196 (98/125) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -4.363 -1.416 11.259) 12.157 0.949 ( 1.824 2.207 3.891) 4.831 1.115 ( -1.887 -0.764 2.472) 3.203 1.293 ( -0.038 -5.609 -4.517) 7.202 1.416 ( 2.535 2.832 1.681) 4.156 1.559 ( -1.075 -0.400 -4.789) 4.924 1.732 ( 3.894 -1.545 3.161) 5.248 1.796 ( -2.750 -0.956 -2.861) 4.082 1.823 ( -1.436 -0.295 4.364) 4.603 1.947 ( -7.993 -2.062 -5.496) 9.917 2.021 ( 0.619 3.931 6.520) 7.639 2.151 ( 4.838 0.104 -5.554) 7.366 2.452 ( -5.481 6.644 12.014) 14.782 2.611 ( 4.972 -1.161 4.253) 6.645 2.666 ( 2.398 3.345 -6.971) 8.096 2.768 ( -0.571 -4.935 -10.328) 11.461 2.925 ( 3.274 -5.974 3.918) 7.858 2.991 ( 0.426 -2.914 -2.223) 3.690 3.531 ( -3.569 -2.506 8.323) 9.396 3.679 ( 0.454 -7.024 -5.900) 9.185 3.861 ( -1.523 2.937 4.487) 5.575 3.957 ( 2.473 4.997 -5.515) 7.842 4.655 ( -2.898 -0.963 6.241) 6.948 4.719 ( 0.390 0.806 0.072) 0.898 5.265 ( -2.884 -4.999 4.074) 7.064 5.326 ( -0.801 -4.374 -1.239) 4.616 5.551 ( -5.046 -1.509 3.406) 6.272 5.695 ( 8.825 -4.617 -10.293) 14.323 6.019 ( 0.477 -5.690 0.808) 5.767 6.060 ( 0.837 -3.400 -3.335) 4.835 6.331 ( -3.554 2.701 10.855) 11.737 6.572 ( 3.593 7.073 -12.916) 15.158 7.756 ( -2.299 1.490 4.151) 4.974 7.816 ( 0.978 3.174 -1.997) 3.876 8.275 ( -1.249 -10.935 4.530) 11.902 8.356 ( 1.075 -9.912 -3.442) 10.547 9.135 ( -1.462 20.922 0.492) 20.979 9.148 ( 2.132 17.233 -0.695) 17.378 9.712 ( -18.027 1.174 6.455) 19.183 9.839 ( 12.539 0.583 -5.539) 13.720 10.367 ( -1.514 -4.734 5.486) 7.402 10.457 ( 1.176 -5.334 -4.302) 6.952 10.718 ( -7.672 3.707 12.838) 15.408 10.973 ( 6.633 -0.353 -10.789) 12.670 11.359 ( -8.703 7.108 3.798) 11.861 11.466 ( 10.498 9.442 -7.118) 15.812 12.021 ( -6.882 -0.573 7.333) 10.073 12.107 ( 9.098 -0.766 -0.535) 9.146 12.794 ( -12.170 -5.891 5.239) 14.500 12.840 ( -0.399 -1.182 -2.706) 2.980 13.103 ( 0.747 -5.523 1.554) 5.786 13.271 ( 10.771 -11.040 -9.162) 17.939 13.816 ( 0.422 4.371 3.854) 5.843 13.940 ( -1.960 1.922 -8.602) 9.029 14.110 ( -13.858 -3.828 7.299) 16.124 14.295 ( 16.559 -7.239 -10.364) 20.833 15.163 ( -7.514 5.607 5.773) 11.010 15.262 ( 8.049 4.097 -3.969) 9.865 16.248 ( -6.511 0.575 7.920) 10.269 16.360 ( 4.607 0.592 -3.516) 5.825 ======================= Grid point 197 (99/125) ======================= q-point: ( 0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 6.036 -4.116 6.777) 9.965 1.069 ( 7.904 0.477 0.187) 7.921 1.156 ( 1.869 -4.425 8.104) 9.421 1.245 ( 1.281 -3.312 -5.321) 6.397 1.457 ( -1.789 1.887 -5.321) 5.922 1.547 ( 3.286 0.465 2.319) 4.049 1.718 ( -1.522 1.383 -2.599) 3.314 1.751 ( -5.549 0.716 -1.758) 5.864 1.791 ( -3.445 2.009 7.299) 8.318 1.929 ( 5.181 -1.954 7.444) 9.277 2.150 ( 7.998 0.371 2.719) 8.456 2.192 ( 4.445 1.483 -7.189) 8.581 2.465 ( -3.249 6.683 8.724) 11.460 2.581 ( -1.410 2.172 -2.788) 3.805 2.729 ( 4.612 -5.158 -11.613) 13.518 2.766 ( 4.224 -2.140 2.972) 5.591 2.906 ( -1.886 -2.304 -4.872) 5.709 3.012 ( 1.127 -5.461 -2.408) 6.074 3.530 ( -4.906 -3.990 10.716) 12.442 3.665 ( 2.828 -5.773 -4.585) 7.897 3.837 ( -3.932 3.506 3.753) 6.468 3.955 ( 1.991 5.591 -6.057) 8.480 4.613 ( -7.155 -0.197 6.997) 10.010 4.716 ( -0.829 0.013 -0.613) 1.031 5.129 ( -8.341 -4.901 2.453) 9.980 5.351 ( -1.792 -3.423 1.041) 4.001 5.470 ( -4.926 -2.152 0.986) 5.466 5.666 ( -3.221 -1.250 -4.551) 5.714 6.032 ( -0.984 -2.358 1.338) 2.885 6.123 ( 8.566 -5.705 -1.364) 10.382 6.400 ( 6.913 0.847 0.720) 7.002 6.674 ( 11.241 5.962 -5.664) 13.928 7.742 ( -2.620 0.122 4.714) 5.394 7.812 ( 0.372 3.810 -1.703) 4.190 8.238 ( -6.025 -7.608 3.650) 10.368 8.322 ( -1.780 -10.408 -2.957) 10.965 9.012 ( -9.335 15.734 1.958) 18.400 9.111 ( -4.610 17.244 -1.045) 17.880 9.588 ( -4.449 -0.198 10.071) 11.012 10.075 ( 10.121 -2.613 -2.194) 10.681 10.413 ( 4.353 -4.309 5.398) 8.164 10.451 ( 0.574 -4.461 -4.013) 6.028 10.624 ( -9.912 2.650 9.555) 14.020 10.932 ( -1.250 4.493 -9.288) 10.393 11.223 ( -8.061 5.002 2.853) 9.906 11.592 ( 7.239 15.257 -3.001) 17.152 11.891 ( -7.795 -2.696 3.958) 9.149 12.220 ( 1.690 -0.731 -10.864) 11.019 12.626 ( -3.464 -4.779 12.168) 13.524 12.894 ( -3.326 -4.046 9.712) 11.035 13.206 ( 9.013 -10.666 -6.554) 15.426 13.406 ( 11.683 -7.005 -12.675) 18.607 13.837 ( -3.766 0.780 7.208) 8.170 13.865 ( -0.353 5.410 -4.943) 7.337 13.920 ( -7.600 -1.797 5.290) 9.433 14.483 ( 12.210 -6.858 -11.029) 17.826 15.049 ( -7.407 6.126 3.466) 10.218 15.356 ( 4.362 3.066 -4.214) 6.796 16.174 ( -7.317 1.616 8.107) 11.039 16.393 ( 1.748 0.512 -3.789) 4.204 ======================= Grid point 198 (100/125) ======================= q-point: ( 0.29 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 8.910 -4.253 1.793) 10.034 1.191 ( 9.371 -2.642 -7.919) 12.550 1.295 ( 3.606 2.652 4.923) 6.654 1.316 ( 4.613 -5.225 13.320) 15.034 1.395 ( -1.346 0.827 -1.135) 1.945 1.560 ( 0.365 4.545 -3.625) 5.825 1.654 ( -4.046 1.953 2.668) 5.225 1.726 ( 2.600 -0.574 1.924) 3.285 1.853 ( 2.175 4.001 6.855) 8.230 2.059 ( 3.651 -4.033 1.459) 5.632 2.200 ( 3.774 2.407 -6.555) 7.938 2.329 ( 3.164 -3.792 5.091) 7.092 2.438 ( 0.178 0.279 -0.395) 0.515 2.590 ( 0.862 3.716 -0.838) 3.906 2.710 ( 1.800 -3.627 -7.496) 8.520 2.834 ( 0.391 -0.620 4.695) 4.752 2.854 ( 2.719 1.293 -9.279) 9.756 2.965 ( -2.785 -7.930 -4.277) 9.431 3.497 ( -7.681 -3.118 10.915) 13.706 3.709 ( 6.287 -4.363 -6.772) 10.219 3.800 ( -3.983 3.689 6.231) 8.265 3.933 ( 1.666 6.474 -7.920) 10.364 4.509 ( -9.308 -0.328 7.990) 12.272 4.663 ( -3.374 -0.424 -3.006) 4.539 5.042 ( -2.382 -3.938 1.587) 4.868 5.267 ( -6.217 0.110 0.175) 6.221 5.405 ( -1.536 -3.739 0.498) 4.073 5.579 ( -3.914 -0.710 -0.709) 4.041 6.084 ( 2.865 -1.129 5.516) 6.317 6.252 ( 5.724 -1.049 -1.688) 6.059 6.573 ( 12.946 -2.821 -6.658) 14.828 6.807 ( 4.313 2.748 -1.190) 5.251 7.744 ( -1.175 -1.221 5.580) 5.832 7.823 ( 2.570 3.150 -1.136) 4.221 8.128 ( -7.605 -2.768 2.969) 8.621 8.240 ( -4.537 -9.145 -2.724) 10.566 8.896 ( -5.525 10.085 4.358) 12.297 8.998 ( -5.124 14.255 -1.369) 15.210 9.614 ( -2.249 -3.218 10.490) 11.201 10.056 ( -8.102 -10.702 -0.018) 13.423 10.386 ( -2.489 -6.076 -5.308) 8.443 10.450 ( -6.154 -0.941 3.210) 7.004 10.757 ( 13.914 13.759 3.561) 19.890 10.858 ( 0.857 4.576 0.731) 4.712 11.128 ( -2.811 2.994 1.099) 4.251 11.610 ( -5.508 14.670 3.250) 16.003 11.918 ( 4.750 -2.471 5.959) 8.011 12.061 ( -2.341 0.272 -18.616) 18.765 12.662 ( -9.831 -11.630 14.214) 20.831 12.915 ( 1.191 -1.932 4.360) 4.916 13.250 ( 2.294 -10.225 -7.062) 12.636 13.448 ( 2.819 -2.783 -11.407) 12.076 13.782 ( -4.473 -0.417 7.202) 8.488 13.840 ( 1.726 4.512 -3.665) 6.064 14.036 ( 10.269 0.960 6.296) 12.084 14.587 ( 7.918 -5.705 -10.170) 14.095 14.964 ( -3.716 5.159 2.686) 6.902 15.340 ( -2.027 2.325 -5.432) 6.246 16.124 ( -4.622 2.689 8.331) 9.900 16.366 ( -0.647 0.971 -4.761) 4.902 ======================= Grid point 199 (101/125) ======================= q-point: ( 0.43 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 3.111 2.863 2.647) 4.988 1.304 ( 4.118 0.424 -4.797) 6.337 1.347 ( -2.322 1.605 6.800) 7.362 1.416 ( 3.300 1.945 2.380) 4.510 1.483 ( 3.100 0.365 5.912) 6.685 1.550 ( 1.925 7.805 -5.834) 9.933 1.700 ( 6.390 -8.762 6.045) 12.415 1.806 ( 1.847 -2.976 4.568) 5.757 1.939 ( 0.460 2.022 5.747) 6.109 2.085 ( 0.247 -5.566 -4.474) 7.146 2.187 ( -1.934 -2.921 -2.930) 4.567 2.288 ( -1.831 2.154 -3.891) 4.810 2.535 ( 3.937 -2.906 1.331) 5.071 2.593 ( 0.340 -0.378 -2.076) 2.137 2.681 ( 0.349 0.953 2.431) 2.634 2.823 ( 0.130 -1.555 -6.175) 6.369 2.852 ( -2.283 -2.334 -3.220) 4.586 2.886 ( -0.124 -4.707 -3.168) 5.675 3.456 ( -5.715 0.796 13.184) 14.391 3.748 ( 0.679 1.977 -6.851) 7.163 3.779 ( -1.715 1.718 3.685) 4.413 3.917 ( 4.966 2.496 -8.182) 9.891 4.429 ( -4.686 0.005 6.897) 8.338 4.570 ( -1.612 -0.141 -5.165) 5.412 5.049 ( -0.511 -2.007 4.559) 5.007 5.172 ( -1.642 -0.879 -3.062) 3.584 5.422 ( 2.488 -3.415 0.575) 4.264 5.501 ( -3.632 -1.059 -0.641) 3.837 6.185 ( 1.798 0.717 6.253) 6.545 6.309 ( 2.446 0.533 -2.940) 3.861 6.725 ( 0.934 -3.137 2.115) 3.897 6.823 ( 4.815 -0.549 -8.077) 9.420 7.794 ( 1.363 -3.024 6.185) 7.018 7.894 ( 5.096 0.295 -1.232) 5.251 8.017 ( -6.384 0.744 3.173) 7.168 8.119 ( -4.932 -5.134 -3.284) 7.840 8.855 ( -2.995 8.402 4.977) 10.215 8.930 ( -0.453 11.251 -1.608) 11.374 9.676 ( 0.801 -7.578 10.078) 12.635 9.891 ( -7.605 -10.542 0.015) 12.999 10.311 ( -2.155 -6.446 -2.226) 7.152 10.352 ( -2.758 1.444 -2.597) 4.054 10.856 ( 2.680 16.877 2.279) 17.240 11.001 ( -1.308 17.708 0.973) 17.782 11.227 ( 13.016 -6.262 5.775) 15.556 11.582 ( 0.297 3.124 8.992) 9.523 11.821 ( -8.005 -1.645 -13.466) 15.752 11.970 ( -2.968 0.595 -7.557) 8.140 12.618 ( -4.356 -11.692 15.524) 19.917 12.919 ( -1.820 -1.436 -1.460) 2.740 13.234 ( -3.813 -2.879 3.862) 6.144 13.410 ( 7.482 -3.533 -16.618) 18.564 13.725 ( -10.740 1.530 14.063) 17.761 13.919 ( 13.277 2.418 -14.533) 19.833 14.283 ( 7.299 -1.117 9.224) 11.815 14.611 ( 2.587 -3.327 -10.488) 11.303 14.961 ( 0.445 3.118 5.020) 5.926 15.210 ( -5.682 2.129 -6.602) 8.967 16.128 ( -2.292 3.251 8.518) 9.401 16.309 ( -0.842 1.578 -5.256) 5.552 ======================= Grid point 200 (102/125) ======================= q-point: (-0.43 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -9.406 3.408 3.815) 10.707 1.243 ( -7.543 4.730 4.760) 10.096 1.417 ( 2.422 4.820 -0.611) 5.429 1.482 ( 1.357 0.166 -0.310) 1.402 1.516 ( 0.636 5.055 -2.473) 5.663 1.541 ( 0.503 3.749 -4.440) 5.833 1.798 ( -3.628 -8.836 -1.052) 9.609 1.877 ( 3.194 -9.544 0.861) 10.101 1.952 ( -2.316 -1.757 4.457) 5.321 2.028 ( 0.421 -4.678 -2.406) 5.277 2.113 ( -5.175 1.556 3.753) 6.580 2.296 ( 6.553 0.834 -5.508) 8.601 2.453 ( -9.718 -2.369 5.154) 11.252 2.672 ( 5.280 -1.758 -5.654) 7.933 2.728 ( -3.189 -1.825 0.361) 3.692 2.779 ( 1.847 -3.040 0.101) 3.559 2.823 ( 0.694 -1.208 -0.248) 1.415 2.830 ( -0.217 -1.091 -2.383) 2.630 3.483 ( -4.557 1.367 15.448) 16.164 3.668 ( -1.725 3.397 -5.146) 6.403 3.771 ( -0.905 4.432 2.121) 4.996 3.976 ( 7.152 -0.886 -10.525) 12.756 4.449 ( 1.296 -0.999 5.800) 6.026 4.559 ( 4.751 0.675 -5.000) 6.931 5.046 ( -3.154 -4.758 4.399) 7.207 5.198 ( 7.203 0.882 -4.708) 8.650 5.439 ( -1.791 -1.713 -1.234) 2.768 5.494 ( 4.543 -2.155 0.060) 5.029 6.223 ( -2.555 0.728 4.066) 4.857 6.309 ( 0.933 1.026 -4.179) 4.403 6.594 ( -14.509 0.030 6.844) 16.042 6.902 ( 6.624 -5.111 -8.218) 11.727 7.849 ( -2.010 -3.245 3.139) 4.942 7.890 ( -2.805 0.189 -3.050) 4.148 7.999 ( 0.731 -3.234 5.417) 6.351 8.090 ( 5.661 0.058 -1.193) 5.785 8.864 ( -0.008 9.110 4.659) 10.232 8.945 ( 3.535 10.526 -3.424) 11.620 9.783 ( -2.284 -6.355 0.641) 6.783 9.824 ( 5.901 -12.178 5.632) 14.657 10.277 ( -0.738 -7.078 0.582) 7.140 10.348 ( 4.851 0.722 -1.476) 5.122 10.863 ( -6.273 19.428 2.336) 20.549 10.997 ( 5.340 19.026 -1.207) 19.798 11.447 ( -13.130 -9.187 -9.588) 18.675 11.495 ( 4.097 -1.236 8.738) 9.729 11.835 ( 2.079 6.089 -10.600) 12.400 11.857 ( 13.286 -4.901 3.506) 14.589 12.606 ( -11.332 -9.605 16.785) 22.414 12.932 ( 2.913 -2.879 1.135) 4.250 13.155 ( -3.971 -1.954 -0.661) 4.475 13.469 ( 8.531 -3.052 -11.707) 14.804 13.631 ( -8.011 3.281 10.120) 13.317 14.055 ( 13.158 1.459 -16.737) 21.340 14.400 ( -4.362 -4.441 7.947) 10.095 14.497 ( -4.416 -0.281 -9.623) 10.592 15.059 ( 1.828 2.202 4.757) 5.552 15.070 ( -1.040 3.115 -2.232) 3.971 16.167 ( -1.136 2.992 9.105) 9.651 16.262 ( 0.461 1.731 -5.070) 5.377 ======================= Grid point 201 (103/125) ======================= q-point: (-0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -12.433 2.115 6.779) 14.318 1.102 ( -10.225 1.637 3.539) 10.944 1.339 ( -8.399 2.091 0.739) 8.687 1.419 ( -7.265 2.939 -2.295) 8.166 1.512 ( 3.235 5.381 -1.359) 6.424 1.543 ( 1.789 1.796 -5.489) 6.046 1.723 ( -1.662 -7.950 -6.271) 10.261 1.802 ( -3.227 -3.616 -5.078) 7.020 1.925 ( -2.223 -1.178 3.845) 4.595 2.026 ( -1.500 3.087 0.960) 3.564 2.136 ( 0.078 -2.402 0.957) 2.587 2.320 ( -9.180 -4.939 7.019) 12.567 2.407 ( 6.268 -8.145 0.451) 10.288 2.606 ( -5.389 2.717 -1.299) 6.174 2.689 ( -0.268 3.369 -0.415) 3.405 2.712 ( -3.186 2.364 -3.265) 5.138 2.866 ( 1.937 -8.685 3.941) 9.733 2.933 ( 5.298 1.115 -1.912) 5.742 3.513 ( -3.854 -0.681 12.381) 12.984 3.653 ( 4.165 0.279 -4.590) 6.204 3.791 ( -0.015 3.821 4.406) 5.832 3.988 ( 3.325 1.299 -10.722) 11.301 4.548 ( 3.278 -2.277 5.717) 6.972 4.636 ( 5.384 1.232 -2.390) 6.018 5.051 ( 2.343 -8.336 1.112) 8.730 5.320 ( 8.117 3.265 -4.474) 9.826 5.432 ( 3.610 -3.610 -2.273) 5.589 5.577 ( 3.787 -0.899 -0.548) 3.931 6.164 ( -4.528 -1.586 -0.359) 4.811 6.252 ( -5.962 -0.748 -3.330) 6.870 6.377 ( -11.753 3.255 9.002) 15.158 6.895 ( -1.475 -4.895 -6.825) 8.528 7.794 ( -3.666 2.368 1.851) 4.741 7.828 ( -0.896 0.408 -2.885) 3.048 8.106 ( 4.426 -6.803 5.515) 9.812 8.220 ( 7.368 -4.505 -0.859) 8.679 8.933 ( 3.751 11.518 3.736) 12.676 8.996 ( 5.099 12.878 -4.033) 14.426 9.746 ( -0.237 -1.834 -2.360) 2.998 10.006 ( 6.607 -12.680 4.353) 14.946 10.286 ( -0.130 -9.411 3.579) 10.069 10.522 ( 14.346 -1.629 -2.670) 14.683 10.755 ( -6.433 19.314 2.025) 20.458 11.019 ( -11.805 11.965 -12.526) 20.962 11.129 ( 1.837 -2.855 -0.170) 3.399 11.662 ( 2.074 3.385 5.988) 7.185 11.818 ( 5.238 10.175 -2.661) 11.749 12.011 ( -2.162 -7.979 -3.284) 8.895 12.676 ( 7.964 -11.799 15.169) 20.802 12.948 ( -7.612 -3.332 15.231) 17.350 13.083 ( 0.314 -6.823 -13.360) 15.005 13.494 ( 0.794 -0.990 -4.595) 4.767 13.648 ( 4.526 4.609 2.350) 6.874 14.106 ( 4.879 0.810 -15.572) 16.339 14.195 ( -9.593 -2.498 -8.737) 13.213 14.411 ( -6.838 -3.840 5.839) 9.778 15.025 ( 2.778 4.096 -3.034) 5.805 15.196 ( 1.833 3.718 8.632) 9.576 16.226 ( -0.645 1.760 9.417) 9.601 16.252 ( 2.708 1.422 -4.631) 5.550 ======================= Grid point 202 (104/125) ======================= q-point: (-0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -10.051 1.493 11.111) 15.057 0.962 ( -6.219 0.786 3.366) 7.114 1.187 ( -7.612 1.405 2.170) 8.039 1.300 ( -4.635 1.243 4.617) 6.659 1.473 ( 0.481 -4.567 -14.764) 15.461 1.572 ( 1.994 3.281 0.364) 3.856 1.669 ( -0.504 -1.319 1.547) 2.094 1.756 ( 1.481 -1.831 -1.156) 2.623 1.936 ( -0.870 0.898 -4.035) 4.224 1.989 ( -3.084 1.674 4.317) 5.563 2.086 ( -1.624 -0.414 -3.748) 4.105 2.187 ( -8.451 -4.924 2.607) 10.123 2.481 ( -4.415 -3.738 8.985) 10.686 2.523 ( -0.716 4.861 1.194) 5.056 2.664 ( 3.515 3.731 -8.011) 9.511 2.770 ( 4.667 -0.146 6.169) 7.737 2.877 ( -0.991 -7.550 -3.658) 8.448 2.986 ( 1.831 -1.612 -0.554) 2.502 3.531 ( -3.280 -1.248 8.644) 9.329 3.702 ( 3.419 -5.501 -5.730) 8.648 3.830 ( 0.092 2.552 4.975) 5.592 3.961 ( 2.248 4.667 -7.439) 9.065 4.631 ( 0.260 -2.115 5.921) 6.293 4.698 ( 2.135 1.274 -0.135) 2.489 5.156 ( 6.973 -8.534 0.953) 11.062 5.383 ( 1.388 0.271 -2.216) 2.629 5.554 ( 11.289 -4.928 -7.576) 14.461 5.600 ( -2.103 -0.455 2.248) 3.111 6.066 ( -4.172 -3.086 -2.131) 5.610 6.098 ( -5.654 -2.782 1.608) 6.503 6.314 ( -2.465 5.515 4.814) 7.724 6.738 ( -7.706 -1.053 -8.501) 11.522 7.763 ( -1.904 2.786 3.154) 4.619 7.811 ( 1.007 2.118 -2.281) 3.271 8.220 ( 2.795 -10.001 4.810) 11.445 8.326 ( 4.742 -8.253 -2.352) 9.804 9.053 ( 6.669 13.162 0.262) 14.757 9.077 ( 5.007 18.827 -0.054) 19.481 9.741 ( 3.219 0.110 -4.675) 5.677 10.030 ( -10.696 -4.426 1.756) 11.708 10.331 ( -0.149 -6.837 7.669) 10.275 10.554 ( -8.516 -1.112 -8.971) 12.420 10.722 ( 0.977 1.513 2.536) 3.110 10.858 ( 9.366 5.310 -5.359) 12.026 11.255 ( 9.475 7.539 0.123) 12.109 11.570 ( -11.106 12.245 -0.285) 16.534 11.948 ( 2.607 -3.528 8.444) 9.515 12.004 ( 6.596 2.151 -2.035) 7.230 12.846 ( -6.875 -4.833 7.547) 11.295 12.946 ( -1.319 -13.058 3.007) 13.464 13.047 ( 10.377 -7.395 -6.212) 14.176 13.349 ( -11.793 -2.134 -5.749) 13.292 13.768 ( 2.260 8.696 4.181) 9.910 14.050 ( -0.012 -0.177 -12.922) 12.923 14.075 ( 10.167 -6.275 -8.893) 14.893 14.293 ( -11.016 -4.188 7.046) 13.731 15.113 ( 7.763 4.094 -2.202) 9.048 15.241 ( -3.580 5.268 6.619) 9.186 16.271 ( -2.634 0.599 8.290) 8.719 16.293 ( 4.915 0.856 -3.723) 6.225 ======================= Grid point 203 (105/125) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -6.196 6.348 6.529) 11.015 0.991 ( 1.428 0.898 -2.408) 2.940 1.137 ( -3.198 3.201 2.875) 5.361 1.245 ( 4.495 2.480 -4.724) 6.977 1.464 ( -0.699 1.471 2.666) 3.124 1.554 ( 0.461 0.167 -4.581) 4.607 1.696 ( 0.644 -3.205 3.434) 4.741 1.709 ( -0.693 -5.350 6.407) 8.375 1.827 ( -1.769 0.334 -3.657) 4.076 1.897 ( -3.962 -3.262 -5.248) 7.340 2.117 ( -0.462 5.253 3.676) 6.428 2.183 ( 4.465 3.184 -2.061) 5.859 2.415 ( 4.020 -10.089 8.443) 13.756 2.556 ( -2.596 -12.157 -4.729) 13.300 2.653 ( 0.234 0.350 0.823) 0.924 2.704 ( 1.774 0.654 -4.723) 5.087 2.928 ( 0.519 6.198 4.544) 7.703 2.974 ( -1.083 0.585 0.646) 1.390 3.488 ( -2.883 -1.487 0.251) 3.254 3.503 ( 0.401 -9.644 -1.037) 9.708 3.933 ( -2.414 4.361 6.619) 8.286 4.080 ( 3.369 7.236 -7.983) 11.289 4.634 ( -1.631 -1.201 6.723) 7.021 4.727 ( 0.370 -0.209 -1.865) 1.913 5.161 ( 2.333 -5.056 2.871) 6.265 5.219 ( -4.683 -5.889 -2.359) 7.885 5.499 ( -5.035 -3.840 0.240) 6.337 5.567 ( 9.852 -7.673 -6.291) 13.983 5.949 ( -3.574 -1.641 2.399) 4.606 6.012 ( 1.025 -1.238 -3.593) 3.936 6.389 ( -6.110 2.765 13.720) 15.272 6.638 ( 6.711 -0.190 -10.286) 12.283 7.804 ( -3.319 3.309 3.510) 5.855 7.886 ( 2.557 3.340 -4.200) 5.944 8.122 ( -0.207 -4.909 3.486) 6.024 8.191 ( 0.461 -6.386 -3.209) 7.162 9.475 ( 1.286 14.453 3.884) 15.021 9.519 ( 0.407 16.085 0.517) 16.099 9.741 ( -14.993 2.294 1.338) 15.226 9.835 ( 10.710 -1.653 -6.250) 12.510 10.274 ( -3.015 -3.430 4.414) 6.351 10.337 ( 4.173 -4.966 -1.916) 6.763 10.831 ( -9.285 6.692 7.881) 13.896 11.011 ( 7.544 2.716 -8.775) 11.886 11.457 ( -7.689 3.198 12.438) 14.968 11.676 ( 4.472 10.731 -8.554) 14.433 11.996 ( 0.143 -1.094 8.930) 8.997 12.155 ( 3.610 5.422 -7.913) 10.249 12.626 ( -10.098 -9.726 14.508) 20.176 12.812 ( 5.313 -1.486 -3.281) 6.419 12.999 ( -8.801 -5.796 -6.687) 12.481 13.053 ( 13.701 -9.508 -8.255) 18.608 13.867 ( -2.007 0.359 1.171) 2.351 13.924 ( 0.028 -3.771 -3.567) 5.190 14.036 ( -10.485 -3.145 3.362) 11.451 14.168 ( 13.482 -4.666 -7.909) 16.312 15.285 ( -4.817 6.405 4.113) 9.008 15.358 ( 5.605 5.095 -2.992) 8.144 16.263 ( -5.595 0.857 7.372) 9.294 16.363 ( 4.005 -0.352 -2.849) 4.927 ======================= Grid point 204 (106/125) ======================= q-point: ( 0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.242 1.867 8.890) 9.357 1.056 ( 5.985 1.426 -0.328) 6.161 1.143 ( 1.611 2.329 1.140) 3.053 1.287 ( 4.038 4.582 -2.606) 6.640 1.460 ( -1.717 -0.332 0.564) 1.837 1.538 ( 0.583 0.655 0.186) 0.896 1.697 ( -2.268 -2.987 1.756) 4.141 1.749 ( 1.460 -2.019 -1.085) 2.718 1.826 ( 2.428 -1.443 3.360) 4.390 1.905 ( 3.313 1.563 3.719) 5.220 2.160 ( 5.120 1.141 -0.918) 5.325 2.240 ( 3.381 3.046 -4.086) 6.116 2.424 ( -3.797 -11.441 -6.905) 13.892 2.573 ( 5.207 -8.863 4.930) 11.400 2.663 ( -0.433 -0.483 -2.450) 2.534 2.707 ( 2.547 0.041 -2.714) 3.722 2.901 ( -2.752 4.082 1.739) 5.221 3.007 ( 0.734 3.130 0.084) 3.216 3.434 ( -4.027 -5.260 3.428) 7.459 3.526 ( 2.026 -7.025 0.963) 7.374 3.919 ( -3.833 4.777 5.841) 8.463 4.092 ( 4.362 7.986 -8.151) 12.216 4.601 ( -7.537 -1.395 6.513) 10.058 4.709 ( -0.797 -0.899 -2.361) 2.649 5.025 ( -6.456 -4.999 -1.566) 8.314 5.267 ( 0.169 -4.682 2.225) 5.187 5.414 ( -3.607 -3.432 -0.666) 5.023 5.624 ( -0.896 -3.116 -3.577) 4.828 5.978 ( 3.006 -3.586 0.657) 4.725 6.025 ( 5.148 -2.733 2.594) 6.379 6.440 ( 2.812 2.425 5.818) 6.902 6.739 ( 9.929 0.535 -7.927) 12.716 7.765 ( -3.722 2.314 3.978) 5.918 7.888 ( 0.575 3.352 -2.720) 4.355 8.120 ( -2.793 -4.289 3.407) 6.149 8.154 ( -1.197 -6.340 -3.826) 7.501 9.326 ( -15.170 14.176 0.698) 20.774 9.416 ( -8.389 11.888 0.748) 14.569 9.594 ( -5.512 2.125 7.126) 9.256 9.992 ( 3.901 -5.539 -2.963) 7.394 10.265 ( 0.966 -5.974 2.414) 6.515 10.391 ( -0.042 -4.121 -4.908) 6.409 10.737 ( -1.070 7.241 7.458) 10.450 11.079 ( 3.807 11.341 -3.368) 12.428 11.386 ( -9.049 8.389 11.011) 16.538 11.730 ( 4.766 -1.833 -3.706) 6.310 11.975 ( -2.460 11.794 -0.195) 12.050 12.209 ( 3.735 -0.071 -9.921) 10.601 12.517 ( -8.826 -5.169 13.267) 16.752 12.766 ( -5.230 -8.441 3.715) 10.602 13.000 ( 9.021 -9.694 -11.928) 17.823 13.259 ( 11.988 -7.339 -3.910) 14.590 13.801 ( -6.006 -2.836 3.827) 7.665 13.885 ( -2.783 -2.182 1.191) 3.731 13.973 ( 2.680 4.409 0.767) 5.216 14.342 ( 11.639 -6.938 -9.179) 16.366 15.182 ( -6.964 6.996 1.619) 10.003 15.425 ( 2.503 3.483 -2.945) 5.203 16.212 ( -5.263 2.114 6.916) 8.944 16.398 ( 1.955 -0.179 -3.117) 3.684 ======================= Grid point 205 (107/125) ======================= q-point: ( 0.29 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 9.360 -1.311 7.587) 12.120 1.179 ( 7.152 1.336 -2.801) 7.796 1.222 ( 5.875 -0.976 3.360) 6.838 1.358 ( 2.910 3.487 2.274) 5.079 1.481 ( 1.171 6.469 5.403) 8.509 1.550 ( 0.070 -1.526 2.412) 2.856 1.673 ( -1.624 -0.072 2.527) 3.005 1.780 ( 4.505 0.756 -5.091) 6.839 1.918 ( 1.346 1.074 5.999) 6.241 1.970 ( 1.963 -1.218 -0.774) 2.436 2.222 ( -2.322 -1.693 -4.440) 5.289 2.284 ( 5.752 -0.979 -0.665) 5.872 2.345 ( 4.616 -6.824 -7.290) 11.001 2.614 ( -1.687 -3.672 -2.842) 4.941 2.677 ( 2.060 -5.607 0.612) 6.005 2.725 ( 0.769 -3.081 -1.701) 3.602 2.883 ( -0.319 5.014 -0.758) 5.081 2.972 ( -3.356 4.836 -0.982) 5.968 3.402 ( -3.775 -6.630 8.125) 11.145 3.586 ( 4.002 -6.803 -0.850) 7.938 3.896 ( -3.686 5.908 6.297) 9.388 4.097 ( 3.183 9.299 -9.632) 13.761 4.488 ( -8.621 -2.023 6.914) 11.235 4.647 ( -2.990 -1.342 -4.098) 5.247 4.956 ( 0.693 -4.259 -2.005) 4.758 5.266 ( -2.797 -0.243 1.450) 3.160 5.311 ( -4.582 -5.418 0.237) 7.100 5.553 ( -4.037 -1.918 -0.989) 4.578 6.061 ( 4.953 -1.088 4.930) 7.072 6.213 ( 9.256 -2.752 0.637) 9.678 6.550 ( 6.318 0.397 -0.672) 6.366 6.832 ( 4.148 -0.359 -4.833) 6.379 7.739 ( -2.161 1.037 4.098) 4.747 7.874 ( 0.141 1.652 -1.501) 2.237 8.078 ( -4.168 -2.424 3.112) 5.738 8.092 ( -1.840 -5.379 -3.843) 6.862 9.113 ( -8.603 10.409 3.553) 13.963 9.246 ( -9.126 8.956 0.609) 12.801 9.542 ( -6.335 -2.887 8.403) 10.912 9.878 ( -9.915 -6.609 -2.502) 12.176 10.261 ( -1.191 -5.482 -3.577) 6.653 10.422 ( 5.924 -2.882 -0.129) 6.589 10.814 ( 0.503 1.877 4.802) 5.180 11.172 ( 7.005 20.905 3.394) 22.307 11.320 ( -5.481 11.210 8.835) 15.289 11.706 ( -6.130 -5.798 -0.856) 8.481 12.017 ( 6.237 12.638 -0.884) 14.121 12.084 ( -1.744 3.008 -17.309) 17.654 12.430 ( -14.246 -11.051 13.869) 22.747 12.787 ( 4.246 -9.851 -2.471) 11.008 13.059 ( 7.745 -8.989 -8.187) 14.415 13.369 ( 1.373 -5.280 -1.836) 5.757 13.773 ( -0.915 -0.197 5.794) 5.870 13.883 ( 0.068 -0.109 2.658) 2.662 14.088 ( 8.279 3.952 1.946) 9.378 14.461 ( 8.860 -6.699 -9.192) 14.418 15.077 ( -4.727 6.087 1.145) 7.791 15.388 ( -3.131 2.069 -4.592) 5.931 16.190 ( -2.682 3.774 6.613) 8.073 16.387 ( -0.120 0.939 -3.520) 3.645 ======================= Grid point 206 (108/125) ======================= q-point: ( 0.43 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 7.949 -1.171 0.667) 8.062 1.329 ( 7.178 2.451 1.320) 7.699 1.369 ( 4.273 -3.765 8.085) 9.889 1.395 ( -0.275 1.379 4.151) 4.383 1.539 ( 0.488 2.792 3.874) 4.800 1.600 ( 3.435 2.874 2.141) 4.964 1.686 ( -0.465 1.330 2.757) 3.096 1.776 ( -1.896 0.537 -5.925) 6.244 1.926 ( -0.521 -1.181 -1.985) 2.368 1.992 ( 0.985 -0.939 -3.178) 3.457 2.150 ( -2.601 -0.439 3.880) 4.692 2.332 ( 3.431 1.231 -7.564) 8.397 2.439 ( 5.078 -5.901 -0.797) 7.825 2.538 ( -3.896 -7.264 -3.074) 8.797 2.697 ( 0.867 0.027 2.755) 2.888 2.721 ( -0.205 -2.972 1.128) 3.185 2.835 ( -1.640 1.549 -5.864) 6.282 2.895 ( -3.810 2.200 -1.283) 4.583 3.433 ( -2.373 -3.679 12.280) 13.037 3.653 ( 5.206 -9.022 -5.423) 11.744 3.872 ( -4.811 7.171 7.599) 11.503 4.061 ( 2.207 9.423 -9.814) 13.783 4.421 ( -3.967 -0.927 5.878) 7.152 4.561 ( -0.114 -0.833 -6.707) 6.760 4.995 ( 1.115 -3.163 3.430) 4.797 5.145 ( -4.128 -2.184 -3.079) 5.594 5.344 ( 3.991 -3.857 0.940) 5.629 5.465 ( -3.635 -2.433 -2.087) 4.846 6.203 ( 4.014 1.163 6.146) 7.432 6.326 ( 2.468 0.986 -0.557) 2.715 6.662 ( 4.715 -2.894 0.240) 5.538 6.802 ( -2.913 -1.792 -3.959) 5.232 7.755 ( 0.435 -0.491 4.120) 4.172 7.869 ( 0.645 -2.133 -2.783) 3.565 8.023 ( -4.167 -0.595 3.057) 5.202 8.046 ( 0.684 -2.080 -3.104) 3.798 9.038 ( -3.974 8.353 5.481) 10.752 9.127 ( -2.278 6.753 -1.107) 7.212 9.513 ( -3.059 -7.378 8.467) 11.640 9.703 ( -4.545 -6.954 -3.941) 9.195 10.242 ( -0.679 -0.744 3.157) 3.314 10.438 ( -1.292 5.710 -5.994) 8.378 10.929 ( 5.983 -5.952 9.986) 13.075 11.312 ( 1.905 8.119 -7.588) 11.274 11.327 ( -0.881 11.884 15.109) 19.243 11.581 ( -2.443 4.203 1.179) 5.003 11.919 ( -3.381 10.026 -12.900) 16.684 11.992 ( -3.975 2.933 -10.238) 11.368 12.376 ( -4.349 -12.462 18.365) 22.616 12.782 ( 3.080 -10.726 -12.231) 16.557 13.182 ( 4.254 -3.243 2.266) 5.810 13.329 ( 0.462 -4.971 -5.833) 7.678 13.768 ( -8.941 3.017 14.597) 17.381 13.962 ( 11.308 1.542 -10.579) 15.561 14.262 ( 3.873 -0.787 7.980) 8.905 14.527 ( 5.754 -5.046 -10.403) 12.915 15.038 ( -0.891 4.504 3.659) 5.872 15.255 ( -5.267 2.091 -6.420) 8.564 16.208 ( -1.254 4.540 6.631) 8.134 16.347 ( -0.882 2.115 -3.538) 4.215 ======================= Grid point 207 (109/125) ======================= q-point: (-0.43 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -9.360 2.225 2.855) 10.035 1.339 ( -6.565 3.428 0.294) 7.412 1.453 ( 3.080 -1.756 0.311) 3.559 1.517 ( 4.429 3.941 -3.016) 6.652 1.584 ( -6.138 -10.046 -4.951) 12.771 1.657 ( 4.827 -9.810 4.793) 11.937 1.686 ( 3.133 8.310 4.010) 9.744 1.690 ( -1.953 9.769 -4.463) 10.916 1.913 ( -2.333 -4.166 -0.760) 4.835 1.939 ( -0.636 -0.047 -1.837) 1.944 2.156 ( -3.445 2.724 8.033) 9.156 2.310 ( 1.385 0.435 -8.445) 8.569 2.373 ( -9.511 -5.846 4.336) 11.976 2.546 ( 3.833 -9.320 -2.181) 10.310 2.713 ( -1.805 -0.721 2.505) 3.170 2.769 ( 0.974 1.950 -3.117) 3.803 2.809 ( -1.484 -0.543 -3.559) 3.894 2.827 ( 5.609 1.749 3.643) 6.913 3.463 ( -4.675 -3.370 11.348) 12.727 3.660 ( 1.027 -7.870 -8.522) 11.646 3.854 ( -3.545 7.117 9.303) 12.238 4.066 ( 6.264 8.824 -9.596) 14.464 4.418 ( -0.660 -1.970 5.209) 5.608 4.570 ( 6.463 0.128 -7.057) 9.571 4.952 ( -7.232 -4.464 5.651) 10.206 5.179 ( 8.479 -2.867 -3.728) 9.696 5.384 ( -1.479 -3.319 -3.310) 4.915 5.452 ( 6.052 -2.046 -0.948) 6.458 6.249 ( -4.155 1.843 3.436) 5.698 6.334 ( 0.344 1.224 -2.612) 2.905 6.601 ( -11.969 0.351 4.765) 12.888 6.784 ( 2.434 -6.112 -1.217) 6.690 7.797 ( 0.231 -0.985 1.939) 2.187 7.864 ( 2.807 -2.904 -4.040) 5.712 7.979 ( -2.750 0.720 3.496) 4.506 8.072 ( 3.614 -1.740 -1.862) 4.423 9.044 ( 0.290 7.126 5.248) 8.855 9.144 ( 5.287 8.006 -3.111) 10.086 9.586 ( 4.534 -9.612 7.050) 12.753 9.653 ( 2.560 -6.176 -5.023) 8.362 10.237 ( -5.190 2.046 5.421) 7.779 10.402 ( 4.114 3.994 -3.772) 6.863 11.055 ( -6.775 -7.354 5.270) 11.303 11.205 ( 0.824 5.772 -5.259) 7.852 11.421 ( -0.796 7.165 13.242) 15.077 11.649 ( 5.304 17.223 -10.605) 20.910 11.791 ( -0.344 0.710 1.137) 1.384 11.936 ( 8.317 4.826 -7.946) 12.474 12.389 ( -10.365 -11.075 18.283) 23.756 12.778 ( 7.226 -11.663 -13.302) 19.110 13.126 ( -9.102 -1.812 3.602) 9.954 13.398 ( 9.093 -4.912 -8.366) 13.296 13.704 ( -8.269 4.262 12.747) 15.781 14.085 ( 10.699 0.948 -13.969) 17.621 14.311 ( -5.928 -3.868 8.456) 11.027 14.477 ( -2.184 -1.624 -11.113) 11.441 15.110 ( 1.954 2.754 4.241) 5.422 15.139 ( 0.624 3.507 -2.603) 4.412 16.241 ( -1.230 4.190 7.148) 8.377 16.306 ( -0.439 2.525 -3.232) 4.125 ======================= Grid point 208 (110/125) ======================= q-point: (-0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -9.408 3.114 3.072) 10.375 1.159 ( -9.242 3.201 -1.584) 9.908 1.389 ( -6.262 -4.617 -9.239) 12.078 1.419 ( -6.505 4.571 -3.434) 8.660 1.540 ( -1.023 4.083 0.615) 4.254 1.620 ( -0.644 1.927 -5.915) 6.254 1.672 ( -4.714 -0.867 5.160) 7.042 1.740 ( 0.463 -1.934 -4.335) 4.769 1.941 ( 0.853 4.755 3.043) 5.709 1.956 ( 4.791 -8.815 2.541) 10.349 2.146 ( -3.274 3.031 5.408) 7.011 2.208 ( -7.772 -6.447 2.911) 10.509 2.287 ( -2.361 -2.870 -1.073) 3.868 2.581 ( 1.014 -8.179 -0.303) 8.247 2.693 ( -1.948 -4.575 3.331) 5.985 2.739 ( -1.107 0.886 -4.255) 4.485 2.802 ( 1.772 6.249 2.245) 6.872 2.968 ( 4.223 2.292 1.056) 4.919 3.467 ( -1.075 -4.644 5.556) 7.321 3.598 ( -0.816 -5.904 -5.356) 8.013 3.874 ( -2.168 6.170 8.413) 10.656 4.099 ( 4.702 8.750 -9.783) 13.942 4.487 ( 2.467 -3.826 6.379) 7.837 4.655 ( 6.644 0.117 -4.929) 8.273 4.904 ( -0.278 -6.150 2.776) 6.753 5.315 ( 5.094 -6.724 -0.174) 8.437 5.356 ( 4.520 -0.324 -6.472) 7.901 5.554 ( 4.765 -1.525 -1.354) 5.183 6.151 ( -5.504 -0.101 -2.277) 5.957 6.220 ( -10.637 -2.123 -1.252) 10.919 6.456 ( -7.181 4.166 7.700) 11.323 6.779 ( -3.382 -5.845 1.022) 6.830 7.805 ( 1.253 0.792 -1.399) 2.038 7.880 ( 0.961 2.034 -2.904) 3.673 8.002 ( 1.589 -3.084 4.694) 5.837 8.134 ( 4.146 -4.030 -1.996) 6.117 9.132 ( 5.816 7.865 2.539) 10.106 9.261 ( 8.660 11.614 -1.616) 14.577 9.689 ( 5.161 -3.957 -5.678) 8.633 9.792 ( 10.653 -8.154 5.363) 14.448 10.178 ( -3.457 -1.875 4.177) 5.737 10.449 ( -0.344 -5.303 -2.108) 5.717 10.903 ( -3.438 -3.370 -2.774) 5.556 11.171 ( -6.412 21.674 1.663) 22.663 11.493 ( 1.218 14.681 -1.946) 14.859 11.674 ( 5.939 1.825 2.320) 6.632 11.840 ( 1.023 -5.869 -0.819) 6.014 12.047 ( 3.172 11.347 -3.051) 12.171 12.423 ( 2.666 -12.569 17.149) 21.429 12.805 ( 2.170 -10.777 -1.870) 11.151 12.968 ( -6.404 -4.537 -6.110) 9.946 13.447 ( 1.377 -4.232 -7.134) 8.408 13.707 ( 1.590 1.471 6.443) 6.797 14.099 ( -1.112 -4.188 -7.983) 9.083 14.173 ( -7.507 2.807 -5.989) 10.005 14.338 ( -5.469 -2.879 -1.812) 6.441 15.115 ( 3.677 4.694 -2.325) 6.400 15.270 ( 4.100 3.250 6.760) 8.548 16.270 ( -1.294 2.425 5.739) 6.363 16.289 ( 0.726 2.301 -0.939) 2.590 ======================= Grid point 209 (111/125) ======================= q-point: (-0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -7.923 5.718 4.122) 10.605 1.033 ( -2.928 5.110 -1.076) 5.987 1.221 ( -3.569 -3.453 -5.697) 7.558 1.248 ( -7.128 4.786 0.227) 8.589 1.501 ( -1.497 5.238 -4.318) 6.951 1.569 ( -0.711 -2.339 -1.539) 2.889 1.656 ( -0.655 -4.894 5.387) 7.308 1.702 ( -1.585 -0.322 -0.556) 1.710 1.947 ( -3.753 -1.765 -6.153) 7.420 2.003 ( 1.419 -0.557 -2.816) 3.202 2.088 ( -4.379 1.246 4.194) 6.190 2.155 ( -2.362 1.714 6.322) 6.963 2.292 ( 2.298 -10.404 4.679) 11.637 2.587 ( -0.535 -5.268 1.272) 5.446 2.680 ( -1.833 -7.272 0.550) 7.520 2.706 ( 1.162 1.797 -4.040) 4.572 2.858 ( 1.397 6.658 4.653) 8.242 2.999 ( -0.482 2.472 0.115) 2.521 3.498 ( 0.942 -5.725 0.033) 5.802 3.545 ( -1.778 -5.539 -2.452) 6.313 3.906 ( -1.038 5.269 7.034) 8.850 4.092 ( 2.529 7.939 -8.148) 11.654 4.579 ( 1.161 -3.078 7.000) 7.734 4.717 ( 2.775 0.287 -2.345) 3.644 5.001 ( 8.133 -6.763 1.170) 10.642 5.333 ( 0.056 -5.381 -4.042) 6.730 5.442 ( 5.860 -5.131 -3.719) 8.631 5.580 ( -1.981 -1.757 0.816) 2.771 6.012 ( -4.927 -2.850 -2.676) 6.290 6.062 ( -4.296 -0.523 -0.989) 4.439 6.410 ( -5.265 4.262 9.035) 11.292 6.684 ( -4.625 -3.980 -2.866) 6.742 7.821 ( 0.096 2.976 0.628) 3.043 7.873 ( 1.432 3.317 -3.281) 4.880 8.075 ( 1.848 -4.746 3.923) 6.429 8.184 ( 2.776 -5.815 -2.613) 6.954 9.307 ( 10.202 11.019 2.438) 15.213 9.421 ( 7.910 14.976 0.407) 16.941 9.736 ( 4.931 -0.682 -6.187) 7.941 9.942 ( -2.137 -3.455 1.850) 4.464 10.235 ( 4.105 -3.747 8.220) 9.923 10.345 ( -4.499 -11.753 -4.792) 13.466 10.881 ( 1.267 6.504 -5.486) 8.603 11.032 ( -6.735 14.186 1.531) 15.778 11.476 ( -1.287 9.758 1.597) 9.971 11.739 ( -5.204 4.705 -4.066) 8.109 11.858 ( 4.633 -1.182 11.235) 12.210 12.125 ( 7.034 8.537 -4.855) 12.081 12.610 ( -2.566 -14.067 20.317) 24.844 12.804 ( -2.538 -4.307 -7.330) 8.873 12.882 ( 10.504 -8.890 -8.571) 16.212 13.296 ( -11.523 -3.677 -6.865) 13.908 13.847 ( 6.650 -2.717 0.988) 7.251 13.951 ( -2.654 -3.264 -4.202) 5.946 14.067 ( 0.538 1.292 -6.661) 6.806 14.208 ( -8.460 -3.684 0.564) 9.245 15.211 ( 6.883 5.474 -0.708) 8.823 15.347 ( -0.857 4.901 4.161) 6.486 16.288 ( -2.885 0.860 7.195) 7.800 16.310 ( 3.060 0.917 -2.219) 3.890 ======================= Grid point 210 (112/125) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 2.577 4.216 2.566) 5.568 1.063 ( -5.926 9.525 -2.200) 11.431 1.233 ( -2.710 5.414 4.107) 7.316 1.320 ( 4.362 3.650 -4.581) 7.303 1.491 ( -1.935 -0.365 3.104) 3.676 1.549 ( -0.699 -5.452 6.034) 8.162 1.568 ( 0.413 0.690 -3.071) 3.174 1.672 ( 0.739 -3.050 -2.843) 4.235 1.818 ( -4.768 -0.974 -1.275) 5.031 1.856 ( 2.879 0.585 -3.819) 4.818 2.167 ( 2.175 -6.083 4.969) 8.150 2.237 ( 0.859 2.028 3.426) 4.073 2.246 ( 1.675 -3.692 -1.715) 4.402 2.338 ( -0.716 -3.830 -5.503) 6.743 2.614 ( 1.476 -4.612 2.384) 5.397 2.678 ( -1.456 -4.576 -4.222) 6.394 2.949 ( 2.411 -0.162 7.874) 8.236 3.077 ( -3.204 3.260 -5.004) 6.777 3.354 ( 0.998 -2.724 6.987) 7.565 3.485 ( -2.058 0.059 -5.455) 5.831 4.044 ( -4.149 7.368 9.277) 12.552 4.232 ( 3.683 7.874 -8.540) 12.186 4.600 ( -0.910 -2.522 6.047) 6.615 4.704 ( 0.578 -2.294 -3.156) 3.944 5.076 ( 6.879 -3.474 1.452) 7.841 5.111 ( -6.659 -4.892 -1.819) 8.461 5.408 ( -0.310 -5.003 -2.156) 5.456 5.430 ( 3.853 -5.503 -4.345) 8.000 5.942 ( -3.991 0.651 3.314) 5.228 6.003 ( 0.094 -0.113 -2.599) 2.604 6.433 ( -5.551 1.812 11.284) 12.706 6.592 ( 5.606 -3.697 -3.639) 7.638 7.877 ( -2.176 3.841 0.380) 4.430 7.933 ( 3.086 1.654 -4.674) 5.840 8.058 ( 0.123 -2.193 2.401) 3.254 8.108 ( -0.091 -2.595 -2.327) 3.487 9.613 ( -3.268 0.409 7.285) 7.995 9.750 ( -0.350 8.064 4.277) 9.134 9.759 ( 5.444 -5.018 -6.468) 9.831 9.846 ( -4.876 6.222 -5.544) 9.655 10.265 ( 6.673 2.847 4.166) 8.366 10.316 ( -1.145 2.351 -0.076) 2.616 10.931 ( -10.688 2.684 3.690) 11.621 11.021 ( 6.520 -1.973 -3.656) 7.731 11.552 ( -8.936 7.270 15.123) 19.011 11.823 ( 3.953 3.627 -9.030) 10.504 12.024 ( -1.081 3.688 9.906) 10.625 12.245 ( 2.635 1.319 -11.060) 11.446 12.487 ( -4.329 -2.235 15.662) 16.403 12.794 ( 7.554 -0.611 -9.872) 12.446 12.832 ( -0.771 -8.145 -2.099) 8.446 12.955 ( 0.112 -2.915 -9.434) 9.874 13.827 ( 0.637 -4.060 -0.154) 4.112 13.848 ( -0.815 -2.506 -1.328) 2.951 13.991 ( -5.041 -1.488 2.193) 5.695 14.097 ( 6.789 -3.317 -7.370) 10.555 15.400 ( -2.561 5.074 2.994) 6.424 15.446 ( 3.458 3.616 -1.509) 5.226 16.279 ( -4.073 0.780 5.462) 6.858 16.346 ( 2.582 -1.269 -1.334) 3.171 ======================= Grid point 211 (113/125) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.036 7.120 0.908) 7.178 1.133 ( 5.323 5.038 3.860) 8.283 1.228 ( 0.184 5.898 0.953) 5.978 1.365 ( 3.515 2.407 -3.236) 5.350 1.487 ( -0.428 3.704 4.780) 6.062 1.592 ( 3.395 2.979 -0.703) 4.571 1.599 ( -0.873 -5.934 6.602) 8.920 1.667 ( 3.710 -4.813 -7.337) 9.527 1.801 ( 2.987 0.002 3.057) 4.274 1.939 ( 6.104 1.052 0.097) 6.194 2.184 ( -2.360 -9.510 -5.128) 11.059 2.203 ( 0.802 1.854 0.279) 2.040 2.314 ( 1.857 1.718 -2.729) 3.721 2.337 ( 3.777 -9.028 0.151) 9.787 2.625 ( -0.504 -7.223 -1.547) 7.404 2.685 ( 3.011 -1.042 0.830) 3.293 2.977 ( -1.669 0.810 -2.975) 3.506 3.056 ( 1.045 1.277 5.366) 5.614 3.365 ( -4.458 -0.360 -3.027) 5.401 3.442 ( 0.890 -1.414 4.915) 5.191 4.033 ( -4.408 7.178 9.077) 12.383 4.255 ( 5.578 8.172 -8.759) 13.214 4.549 ( -8.710 -3.885 5.784) 11.154 4.675 ( -0.827 -2.803 -4.252) 5.159 4.954 ( -4.803 -1.812 -3.199) 6.049 5.171 ( 0.644 -5.427 0.392) 5.479 5.358 ( -0.206 -1.497 -0.972) 1.797 5.544 ( 3.337 -4.866 -2.845) 6.550 5.922 ( 2.730 -1.421 2.678) 4.080 5.994 ( 0.061 -1.280 3.474) 3.702 6.489 ( 3.477 2.739 4.815) 6.541 6.709 ( 8.267 -3.116 -3.632) 9.553 7.829 ( -3.062 3.999 0.884) 5.114 7.933 ( 0.031 1.314 -3.152) 3.416 8.057 ( -1.933 -2.657 1.285) 3.528 8.069 ( -1.759 -2.794 -1.645) 3.689 9.456 ( -13.828 0.346 4.801) 14.642 9.550 ( -13.112 1.859 -3.260) 13.638 9.736 ( -8.380 10.306 3.227) 13.670 9.914 ( 3.379 -0.864 0.132) 3.490 10.190 ( -1.126 -2.065 -0.159) 2.357 10.312 ( -5.788 -3.864 -6.138) 9.280 10.879 ( 3.268 7.243 6.097) 10.016 11.286 ( 16.202 3.579 1.237) 16.638 11.490 ( -10.587 6.557 16.539) 20.703 11.761 ( -3.424 6.197 -7.703) 10.462 12.103 ( -0.686 -0.783 10.152) 10.206 12.222 ( 5.373 0.436 -13.514) 14.550 12.491 ( -6.805 2.098 9.091) 11.548 12.626 ( -6.700 -2.905 -2.410) 7.690 12.828 ( 6.176 -7.665 -12.943) 16.260 13.122 ( 10.148 -6.881 0.149) 12.262 13.760 ( -2.744 -1.092 -0.320) 2.971 13.835 ( -1.121 -2.599 1.770) 3.339 14.031 ( 5.361 1.740 2.382) 6.119 14.217 ( 10.200 -5.791 -7.698) 14.030 15.313 ( -6.450 6.186 0.415) 8.946 15.476 ( -0.106 1.472 -1.978) 2.468 16.254 ( -2.568 2.241 4.987) 6.041 16.383 ( 2.052 -1.383 -1.352) 2.820 ======================= Grid point 212 (114/125) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 5.439 0.509 2.138) 5.866 1.204 ( 2.835 2.656 0.688) 3.945 1.311 ( 5.801 5.960 1.666) 8.482 1.391 ( -0.267 -2.055 0.466) 2.124 1.551 ( 1.544 3.309 3.693) 5.193 1.621 ( 0.276 3.101 7.170) 7.816 1.669 ( 2.817 1.017 -0.070) 2.995 1.742 ( 8.419 1.111 -3.529) 9.197 1.904 ( 4.574 -0.223 0.400) 4.597 2.034 ( 1.897 3.151 1.730) 4.064 2.095 ( -0.545 -7.237 -4.495) 8.537 2.276 ( 5.803 -0.038 -0.014) 5.803 2.322 ( 2.382 2.252 -3.623) 4.886 2.367 ( 0.276 -12.807 -2.782) 13.109 2.620 ( 0.714 -7.186 -0.310) 7.228 2.725 ( 0.398 2.753 0.642) 2.855 2.958 ( 1.216 -0.326 -3.841) 4.042 3.061 ( -4.848 3.227 3.408) 6.748 3.263 ( -2.595 -4.594 -0.824) 5.340 3.492 ( -0.212 -2.815 3.649) 4.614 4.029 ( -3.832 7.655 9.241) 12.597 4.275 ( 3.585 8.456 -10.755) 14.143 4.429 ( -7.240 -3.888 6.932) 10.751 4.605 ( -1.581 -3.029 -6.685) 7.507 4.895 ( 1.032 -1.583 -2.718) 3.310 5.167 ( -1.187 -7.725 0.063) 7.816 5.300 ( -4.704 2.507 0.257) 5.336 5.506 ( -3.976 -2.824 -1.021) 4.982 6.046 ( 6.848 -0.417 4.878) 8.418 6.149 ( 10.960 -3.608 2.472) 11.801 6.581 ( 3.179 2.661 0.488) 4.174 6.798 ( 2.732 -2.889 -2.662) 4.785 7.787 ( -1.938 3.617 1.016) 4.227 7.890 ( -2.115 0.356 -1.549) 2.645 8.014 ( -1.389 -3.090 -1.702) 3.792 8.033 ( -2.177 -2.430 1.111) 3.447 9.240 ( -10.342 1.819 2.363) 10.763 9.312 ( -11.286 -0.828 1.062) 11.366 9.558 ( -10.406 4.617 3.180) 11.820 9.811 ( -10.376 -1.225 -2.526) 10.749 10.188 ( 2.414 -1.408 0.522) 2.843 10.356 ( 9.772 -3.471 0.520) 10.383 10.908 ( -4.324 6.717 2.073) 8.253 11.401 ( -10.969 -4.016 13.829) 18.102 11.585 ( -4.543 12.516 -1.346) 13.382 11.648 ( 12.246 10.306 2.577) 16.212 12.106 ( -1.267 -3.189 -1.810) 3.880 12.185 ( -3.118 2.209 -4.676) 6.039 12.354 ( -7.011 3.860 -3.127) 8.593 12.610 ( 2.444 -4.939 -5.183) 7.564 12.888 ( 10.396 -8.197 -6.027) 14.546 13.239 ( 0.707 -7.917 2.328) 8.283 13.782 ( 3.774 1.118 2.481) 4.653 13.867 ( 1.129 -1.001 5.534) 5.736 14.157 ( 5.722 2.706 1.647) 6.540 14.336 ( 8.701 -5.859 -7.639) 12.976 15.196 ( -5.252 5.887 -0.395) 7.899 15.408 ( -4.135 -0.172 -3.958) 5.727 16.265 ( -0.651 3.700 4.707) 6.022 16.396 ( 0.512 -0.188 -1.435) 1.535 ======================= Grid point 213 (115/125) ======================= q-point: ( 0.43 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 7.079 -5.010 2.161) 8.938 1.307 ( 4.264 -1.297 7.090) 8.375 1.349 ( -4.555 -5.915 0.833) 7.511 1.444 ( 7.979 3.246 -1.399) 8.727 1.552 ( -1.056 2.107 -1.415) 2.749 1.637 ( -5.062 1.062 -3.598) 6.300 1.739 ( 4.082 6.182 6.009) 9.539 1.848 ( 1.966 2.461 -0.215) 3.158 1.972 ( 4.740 5.232 -3.415) 7.842 2.014 ( -2.619 1.918 0.629) 3.306 2.144 ( 1.934 -0.644 5.780) 6.129 2.321 ( -1.912 -10.963 -2.322) 11.369 2.343 ( 2.837 -0.550 -3.620) 4.632 2.368 ( 3.454 0.104 -4.761) 5.882 2.652 ( 1.966 -4.468 3.176) 5.824 2.756 ( 3.359 3.385 1.877) 5.125 2.892 ( -4.388 3.365 -5.783) 8.001 2.943 ( -7.152 3.018 -0.283) 7.767 3.300 ( 3.599 -9.360 4.523) 11.001 3.477 ( -2.565 -7.938 -0.724) 8.374 4.027 ( -4.600 8.060 9.700) 13.424 4.221 ( -0.206 5.720 -5.913) 8.229 4.405 ( -0.708 0.026 1.759) 1.896 4.537 ( 2.066 -1.544 -8.905) 9.271 4.937 ( 2.229 -2.416 2.064) 3.881 5.072 ( -6.121 -5.207 -0.852) 8.081 5.300 ( 4.166 -0.272 -0.490) 4.204 5.415 ( -3.417 -2.521 -2.600) 4.979 6.229 ( 6.332 1.429 5.861) 8.746 6.333 ( 4.695 -0.625 1.645) 5.014 6.624 ( 2.249 -0.749 -0.018) 2.371 6.750 ( -5.775 -3.306 -1.476) 6.816 7.779 ( 0.426 2.618 0.865) 2.789 7.844 ( -1.137 -0.014 -1.940) 2.249 7.991 ( -0.788 -2.630 0.497) 2.791 8.010 ( -0.076 -2.168 -0.687) 2.275 9.120 ( -5.580 -0.000 3.923) 6.821 9.168 ( -2.257 -1.582 -1.701) 3.239 9.450 ( -4.368 1.419 5.955) 7.520 9.632 ( -3.948 -1.655 -5.681) 7.113 10.274 ( 1.974 3.799 8.294) 9.334 10.516 ( 3.857 0.866 -2.193) 4.521 10.855 ( 0.197 0.168 4.976) 4.983 11.230 ( -10.603 -9.105 -4.226) 14.601 11.513 ( -4.101 8.086 13.866) 16.567 11.892 ( 6.711 18.059 4.494) 19.783 12.020 ( -1.416 4.259 -17.891) 18.445 12.076 ( -6.619 -6.087 7.742) 11.866 12.261 ( -0.164 7.420 -1.294) 7.534 12.571 ( 3.274 -8.835 -15.169) 17.857 13.084 ( 10.735 -6.700 -1.176) 12.708 13.204 ( -4.835 -7.654 1.238) 9.137 13.841 ( -5.928 4.116 13.362) 15.186 13.975 ( 8.880 -0.055 -3.577) 9.574 14.257 ( 1.823 0.302 3.742) 4.173 14.423 ( 7.600 -5.305 -9.494) 13.268 15.130 ( -1.674 4.674 1.502) 5.187 15.282 ( -4.472 0.425 -5.522) 7.118 16.294 ( -0.427 3.989 4.708) 6.185 16.382 ( -0.713 1.204 -1.359) 1.951 ======================= Grid point 214 (116/125) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -6.977 -5.311 -0.064) 8.769 1.341 ( 4.570 -8.322 0.443) 9.505 1.434 ( -10.292 5.691 -2.227) 11.970 1.447 ( 2.109 -3.211 4.924) 6.246 1.481 ( 0.711 -5.357 -3.587) 6.486 1.625 ( 7.403 5.972 -2.493) 9.833 1.806 ( -2.977 3.237 1.468) 4.636 1.816 ( -1.833 -0.833 0.252) 2.030 1.923 ( -6.797 7.422 2.241) 10.310 2.041 ( 2.635 6.732 -1.757) 7.440 2.192 ( -3.185 -2.174 4.847) 6.194 2.245 ( -4.832 -1.259 1.144) 5.123 2.339 ( -0.976 1.986 -3.768) 4.369 2.366 ( 2.416 -7.597 -4.215) 9.018 2.710 ( -4.072 -0.009 -0.150) 4.075 2.769 ( 1.205 -2.085 3.083) 3.912 2.813 ( -2.490 1.463 -2.047) 3.541 2.924 ( 8.301 7.162 0.617) 10.981 3.360 ( -3.563 -7.476 1.164) 8.363 3.442 ( 2.826 -11.866 0.375) 12.203 4.014 ( -4.664 8.071 10.444) 13.999 4.224 ( 4.845 5.441 -4.703) 8.671 4.393 ( -1.091 0.378 0.191) 1.171 4.554 ( 6.654 -1.783 -9.235) 11.521 4.884 ( -7.970 -2.099 5.833) 10.097 5.088 ( 5.272 -6.070 -0.631) 8.064 5.340 ( 0.757 -0.813 -4.327) 4.467 5.413 ( 6.737 -1.882 -2.570) 7.452 6.285 ( -5.625 1.621 2.190) 6.250 6.347 ( -2.700 -0.105 -0.968) 2.870 6.595 ( -8.100 -0.841 2.892) 8.642 6.689 ( 1.221 -3.360 3.776) 5.200 7.812 ( 1.918 2.111 -0.142) 2.856 7.827 ( 2.030 -0.265 -2.293) 3.074 7.979 ( -0.971 -1.256 0.987) 1.869 8.026 ( 2.416 -2.904 -1.610) 4.107 9.105 ( 1.320 0.025 3.367) 3.617 9.202 ( 7.469 -2.109 -3.172) 8.384 9.493 ( 3.285 0.221 7.005) 7.740 9.581 ( 3.629 -1.638 -6.295) 7.448 10.321 ( -6.820 5.701 7.876) 11.876 10.478 ( -1.344 3.039 -3.133) 4.567 10.918 ( -5.685 -4.433 4.510) 8.504 11.128 ( 9.439 -7.478 -0.657) 12.060 11.625 ( 2.374 7.299 15.362) 17.173 11.852 ( -4.546 8.034 -8.646) 12.647 11.967 ( -2.961 4.644 0.526) 5.532 12.055 ( 5.571 8.776 -1.801) 10.550 12.280 ( -1.457 4.507 5.488) 7.250 12.534 ( 6.772 -11.853 -16.092) 21.102 13.059 ( -8.810 -4.895 0.903) 10.119 13.266 ( 8.211 -8.394 -4.447) 12.557 13.792 ( -8.711 4.601 11.283) 14.979 14.063 ( 0.861 -3.304 -1.757) 3.840 14.280 ( 0.559 0.921 -1.422) 1.784 14.437 ( 1.224 -2.408 -10.968) 11.295 15.162 ( 1.258 2.484 3.092) 4.161 15.196 ( 1.257 2.086 -1.872) 3.072 16.318 ( -1.294 3.382 5.018) 6.188 16.352 ( -1.212 1.990 -1.123) 2.587 ======================= Grid point 215 (117/125) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -6.328 -2.831 -1.577) 7.110 1.239 ( -6.295 5.968 -2.188) 8.947 1.364 ( -4.181 0.783 -4.226) 5.996 1.400 ( 0.911 -6.830 0.511) 6.909 1.586 ( 2.960 -3.436 1.429) 4.755 1.645 ( -3.992 1.755 -0.205) 4.366 1.699 ( -8.302 2.250 -0.276) 8.606 1.776 ( -4.531 8.040 -4.767) 10.387 1.834 ( -0.187 -0.452 5.317) 5.339 2.043 ( -1.250 2.084 -0.147) 2.434 2.088 ( -5.832 -5.092 -1.309) 7.852 2.217 ( -2.690 4.544 5.396) 7.550 2.280 ( -3.639 1.927 0.555) 4.156 2.380 ( 2.671 -8.861 -4.409) 10.251 2.620 ( -3.127 -4.170 -0.045) 5.212 2.768 ( 0.015 2.504 -2.393) 3.463 2.842 ( -0.553 -3.917 6.212) 7.364 3.079 ( 6.125 9.476 0.217) 11.285 3.293 ( -0.990 -12.001 -2.413) 12.281 3.510 ( 2.185 -3.017 2.000) 4.228 4.023 ( -3.405 8.258 9.881) 13.320 4.276 ( 5.314 8.432 -10.909) 14.777 4.405 ( 0.384 -4.350 7.834) 8.969 4.618 ( 7.271 -3.862 -7.798) 11.340 4.833 ( -0.908 -0.850 3.379) 3.601 5.154 ( 1.357 -8.814 1.344) 9.018 5.364 ( 5.415 1.131 -5.540) 7.829 5.515 ( 4.910 -2.437 -2.053) 5.853 6.141 ( -8.180 -1.168 -4.113) 9.230 6.175 ( -10.697 -2.204 0.263) 10.925 6.527 ( -4.834 3.102 6.103) 8.381 6.695 ( -5.382 -2.752 6.490) 8.869 7.840 ( 3.448 2.520 -3.354) 5.431 7.882 ( 3.398 -0.529 -0.879) 3.549 7.979 ( 0.297 -0.725 1.343) 1.555 8.066 ( 3.151 -2.956 -1.905) 4.722 9.218 ( 7.818 1.506 2.858) 8.459 9.379 ( 13.241 -0.885 -3.820) 13.809 9.628 ( 7.322 -0.036 -2.030) 7.598 9.712 ( 11.994 -0.866 4.264) 12.759 10.192 ( -7.911 2.703 1.109) 8.433 10.367 ( -9.356 -2.542 -0.285) 9.699 10.911 ( 2.565 3.102 2.627) 4.806 11.366 ( 8.271 -8.809 9.008) 15.072 11.651 ( -12.601 18.349 0.870) 22.276 11.813 ( 1.686 2.497 10.070) 10.511 11.876 ( 3.973 8.347 -16.556) 18.962 12.222 ( 6.928 -3.856 9.305) 12.225 12.281 ( -0.386 8.508 0.748) 8.550 12.576 ( 6.355 -11.833 -5.115) 14.373 12.888 ( -6.332 -2.887 -6.180) 9.307 13.326 ( 1.872 -7.970 -6.011) 10.157 13.727 ( -4.255 1.118 5.516) 7.055 13.986 ( -7.102 -6.520 1.391) 9.741 14.245 ( -2.177 3.419 -7.959) 8.932 14.306 ( -4.840 -0.543 -7.580) 9.010 15.200 ( 4.590 3.878 -0.700) 6.050 15.312 ( 5.191 0.904 5.368) 7.522 16.315 ( -1.777 2.061 1.694) 3.205 16.333 ( -1.370 1.881 2.718) 3.578 ======================= Grid point 216 (118/125) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -2.211 -0.283 -0.179) 2.236 1.168 ( -1.804 7.603 -0.676) 7.843 1.265 ( -3.407 4.588 0.030) 5.715 1.365 ( -4.257 3.718 -5.201) 7.681 1.505 ( -6.308 -3.757 5.667) 9.275 1.551 ( -3.213 -0.454 0.846) 3.353 1.631 ( -0.959 5.746 -4.306) 7.244 1.696 ( -1.429 -1.290 -2.594) 3.230 1.855 ( -0.657 -5.814 -0.396) 5.864 1.956 ( -6.555 -1.975 -1.111) 6.936 2.063 ( 2.694 -4.466 2.947) 5.991 2.219 ( 0.037 4.142 1.967) 4.585 2.234 ( -2.398 2.404 3.133) 4.620 2.384 ( 0.717 -8.555 -4.021) 9.480 2.590 ( -0.804 -5.340 1.572) 5.624 2.744 ( -0.881 0.089 -4.411) 4.499 2.864 ( -0.920 -3.368 7.750) 8.500 3.142 ( 0.734 8.587 -2.147) 8.881 3.291 ( 0.965 -9.351 2.084) 9.629 3.536 ( 0.388 0.096 -2.541) 2.573 4.037 ( -3.114 8.093 9.202) 12.644 4.254 ( 1.996 8.139 -9.311) 12.527 4.513 ( 3.066 -3.585 7.716) 9.044 4.691 ( 4.826 -3.337 -5.212) 7.848 4.907 ( 6.819 -2.412 1.689) 7.427 5.183 ( 1.114 -8.916 -0.789) 9.020 5.386 ( 0.090 -0.837 -3.769) 3.862 5.529 ( -2.888 -3.431 -1.147) 4.629 5.969 ( -3.555 -1.058 -1.949) 4.190 6.055 ( -2.798 -0.770 -2.314) 3.712 6.478 ( -6.098 2.564 8.210) 10.543 6.608 ( -6.683 -3.390 3.833) 8.417 7.883 ( 3.072 3.336 -2.760) 5.308 7.912 ( 1.488 0.822 -2.426) 2.962 8.018 ( 1.820 -1.650 2.293) 3.361 8.104 ( 2.272 -2.679 -2.218) 4.155 9.434 ( 11.157 2.225 4.276) 12.153 9.599 ( 12.620 -0.178 -4.609) 13.436 9.757 ( 4.925 5.958 0.717) 7.763 9.931 ( 2.507 2.660 -1.424) 3.923 10.165 ( 4.602 -3.404 7.071) 9.097 10.201 ( -2.311 -3.390 -1.117) 4.252 10.959 ( -0.306 3.449 -0.092) 3.464 11.294 ( -19.962 4.174 0.354) 20.397 11.557 ( -0.585 7.041 9.549) 11.879 11.803 ( 1.914 3.141 -4.765) 6.019 11.961 ( 3.923 6.972 2.085) 8.267 12.279 ( 1.424 5.015 -5.289) 7.426 12.402 ( 0.229 -6.067 16.387) 17.475 12.684 ( 7.178 -9.306 -0.550) 11.765 12.773 ( 4.591 0.630 -14.319) 15.050 13.206 ( -9.053 -5.558 -7.592) 13.057 13.753 ( 4.004 -4.241 0.595) 5.863 13.884 ( -3.088 -4.688 0.312) 5.622 14.095 ( -6.373 1.129 -2.421) 6.910 14.167 ( -4.837 -0.804 -6.782) 8.369 15.314 ( 6.623 4.798 0.518) 8.195 15.419 ( 1.694 2.220 3.428) 4.421 16.302 ( -1.735 0.685 3.170) 3.678 16.326 ( -0.779 0.548 1.291) 1.604 ======================= Grid point 217 (119/125) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 3.329 6.649 6.734) 10.032 1.225 ( -1.726 2.208 1.175) 3.039 1.294 ( -0.143 -1.167 -0.271) 1.207 1.325 ( -1.835 0.691 -0.092) 1.963 1.454 ( 0.304 1.964 -0.859) 2.165 1.540 ( -1.396 -6.210 -6.803) 9.317 1.557 ( 0.589 1.887 1.785) 2.664 1.591 ( -1.178 -1.620 -1.426) 2.458 1.859 ( -0.376 3.756 2.301) 4.421 1.887 ( 0.344 1.468 -0.667) 1.649 2.056 ( 2.326 -2.161 0.617) 3.234 2.106 ( -0.052 -6.173 -4.085) 7.403 2.320 ( -1.194 5.780 4.489) 7.415 2.410 ( 0.814 5.663 -4.448) 7.247 2.474 ( -0.035 -8.545 3.216) 9.131 2.545 ( -0.380 -7.499 -4.129) 8.569 2.980 ( 2.153 2.973 4.935) 6.151 3.048 ( -1.121 -3.661 -1.251) 4.028 3.396 ( 0.557 4.228 2.012) 4.715 3.465 ( -1.427 -2.388 -4.112) 4.965 4.216 ( -4.535 9.272 9.455) 13.997 4.336 ( -0.372 -0.131 0.774) 0.868 4.558 ( 0.907 0.552 -0.983) 1.447 4.634 ( 2.002 -4.787 -5.099) 7.275 5.029 ( 5.490 -1.106 0.701) 5.644 5.040 ( -1.539 -2.170 -0.106) 2.663 5.339 ( 1.009 -1.427 -3.135) 3.589 5.352 ( -0.151 -2.526 -4.142) 4.854 5.967 ( -3.235 1.634 2.399) 4.346 5.994 ( -1.611 -0.982 -0.248) 1.903 6.467 ( -2.178 1.963 6.710) 7.323 6.519 ( 2.439 -3.369 1.928) 4.584 7.942 ( -0.085 2.548 -1.220) 2.826 7.965 ( 1.820 1.065 -3.339) 3.949 8.027 ( -0.212 -0.304 1.255) 1.309 8.062 ( -0.002 -2.495 -2.264) 3.369 9.608 ( -0.989 0.482 3.107) 3.296 9.654 ( 1.420 -4.245 -1.216) 4.639 9.870 ( -0.508 3.884 1.095) 4.067 9.907 ( -3.615 0.197 -2.644) 4.483 10.347 ( 8.152 3.859 3.459) 9.660 10.371 ( 1.408 1.682 1.627) 2.731 10.946 ( -5.770 -0.072 1.150) 5.884 10.967 ( -1.659 -2.447 -0.217) 2.964 11.713 ( -7.611 8.035 12.328) 16.567 11.829 ( -0.593 -3.052 5.020) 5.905 12.102 ( -0.696 4.276 0.435) 4.354 12.193 ( -0.123 -4.653 -3.287) 5.698 12.544 ( 4.432 5.721 1.815) 7.461 12.669 ( 4.450 -7.046 -5.735) 10.116 12.835 ( 1.192 3.053 -4.911) 5.904 12.900 ( -2.485 -3.076 -8.740) 9.593 13.779 ( 2.493 -0.372 1.328) 2.849 13.802 ( -0.153 -2.167 -0.395) 2.208 13.984 ( -1.534 1.025 -1.836) 2.602 14.030 ( 1.450 -3.311 -5.691) 6.742 15.475 ( -0.461 2.399 1.727) 2.992 15.491 ( 1.526 0.819 0.186) 1.742 16.296 ( -1.960 0.988 3.008) 3.723 16.319 ( 0.425 -1.373 0.660) 1.582 ======================= Grid point 218 (120/125) ======================= q-point: ( 0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -1.386 7.497 -4.849) 9.035 1.237 ( 1.069 3.157 3.191) 4.614 1.303 ( 1.461 -0.907 0.438) 1.775 1.349 ( 1.549 -0.742 0.955) 1.965 1.508 ( 3.804 -2.082 2.663) 5.088 1.532 ( 4.556 -2.934 -1.232) 5.558 1.603 ( 3.688 3.553 1.490) 5.334 1.653 ( 6.503 -0.373 1.459) 6.675 1.847 ( 0.571 4.596 0.090) 4.632 1.937 ( 3.636 -2.794 -0.102) 4.586 2.060 ( 0.434 -0.506 -3.191) 3.259 2.127 ( 3.249 -5.499 -1.476) 6.556 2.327 ( -1.658 4.584 3.473) 5.985 2.404 ( 1.579 6.894 -3.016) 7.688 2.454 ( -1.692 -8.631 0.699) 8.823 2.578 ( 3.977 -9.228 0.360) 10.055 2.995 ( -1.459 2.434 -3.082) 4.189 3.048 ( 0.556 -2.065 1.685) 2.723 3.397 ( -2.351 2.387 -2.482) 4.170 3.432 ( 0.204 -0.795 3.260) 3.362 4.200 ( -5.072 9.300 10.066) 14.613 4.347 ( -0.575 -2.731 3.297) 4.319 4.498 ( -3.867 2.390 -3.953) 6.024 4.596 ( -0.456 -5.120 -7.008) 8.691 4.963 ( -3.311 2.765 -2.632) 5.053 5.054 ( -1.381 -5.954 -1.574) 6.311 5.371 ( 4.061 2.624 -1.110) 4.960 5.446 ( 5.576 -4.743 -2.075) 7.609 5.924 ( -0.373 1.351 3.395) 3.672 5.961 ( -1.281 -2.075 3.638) 4.379 6.553 ( 5.505 3.810 2.614) 7.187 6.634 ( 7.002 -4.220 0.253) 8.180 7.909 ( -1.961 3.788 -1.277) 4.453 7.949 ( -0.932 0.155 -2.770) 2.927 8.013 ( -2.345 -1.539 1.169) 3.039 8.022 ( -2.249 -2.055 -1.092) 3.236 9.461 ( -12.152 1.204 1.462) 12.298 9.512 ( -11.833 -3.556 -1.982) 12.514 9.903 ( -7.040 5.394 4.305) 9.859 9.936 ( 0.477 1.181 3.437) 3.665 10.179 ( -5.409 1.183 -3.776) 6.702 10.236 ( -9.412 -3.891 -6.410) 12.034 11.027 ( 6.468 8.033 5.147) 11.526 11.192 ( 9.672 -8.357 5.517) 13.922 11.707 ( -1.081 11.338 10.302) 15.357 11.853 ( -1.263 -1.201 1.579) 2.351 12.070 ( -4.992 2.164 8.342) 9.960 12.176 ( 2.365 -5.315 -3.324) 6.700 12.509 ( -5.871 2.613 -8.415) 10.589 12.606 ( 0.273 -5.430 -10.015) 11.395 12.809 ( 2.484 7.727 -1.906) 8.337 12.977 ( 6.425 -8.114 1.129) 10.411 13.761 ( -0.317 1.034 -1.646) 1.969 13.791 ( -0.011 -1.889 0.850) 2.072 14.060 ( 7.609 1.822 0.416) 7.835 14.118 ( 8.862 -4.160 -3.970) 10.564 15.417 ( -5.140 4.313 -0.578) 6.735 15.476 ( -2.904 -1.564 -1.308) 3.549 16.300 ( -0.069 2.411 2.913) 3.782 16.346 ( 1.506 -2.210 0.811) 2.794 ======================= Grid point 219 (121/125) ======================= q-point: ( 0.29 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 2.198 4.714 -3.620) 6.337 1.227 ( -0.585 -5.105 -1.087) 5.252 1.329 ( -0.836 2.322 0.718) 2.570 1.386 ( 2.793 0.192 -0.279) 2.813 1.588 ( 2.638 2.049 0.561) 3.387 1.654 ( 5.768 -2.571 1.413) 6.471 1.720 ( 6.219 6.006 3.219) 9.225 1.801 ( 6.411 -0.289 1.398) 6.568 1.918 ( 5.032 2.150 2.343) 5.953 1.988 ( 0.509 -3.751 -0.311) 3.798 2.085 ( 4.807 2.627 -1.628) 5.715 2.159 ( 2.163 -5.506 -2.910) 6.593 2.334 ( 1.107 3.058 2.246) 3.952 2.400 ( 0.268 2.809 -0.372) 2.846 2.479 ( 2.682 -1.390 1.832) 3.532 2.664 ( 3.623 -10.503 1.940) 11.279 2.945 ( -0.120 2.825 -4.425) 5.252 3.030 ( -2.817 -4.498 0.702) 5.354 3.318 ( -4.515 6.834 -2.539) 8.575 3.433 ( -2.858 -4.216 1.149) 5.222 4.188 ( -5.121 8.115 10.637) 14.326 4.329 ( -7.487 -5.955 8.629) 12.883 4.424 ( 4.242 6.210 -11.032) 13.351 4.529 ( 1.351 -4.578 -10.162) 11.227 4.909 ( -0.605 3.192 -1.293) 3.496 5.015 ( -1.834 -7.190 -0.149) 7.422 5.367 ( -3.040 3.931 -0.872) 5.045 5.443 ( -3.291 -3.621 -1.194) 5.036 6.048 ( 8.790 0.832 4.260) 9.803 6.083 ( 10.183 -2.751 3.529) 11.123 6.649 ( 2.191 3.986 0.385) 4.565 6.728 ( 1.871 -3.968 -0.254) 4.394 7.864 ( -1.736 3.664 -0.609) 4.100 7.898 ( -2.036 0.259 -1.271) 2.414 7.963 ( -2.495 -1.655 -0.348) 3.014 7.981 ( -1.862 -2.731 -0.038) 3.306 9.244 ( -10.746 0.345 1.046) 10.803 9.272 ( -11.047 -2.307 -0.714) 11.307 9.673 ( -12.505 5.968 0.261) 13.858 9.770 ( -12.203 -3.604 -1.957) 12.874 10.212 ( 6.299 3.260 3.319) 7.831 10.286 ( 8.416 -3.788 2.966) 9.694 11.055 ( -5.481 8.275 1.442) 10.030 11.233 ( -7.594 -9.747 3.493) 12.840 11.744 ( -8.627 7.946 7.958) 14.174 11.879 ( 2.355 -1.958 5.901) 6.649 12.053 ( -1.386 8.671 7.637) 11.638 12.263 ( 5.492 -8.427 -2.318) 10.322 12.328 ( 0.263 9.012 -17.913) 20.054 12.542 ( 3.685 -9.277 -12.655) 16.118 12.866 ( 3.299 8.183 1.257) 8.912 13.062 ( 0.404 -10.027 2.844) 10.430 13.813 ( 5.572 1.881 1.405) 6.046 13.846 ( 3.534 -1.327 4.183) 5.634 14.197 ( 5.531 1.669 0.496) 5.798 14.243 ( 7.130 -3.449 -3.734) 8.756 15.302 ( -5.170 4.831 -1.981) 7.348 15.379 ( -4.777 -2.813 -3.202) 6.402 16.331 ( 0.578 2.967 2.846) 4.152 16.377 ( 0.873 -1.703 0.819) 2.082 ======================= Grid point 220 (122/125) ======================= q-point: ( 0.43 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 3.055 -0.301 -0.998) 3.228 1.202 ( -1.731 -6.042 -0.833) 6.340 1.334 ( 0.813 3.584 2.626) 4.517 1.425 ( 1.351 -4.410 -1.286) 4.789 1.643 ( 4.936 6.461 -2.560) 8.524 1.712 ( -1.401 1.993 0.451) 2.477 1.824 ( 0.100 2.789 -0.437) 2.825 1.868 ( 0.942 0.778 -0.090) 1.225 1.978 ( -0.082 -2.462 4.508) 5.137 2.023 ( 2.327 -4.023 3.664) 5.918 2.141 ( 2.020 1.504 -2.486) 3.539 2.188 ( 3.216 -2.304 -4.042) 5.656 2.397 ( 1.418 3.544 1.689) 4.174 2.422 ( 1.692 4.138 0.152) 4.473 2.581 ( 5.135 1.008 5.355) 7.488 2.733 ( 2.237 -7.468 0.963) 7.855 2.935 ( 3.043 2.474 -3.871) 5.510 2.992 ( -3.063 -1.555 2.851) 4.464 3.195 ( -3.522 3.108 -2.870) 5.505 3.329 ( -6.911 -7.704 -3.014) 10.779 4.170 ( -5.193 6.188 9.524) 12.488 4.254 ( -5.037 -1.954 5.301) 7.569 4.442 ( 4.510 3.159 -8.150) 9.836 4.499 ( 3.987 -2.421 -10.093) 11.118 4.915 ( 0.439 0.552 1.535) 1.690 4.967 ( -3.508 -4.591 1.182) 5.897 5.323 ( 0.882 2.061 -1.896) 2.936 5.367 ( -1.882 -2.356 -2.565) 3.959 6.260 ( 7.928 1.851 4.788) 9.444 6.302 ( 7.599 -2.180 3.311) 8.571 6.636 ( -2.569 1.785 -0.058) 3.129 6.685 ( -5.711 -3.093 -0.123) 6.496 7.840 ( -0.612 3.180 0.375) 3.260 7.870 ( -0.080 1.904 -1.041) 2.171 7.928 ( -0.789 -2.668 0.038) 2.782 7.956 ( -0.023 -3.211 -1.325) 3.474 9.104 ( -4.635 -0.323 1.241) 4.810 9.122 ( -3.354 -2.036 -1.046) 4.061 9.517 ( -4.362 4.093 1.174) 6.096 9.589 ( -4.291 -3.041 -3.360) 6.241 10.372 ( 3.989 5.589 9.701) 11.885 10.473 ( 5.398 -4.292 6.622) 9.561 10.925 ( -5.457 5.806 -1.969) 8.207 11.059 ( -8.463 -7.827 -3.733) 12.117 11.671 ( -6.763 8.505 14.589) 18.191 11.853 ( -9.708 -10.020 15.649) 20.965 12.106 ( 5.081 5.938 -14.620) 16.578 12.209 ( 3.184 0.153 -14.449) 14.796 12.363 ( 6.616 9.506 -3.560) 12.117 12.521 ( 1.101 -0.984 -8.602) 8.728 12.966 ( 6.687 -2.293 0.037) 7.069 13.045 ( -3.608 -7.859 1.876) 8.849 13.916 ( -1.799 3.265 9.774) 10.461 13.962 ( 3.879 -1.385 3.824) 5.620 14.275 ( 3.838 1.670 -1.940) 4.614 14.330 ( 6.995 -3.932 -6.848) 10.549 15.214 ( -2.428 3.693 -1.127) 4.561 15.269 ( -3.424 -1.777 -3.654) 5.314 16.358 ( -0.182 2.474 2.834) 3.766 16.389 ( -0.382 -0.576 0.821) 1.073 ======================= Grid point 221 (123/125) ======================= q-point: (-0.43 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -2.864 -1.392 -1.071) 3.359 1.192 ( 1.905 -5.599 -0.043) 5.915 1.389 ( 1.330 -0.960 1.941) 2.541 1.408 ( -0.179 -2.588 -3.440) 4.309 1.597 ( -7.549 8.850 0.065) 11.632 1.726 ( 3.134 0.893 -1.734) 3.691 1.787 ( -6.088 -1.151 4.272) 7.526 1.823 ( -3.563 -0.961 3.420) 5.031 2.021 ( -1.104 3.776 2.985) 4.938 2.079 ( 0.733 -1.981 0.217) 2.123 2.131 ( -0.521 -0.643 -3.841) 3.929 2.195 ( 2.618 -5.425 -5.928) 8.451 2.389 ( -3.458 6.690 2.915) 8.075 2.425 ( -1.535 4.344 -0.029) 4.608 2.691 ( -1.070 -1.729 0.846) 2.203 2.705 ( -2.692 -3.288 -1.626) 4.550 2.894 ( -4.858 7.168 -0.438) 8.670 3.040 ( 6.878 -0.594 -1.401) 7.044 3.177 ( -2.363 -4.047 -0.719) 4.741 3.269 ( 7.911 -7.154 2.121) 10.875 4.153 ( -4.208 6.008 9.947) 12.359 4.242 ( -1.415 -2.647 6.604) 7.254 4.446 ( 3.223 3.644 -9.145) 10.358 4.507 ( 4.780 -2.727 -9.607) 11.072 4.883 ( -4.325 2.200 4.030) 6.307 4.966 ( 0.672 -5.783 1.725) 6.072 5.347 ( 3.498 1.230 -4.026) 5.473 5.378 ( 5.662 -1.747 -3.487) 6.876 6.310 ( -7.135 1.004 0.920) 7.263 6.331 ( -6.605 -1.186 0.242) 6.715 6.595 ( -2.445 1.276 3.596) 4.531 6.636 ( 0.846 -2.486 4.197) 4.951 7.849 ( 1.028 2.530 0.702) 2.820 7.871 ( 1.421 2.615 -1.980) 3.574 7.932 ( 0.805 -2.466 0.188) 2.601 7.962 ( 2.484 -3.488 -2.554) 4.986 9.101 ( 3.517 0.485 0.740) 3.627 9.137 ( 5.854 -3.089 -1.596) 6.808 9.526 ( 3.629 1.918 2.438) 4.774 9.557 ( 3.496 -1.252 -2.743) 4.617 10.431 ( -7.585 4.933 7.169) 11.544 10.496 ( -6.734 -1.386 2.756) 7.407 10.901 ( 1.772 2.427 2.024) 3.623 10.990 ( 6.524 -6.148 -0.270) 8.969 11.734 ( 0.069 5.315 15.146) 16.052 11.849 ( -3.736 -6.068 16.416) 17.896 12.056 ( 5.128 7.632 -17.962) 20.178 12.196 ( 7.016 -2.931 -12.577) 14.697 12.382 ( -4.543 5.477 -3.413) 7.892 12.459 ( -0.651 2.721 -3.505) 4.485 12.982 ( -2.468 -0.374 -1.591) 2.960 13.087 ( 6.296 -9.031 -2.604) 11.313 13.883 ( -8.849 4.693 8.880) 13.386 13.978 ( -6.558 -4.884 5.978) 10.129 14.324 ( 4.919 2.964 -7.874) 9.746 14.384 ( 4.291 -2.986 -9.842) 11.145 15.203 ( 0.781 1.549 1.469) 2.274 15.218 ( 0.995 0.139 -0.334) 1.059 16.367 ( -1.422 1.541 2.969) 3.634 16.377 ( -1.496 0.447 0.938) 1.822 ======================= Grid point 222 (124/125) ======================= q-point: (-0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -3.064 3.062 -0.968) 4.439 1.205 ( -0.769 -9.090 0.369) 9.130 1.348 ( -1.576 3.881 -1.856) 4.582 1.398 ( -1.540 -0.438 -1.633) 2.287 1.551 ( 0.830 2.493 4.122) 4.889 1.658 ( -6.343 -5.330 1.657) 8.449 1.713 ( -6.782 4.613 2.685) 8.631 1.796 ( -3.510 -2.648 1.706) 4.716 1.965 ( -6.418 5.560 0.587) 8.512 2.036 ( -3.622 -1.978 -2.020) 4.595 2.068 ( -1.941 3.558 -4.438) 6.010 2.182 ( 0.148 -6.996 -4.935) 8.563 2.339 ( -3.339 6.757 2.684) 8.001 2.397 ( -0.475 3.831 -0.202) 3.866 2.551 ( -4.253 -0.564 -4.842) 6.469 2.685 ( -3.554 -10.329 0.657) 10.943 2.861 ( -0.038 7.012 2.239) 7.361 3.046 ( -0.126 -11.368 -0.537) 11.382 3.286 ( 7.019 9.515 0.621) 11.840 3.435 ( 6.379 -5.449 1.086) 8.460 4.178 ( -2.567 7.285 11.249) 13.646 4.302 ( 0.409 -5.249 10.157) 11.440 4.427 ( 3.947 5.763 -11.234) 13.228 4.528 ( 6.098 -4.856 -9.771) 12.500 4.866 ( -0.399 4.124 2.853) 5.031 4.987 ( 0.092 -7.804 2.483) 8.190 5.402 ( 4.615 2.642 -4.056) 6.688 5.460 ( 4.568 -3.053 -2.842) 6.186 6.121 ( -10.393 -0.230 -2.500) 10.692 6.137 ( -9.110 -1.625 -1.458) 9.368 6.587 ( -4.677 3.210 6.253) 8.443 6.647 ( -5.528 -2.684 7.229) 9.488 7.885 ( 2.505 1.482 -0.560) 2.964 7.896 ( 2.931 1.452 -1.907) 3.786 7.960 ( 2.324 -0.040 -0.480) 2.373 8.006 ( 4.051 -3.344 -2.893) 5.997 9.239 ( 9.899 1.626 0.777) 10.062 9.300 ( 12.186 -4.555 -2.267) 13.205 9.668 ( 9.956 2.422 0.814) 10.279 9.701 ( 11.824 -0.953 3.051) 12.249 10.263 ( -10.242 3.990 -0.705) 11.015 10.327 ( -10.546 -2.327 -0.309) 10.805 11.005 ( 3.500 6.448 6.293) 9.666 11.164 ( 4.812 -9.709 8.467) 13.752 11.848 ( 0.850 3.590 5.708) 6.796 11.913 ( -1.015 -2.455 3.098) 4.081 12.046 ( -2.847 17.010 5.533) 18.112 12.237 ( 5.586 5.595 -9.510) 12.367 12.316 ( 10.589 -9.063 -10.424) 17.405 12.375 ( -7.459 -7.403 2.297) 10.758 12.936 ( 0.452 8.522 -5.903) 10.376 13.142 ( 2.294 -10.664 -5.222) 12.093 13.768 ( -7.707 3.396 4.845) 9.716 13.861 ( -8.328 -5.860 4.063) 10.963 14.292 ( -1.716 1.400 -9.000) 9.268 14.305 ( -4.052 -0.034 -8.933) 9.810 15.266 ( 5.106 2.794 1.584) 6.032 15.307 ( 5.329 -1.278 3.748) 6.639 16.347 ( -2.352 1.142 1.550) 3.040 16.356 ( -2.262 0.355 2.510) 3.397 ======================= Grid point 223 (125/125) ======================= q-point: (-0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.450 5.587 2.317) 6.065 1.195 ( -0.644 -7.921 3.008) 8.497 1.326 ( -1.007 4.110 1.295) 4.426 1.362 ( -1.475 0.759 -0.696) 1.799 1.546 ( -6.210 2.672 -2.467) 7.196 1.581 ( -3.854 2.283 2.451) 5.106 1.608 ( -0.725 -2.164 -3.424) 4.115 1.688 ( -6.667 -3.969 -1.749) 7.954 1.853 ( -2.889 5.207 0.335) 5.964 1.935 ( -4.673 -2.330 0.181) 5.225 2.030 ( 0.465 2.937 -1.918) 3.539 2.143 ( -0.459 -7.205 -3.492) 8.020 2.316 ( -2.031 6.049 3.837) 7.446 2.408 ( 1.700 4.282 -0.822) 4.679 2.473 ( -1.365 -3.958 -2.298) 4.776 2.612 ( -3.189 -10.592 -1.961) 11.234 2.904 ( 1.419 6.119 4.536) 7.748 3.057 ( 0.208 -9.041 1.092) 9.109 3.370 ( 2.189 8.624 -0.259) 8.901 3.500 ( 1.318 -4.244 -2.753) 5.228 4.212 ( -3.328 9.097 10.332) 14.163 4.348 ( -2.250 -2.330 3.900) 5.069 4.479 ( 7.848 3.359 -3.873) 9.374 4.592 ( 7.431 -6.156 -7.964) 12.512 4.913 ( 3.548 2.940 2.295) 5.148 5.017 ( 1.326 -7.371 1.817) 7.706 5.399 ( -2.322 1.985 -3.580) 4.706 5.456 ( -3.343 -3.602 -2.688) 5.601 5.978 ( -1.542 1.778 -1.780) 2.951 6.023 ( -1.347 -2.376 -2.326) 3.587 6.517 ( -7.152 1.755 6.766) 10.000 6.555 ( -8.833 -2.173 7.083) 11.529 7.927 ( 2.564 1.240 -1.437) 3.190 7.940 ( 3.026 1.102 -2.274) 3.942 8.003 ( 2.017 0.943 0.116) 2.230 8.053 ( 2.964 -2.916 -2.848) 5.040 9.456 ( 10.936 1.506 1.733) 11.174 9.518 ( 11.706 -4.713 -2.118) 12.796 9.902 ( 7.207 6.617 3.733) 10.471 9.980 ( 7.943 -0.243 0.664) 7.975 10.124 ( 1.359 0.123 2.255) 2.636 10.157 ( -0.235 -2.050 -1.135) 2.355 11.050 ( -4.847 6.126 3.963) 8.759 11.196 ( -9.990 -8.265 5.416) 14.052 11.789 ( -7.511 9.348 3.301) 12.437 11.848 ( -5.411 1.047 3.221) 6.383 12.069 ( 2.732 6.420 1.627) 7.164 12.239 ( -4.619 -7.848 1.311) 9.200 12.397 ( 10.342 3.619 -2.385) 11.213 12.508 ( 13.334 -7.669 -4.655) 16.071 12.887 ( -0.011 9.398 -8.053) 12.376 13.071 ( -4.472 -8.392 -7.691) 12.231 13.719 ( 0.028 1.022 2.433) 2.639 13.783 ( -1.701 -4.924 2.355) 5.717 14.120 ( -7.684 1.561 -5.405) 9.523 14.150 ( -5.835 -1.248 -7.137) 9.303 15.393 ( 5.889 3.143 1.818) 6.918 15.433 ( 4.164 -0.754 2.862) 5.109 16.317 ( -2.176 0.758 1.928) 3.004 16.328 ( -2.266 -0.321 1.912) 2.983 =================== 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 3/26460 10.0 127.697 95.269 61.978 0.000 -25.797 0.000 3/26460 20.0 27.026 22.448 14.761 0.000 -3.927 0.000 3/26460 30.0 13.561 11.812 8.146 0.000 -1.559 0.000 3/26460 40.0 9.000 8.144 5.730 0.000 -0.929 0.000 3/26460 50.0 6.739 6.271 4.455 0.000 -0.676 0.000 3/26460 60.0 5.391 5.115 3.656 0.000 -0.544 0.000 3/26460 70.0 4.500 4.326 3.104 0.000 -0.462 0.000 3/26460 80.0 3.869 3.752 2.701 0.000 -0.405 0.000 3/26460 90.0 3.399 3.317 2.394 0.000 -0.362 0.000 3/26460 100.0 3.036 2.975 2.154 0.000 -0.328 0.000 3/26460 110.0 2.748 2.701 1.960 0.000 -0.301 0.000 3/26460 120.0 2.512 2.475 1.802 0.000 -0.279 0.000 3/26460 130.0 2.317 2.285 1.669 0.000 -0.260 0.000 3/26460 140.0 2.151 2.124 1.557 0.000 -0.244 0.000 3/26460 150.0 2.009 1.986 1.460 0.000 -0.230 0.000 3/26460 160.0 1.886 1.865 1.375 0.000 -0.218 0.000 3/26460 170.0 1.777 1.758 1.301 0.000 -0.207 0.000 3/26460 180.0 1.681 1.664 1.235 0.000 -0.198 0.000 3/26460 190.0 1.595 1.579 1.176 0.000 -0.189 0.000 3/26460 200.0 1.518 1.503 1.122 0.000 -0.181 0.000 3/26460 210.0 1.448 1.434 1.074 0.000 -0.174 0.000 3/26460 220.0 1.385 1.371 1.029 0.000 -0.167 0.000 3/26460 230.0 1.327 1.313 0.989 0.000 -0.161 0.000 3/26460 240.0 1.273 1.261 0.951 0.000 -0.156 0.000 3/26460 250.0 1.224 1.212 0.916 0.000 -0.150 0.000 3/26460 260.0 1.179 1.167 0.884 0.000 -0.145 0.000 3/26460 270.0 1.136 1.125 0.854 0.000 -0.141 0.000 3/26460 280.0 1.097 1.086 0.826 0.000 -0.136 0.000 3/26460 290.0 1.061 1.050 0.800 0.000 -0.132 0.000 3/26460 300.0 1.026 1.016 0.775 0.000 -0.129 0.000 3/26460 310.0 0.994 0.984 0.752 0.000 -0.125 0.000 3/26460 320.0 0.964 0.954 0.730 0.000 -0.122 0.000 3/26460 330.0 0.936 0.926 0.709 0.000 -0.118 0.000 3/26460 340.0 0.909 0.900 0.690 0.000 -0.115 0.000 3/26460 350.0 0.884 0.875 0.671 0.000 -0.112 0.000 3/26460 360.0 0.860 0.851 0.654 0.000 -0.109 0.000 3/26460 370.0 0.837 0.828 0.637 0.000 -0.107 0.000 3/26460 380.0 0.816 0.807 0.621 0.000 -0.104 0.000 3/26460 390.0 0.795 0.787 0.606 0.000 -0.102 0.000 3/26460 400.0 0.776 0.768 0.592 0.000 -0.099 0.000 3/26460 410.0 0.757 0.749 0.578 0.000 -0.097 0.000 3/26460 420.0 0.740 0.732 0.565 0.000 -0.095 0.000 3/26460 430.0 0.723 0.715 0.553 0.000 -0.093 0.000 3/26460 440.0 0.707 0.699 0.541 0.000 -0.091 0.000 3/26460 450.0 0.691 0.684 0.529 0.000 -0.089 0.000 3/26460 460.0 0.676 0.669 0.518 0.000 -0.087 0.000 3/26460 470.0 0.662 0.655 0.508 0.000 -0.086 0.000 3/26460 480.0 0.649 0.642 0.498 0.000 -0.084 0.000 3/26460 490.0 0.636 0.629 0.488 0.000 -0.082 0.000 3/26460 500.0 0.623 0.617 0.478 0.000 -0.081 0.000 3/26460 510.0 0.611 0.605 0.469 0.000 -0.079 0.000 3/26460 520.0 0.600 0.593 0.461 0.000 -0.078 0.000 3/26460 530.0 0.589 0.582 0.452 0.000 -0.077 0.000 3/26460 540.0 0.578 0.572 0.444 0.000 -0.075 0.000 3/26460 550.0 0.567 0.561 0.436 0.000 -0.074 0.000 3/26460 560.0 0.557 0.551 0.429 0.000 -0.073 0.000 3/26460 570.0 0.548 0.542 0.421 0.000 -0.072 0.000 3/26460 580.0 0.538 0.533 0.414 0.000 -0.070 0.000 3/26460 590.0 0.529 0.524 0.408 0.000 -0.069 0.000 3/26460 600.0 0.521 0.515 0.401 0.000 -0.068 0.000 3/26460 610.0 0.512 0.507 0.395 0.000 -0.067 0.000 3/26460 620.0 0.504 0.499 0.388 0.000 -0.066 0.000 3/26460 630.0 0.496 0.491 0.382 0.000 -0.065 0.000 3/26460 640.0 0.489 0.483 0.377 0.000 -0.064 0.000 3/26460 650.0 0.481 0.476 0.371 0.000 -0.063 0.000 3/26460 660.0 0.474 0.469 0.365 0.000 -0.062 0.000 3/26460 670.0 0.467 0.462 0.360 0.000 -0.061 0.000 3/26460 680.0 0.460 0.455 0.355 0.000 -0.060 0.000 3/26460 690.0 0.453 0.448 0.350 0.000 -0.060 0.000 3/26460 700.0 0.447 0.442 0.345 0.000 -0.059 0.000 3/26460 710.0 0.441 0.436 0.340 0.000 -0.058 0.000 3/26460 720.0 0.435 0.430 0.336 0.000 -0.057 0.000 3/26460 730.0 0.429 0.424 0.331 0.000 -0.056 0.000 3/26460 740.0 0.423 0.418 0.327 0.000 -0.056 0.000 3/26460 750.0 0.417 0.413 0.322 0.000 -0.055 0.000 3/26460 760.0 0.412 0.407 0.318 0.000 -0.054 0.000 3/26460 770.0 0.407 0.402 0.314 0.000 -0.054 0.000 3/26460 780.0 0.402 0.397 0.310 0.000 -0.053 0.000 3/26460 790.0 0.397 0.392 0.306 0.000 -0.052 0.000 3/26460 800.0 0.392 0.387 0.303 0.000 -0.052 0.000 3/26460 810.0 0.387 0.382 0.299 0.000 -0.051 0.000 3/26460 820.0 0.382 0.378 0.295 0.000 -0.050 0.000 3/26460 830.0 0.378 0.373 0.292 0.000 -0.050 0.000 3/26460 840.0 0.373 0.369 0.288 0.000 -0.049 0.000 3/26460 850.0 0.369 0.365 0.285 0.000 -0.049 0.000 3/26460 860.0 0.364 0.360 0.282 0.000 -0.048 0.000 3/26460 870.0 0.360 0.356 0.279 0.000 -0.048 0.000 3/26460 880.0 0.356 0.352 0.276 0.000 -0.047 0.000 3/26460 890.0 0.352 0.348 0.272 0.000 -0.047 0.000 3/26460 900.0 0.348 0.344 0.269 0.000 -0.046 0.000 3/26460 910.0 0.345 0.341 0.267 0.000 -0.046 0.000 3/26460 920.0 0.341 0.337 0.264 0.000 -0.045 0.000 3/26460 930.0 0.337 0.333 0.261 0.000 -0.045 0.000 3/26460 940.0 0.334 0.330 0.258 0.000 -0.044 0.000 3/26460 950.0 0.330 0.326 0.255 0.000 -0.044 0.000 3/26460 960.0 0.327 0.323 0.253 0.000 -0.043 0.000 3/26460 970.0 0.323 0.320 0.250 0.000 -0.043 0.000 3/26460 980.0 0.320 0.316 0.248 0.000 -0.042 0.000 3/26460 990.0 0.317 0.313 0.245 0.000 -0.042 0.000 3/26460 1000.0 0.314 0.310 0.243 0.000 -0.042 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m797.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:55:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|