----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.629932835996846 2.095742700003036 12.015384203333321 b -3.629932835996839 2.095742700003036 12.015384203333321 c 0.000000000000004 -4.191485400006078 12.015384203333321 Atomic positions (fractional): *1 Cs 0.12557143658098 0.12557143658098 0.12557143658098 132.905 *2 Cs 0.29101311204619 0.29101311204619 0.29101311204619 132.905 3 Cs 0.87442856341902 0.87442856341902 0.87442856341902 132.905 4 Cs 0.70898688795381 0.70898688795381 0.70898688795381 132.905 *5 Li 0.58720411155947 0.58720411155947 0.58720411155947 6.941 6 Li 0.41279588844054 0.41279588844054 0.41279588844054 6.941 *7 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 *8 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 *9 Cl 0.79597579506714 0.79597579506714 0.28695341465593 35.453 10 Cl 0.20402420493286 0.20402420493286 0.71304658534407 35.453 *11 Cl 0.86124967889774 0.38258843500659 0.38258843500659 35.453 12 Cl 0.38258843500659 0.38258843500659 0.86124967889774 35.453 13 Cl 0.13875032110226 0.61741156499341 0.61741156499341 35.453 14 Cl 0.38258843500659 0.86124967889774 0.38258843500659 35.453 15 Cl 0.28695341465593 0.79597579506714 0.79597579506714 35.453 16 Cl 0.61741156499341 0.13875032110226 0.61741156499341 35.453 17 Cl 0.20402420493286 0.71304658534407 0.20402420493286 35.453 18 Cl 0.61741156499341 0.61741156499341 0.13875032110226 35.453 19 Cl 0.71304658534407 0.20402420493286 0.20402420493286 35.453 20 Cl 0.79597579506714 0.28695341465593 0.79597579506714 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.259865671993685 0.000000000000000 0.000000000000000 b -3.629932835996843 6.287228100009115 0.000000000000000 c 0.000000000000000 0.000000000000000 36.046152610000000 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.12557143658098 132.905 > 1 *2 Cs 0.00000000000000 0.00000000000000 0.29101311204619 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.20776189675235 132.905 > 3 4 Cs 0.66666666666667 0.33333333333333 0.04232022128715 132.905 > 4 5 Cs 0.66666666666667 0.33333333333333 0.45890476991432 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.62434644537952 132.905 > 2 7 Cs 0.33333333333333 0.66666666666667 0.54109523008569 132.905 > 3 8 Cs 0.33333333333333 0.66666666666667 0.37565355462048 132.905 > 4 9 Cs 0.33333333333333 0.66666666666667 0.79223810324765 132.905 > 1 10 Cs 0.33333333333333 0.66666666666667 0.95767977871285 132.905 > 2 11 Cs 0.00000000000000 0.00000000000000 0.87442856341902 132.905 > 3 12 Cs 0.00000000000000 0.00000000000000 0.70898688795381 132.905 > 4 *13 Li 0.33333333333333 0.66666666666667 0.25387077822613 6.941 > 5 14 Li 0.33333333333333 0.66666666666667 0.07946255510720 6.941 > 6 15 Li 0.00000000000000 0.00000000000000 0.58720411155946 6.941 > 5 16 Li 0.00000000000000 0.00000000000000 0.41279588844053 6.941 > 6 17 Li 0.66666666666667 0.33333333333333 0.92053744489280 6.941 > 5 18 Li 0.66666666666667 0.33333333333333 0.74612922177387 6.941 > 6 *19 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 7 *20 In 0.33333333333333 0.66666666666667 0.16666666666667 114.818 > 8 21 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 7 22 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 8 23 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 7 24 In 0.66666666666667 0.33333333333333 0.83333333333333 114.818 > 8 *25 Cl 0.50300746013707 0.00601492027414 0.29296833493007 35.453 > 9 26 Cl 0.16365920652960 0.32731841305919 0.04036499840326 35.453 > 10 *27 Cl 0.65244082926076 0.82622041463038 0.20880884963697 35.453 > 11 28 Cl 0.17377958536962 0.34755917073923 0.20880884963697 35.453 > 12 29 Cl 0.01422583740590 0.50711291870295 0.12452448369636 35.453 > 13 30 Cl 0.17377958536962 0.82622041463038 0.20880884963697 35.453 > 14 31 Cl 0.99398507972586 0.49699253986293 0.29296833493007 35.453 > 15 32 Cl 0.49288708129705 0.50711291870295 0.12452448369636 35.453 > 16 33 Cl 0.16365920652960 0.83634079347040 0.04036499840326 35.453 > 17 34 Cl 0.49288708129705 0.98577416259410 0.12452448369636 35.453 > 18 35 Cl 0.67268158694081 0.83634079347040 0.04036499840326 35.453 > 19 36 Cl 0.50300746013707 0.49699253986293 0.29296833493007 35.453 > 20 37 Cl 0.16967412680374 0.33934825360747 0.62630166826341 35.453 > 9 38 Cl 0.83032587319626 0.66065174639253 0.37369833173659 35.453 > 10 39 Cl 0.31910749592743 0.15955374796372 0.54214218297031 35.453 > 11 40 Cl 0.84044625203628 0.68089250407257 0.54214218297031 35.453 > 12 41 Cl 0.68089250407257 0.84044625203628 0.45785781702970 35.453 > 13 42 Cl 0.84044625203628 0.15955374796372 0.54214218297031 35.453 > 14 43 Cl 0.66065174639253 0.83032587319626 0.62630166826341 35.453 > 15 44 Cl 0.15955374796372 0.84044625203628 0.45785781702970 35.453 > 16 45 Cl 0.83032587319626 0.16967412680374 0.37369833173659 35.453 > 17 46 Cl 0.15955374796372 0.31910749592743 0.45785781702970 35.453 > 18 47 Cl 0.33934825360747 0.16967412680374 0.37369833173659 35.453 > 19 48 Cl 0.16967412680374 0.83032587319626 0.62630166826341 35.453 > 20 49 Cl 0.83634079347040 0.67268158694081 0.95963500159674 35.453 > 9 50 Cl 0.49699253986293 0.99398507972586 0.70703166506993 35.453 > 10 51 Cl 0.98577416259410 0.49288708129705 0.87547551630364 35.453 > 11 52 Cl 0.50711291870295 0.01422583740590 0.87547551630364 35.453 > 12 53 Cl 0.34755917073923 0.17377958536962 0.79119115036303 35.453 > 13 54 Cl 0.50711291870295 0.49288708129705 0.87547551630364 35.453 > 14 55 Cl 0.32731841305919 0.16365920652960 0.95963500159674 35.453 > 15 56 Cl 0.82622041463038 0.17377958536962 0.79119115036303 35.453 > 16 57 Cl 0.49699253986293 0.50300746013707 0.70703166506993 35.453 > 17 58 Cl 0.82622041463038 0.65244082926076 0.79119115036303 35.453 > 18 59 Cl 0.00601492027414 0.50300746013707 0.70703166506993 35.453 > 19 60 Cl 0.83634079347040 0.16365920652960 0.95963500159674 35.453 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.259865671993685 0.000000000000000 0.000000000000000 b -3.629932835996843 6.287228100009115 0.000000000000000 c 0.000000000000000 0.000000000000000 36.046152610000000 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.12557143658098 132.905 > 1 *2 Cs 0.00000000000000 0.00000000000000 0.29101311204619 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.20776189675235 132.905 > 3 4 Cs 0.66666666666667 0.33333333333333 0.04232022128715 132.905 > 4 5 Cs 0.66666666666667 0.33333333333333 0.45890476991432 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.62434644537952 132.905 > 2 7 Cs 0.33333333333333 0.66666666666667 0.54109523008569 132.905 > 3 8 Cs 0.33333333333333 0.66666666666667 0.37565355462048 132.905 > 4 9 Cs 0.33333333333333 0.66666666666667 0.79223810324765 132.905 > 1 10 Cs 0.33333333333333 0.66666666666667 0.95767977871285 132.905 > 2 11 Cs 0.00000000000000 0.00000000000000 0.87442856341902 132.905 > 3 12 Cs 0.00000000000000 0.00000000000000 0.70898688795381 132.905 > 4 *13 Li 0.33333333333333 0.66666666666667 0.25387077822613 6.941 > 5 14 Li 0.33333333333333 0.66666666666667 0.07946255510720 6.941 > 6 15 Li 0.00000000000000 0.00000000000000 0.58720411155946 6.941 > 5 16 Li 0.00000000000000 0.00000000000000 0.41279588844053 6.941 > 6 17 Li 0.66666666666667 0.33333333333333 0.92053744489280 6.941 > 5 18 Li 0.66666666666667 0.33333333333333 0.74612922177387 6.941 > 6 *19 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 7 *20 In 0.33333333333333 0.66666666666667 0.16666666666667 114.818 > 8 21 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 7 22 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 8 23 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 7 24 In 0.66666666666667 0.33333333333333 0.83333333333333 114.818 > 8 *25 Cl 0.50300746013707 0.00601492027414 0.29296833493007 35.453 > 9 26 Cl 0.16365920652960 0.32731841305919 0.04036499840326 35.453 > 10 *27 Cl 0.65244082926076 0.82622041463038 0.20880884963697 35.453 > 11 28 Cl 0.17377958536962 0.34755917073923 0.20880884963697 35.453 > 12 29 Cl 0.01422583740590 0.50711291870295 0.12452448369636 35.453 > 13 30 Cl 0.17377958536962 0.82622041463038 0.20880884963697 35.453 > 14 31 Cl 0.99398507972586 0.49699253986293 0.29296833493007 35.453 > 15 32 Cl 0.49288708129705 0.50711291870295 0.12452448369636 35.453 > 16 33 Cl 0.16365920652960 0.83634079347040 0.04036499840326 35.453 > 17 34 Cl 0.49288708129705 0.98577416259410 0.12452448369636 35.453 > 18 35 Cl 0.67268158694081 0.83634079347040 0.04036499840326 35.453 > 19 36 Cl 0.50300746013707 0.49699253986293 0.29296833493007 35.453 > 20 37 Cl 0.16967412680374 0.33934825360747 0.62630166826341 35.453 > 9 38 Cl 0.83032587319626 0.66065174639253 0.37369833173659 35.453 > 10 39 Cl 0.31910749592743 0.15955374796372 0.54214218297031 35.453 > 11 40 Cl 0.84044625203628 0.68089250407257 0.54214218297031 35.453 > 12 41 Cl 0.68089250407257 0.84044625203628 0.45785781702970 35.453 > 13 42 Cl 0.84044625203628 0.15955374796372 0.54214218297031 35.453 > 14 43 Cl 0.66065174639253 0.83032587319626 0.62630166826341 35.453 > 15 44 Cl 0.15955374796372 0.84044625203628 0.45785781702970 35.453 > 16 45 Cl 0.83032587319626 0.16967412680374 0.37369833173659 35.453 > 17 46 Cl 0.15955374796372 0.31910749592743 0.45785781702970 35.453 > 18 47 Cl 0.33934825360747 0.16967412680374 0.37369833173659 35.453 > 19 48 Cl 0.16967412680374 0.83032587319626 0.62630166826341 35.453 > 20 49 Cl 0.83634079347040 0.67268158694081 0.95963500159674 35.453 > 9 50 Cl 0.49699253986293 0.99398507972586 0.70703166506993 35.453 > 10 51 Cl 0.98577416259410 0.49288708129705 0.87547551630364 35.453 > 11 52 Cl 0.50711291870295 0.01422583740590 0.87547551630364 35.453 > 12 53 Cl 0.34755917073923 0.17377958536962 0.79119115036303 35.453 > 13 54 Cl 0.50711291870295 0.49288708129705 0.87547551630364 35.453 > 14 55 Cl 0.32731841305919 0.16365920652960 0.95963500159674 35.453 > 15 56 Cl 0.82622041463038 0.17377958536962 0.79119115036303 35.453 > 16 57 Cl 0.49699253986293 0.50300746013707 0.70703166506993 35.453 > 17 58 Cl 0.82622041463038 0.65244082926076 0.79119115036303 35.453 > 18 59 Cl 0.00601492027414 0.50300746013707 0.70703166506993 35.453 > 19 60 Cl 0.83634079347040 0.16365920652960 0.95963500159674 35.453 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1030219 0.0000000 0.0000000 0.0000000 3.1030219 0.0000000 0.0000000 0.0000000 3.1160607 -------------------------- Born effective charges -------------------------- 1 Cs 1.3715571 0.0000000 -0.0000000 -0.0000000 1.3715571 -0.0000000 -0.0000000 -0.0000000 1.3282884 2 Cs 1.4371018 0.0000000 -0.0000000 -0.0000000 1.4371018 -0.0000000 -0.0000000 -0.0000000 1.3136350 3 Cs 1.3715571 0.0000000 -0.0000000 -0.0000000 1.3715571 -0.0000000 -0.0000000 -0.0000000 1.3282884 4 Cs 1.4371018 0.0000000 -0.0000000 -0.0000000 1.4371018 -0.0000000 -0.0000000 -0.0000000 1.3136350 5 Li 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.4522228 6 Li 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.4522228 7 In 3.2346344 0.0000000 -0.0000000 -0.0000000 3.2346344 -0.0000000 -0.0000000 -0.0000000 3.0624038 8 In 2.8908458 0.0000000 -0.0000000 -0.0000000 2.8908458 -0.0000000 -0.0000000 -0.0000000 3.2050339 9 Cl -0.8774724 -0.0000000 -0.0000000 -0.0000000 -1.5949574 -0.4835976 -0.0000000 -0.4594797 -1.1639266 10 Cl -0.8774724 -0.0000000 -0.0000000 -0.0000000 -1.5949574 -0.4835976 -0.0000000 -0.4594797 -1.1639266 11 Cl -1.2308724 -0.1905279 -0.2794130 -0.1905279 -1.0108697 -0.1613192 -0.2045826 -0.1181158 -1.2453617 12 Cl -0.9008684 -0.0000000 0.0000000 -0.0000000 -1.3408737 0.3226383 -0.0000000 0.2362316 -1.2453617 13 Cl -1.2308724 -0.1905279 -0.2794130 -0.1905279 -1.0108697 -0.1613192 -0.2045826 -0.1181158 -1.2453617 14 Cl -1.2308724 0.1905279 0.2794130 0.1905279 -1.0108697 -0.1613192 0.2045826 -0.1181158 -1.2453617 15 Cl -1.4155861 -0.3106801 0.4188078 -0.3106801 -1.0568436 0.2417988 0.3979211 0.2297398 -1.1639266 16 Cl -1.2308724 0.1905279 0.2794130 0.1905279 -1.0108697 -0.1613192 0.2045826 -0.1181158 -1.2453617 17 Cl -1.4155861 0.3106801 -0.4188078 0.3106801 -1.0568436 0.2417988 -0.3979211 0.2297398 -1.1639266 18 Cl -0.9008684 -0.0000000 0.0000000 -0.0000000 -1.3408737 0.3226383 -0.0000000 0.2362316 -1.2453617 19 Cl -1.4155861 -0.3106801 0.4188078 -0.3106801 -1.0568436 0.2417988 0.3979211 0.2297398 -1.1639266 20 Cl -1.4155861 0.3106801 -0.4188078 0.3106801 -1.0568436 0.2417988 -0.3979211 0.2297398 -1.1639266 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 610 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.222 Solver_block: 200 / 240 - Time: 0.227 Solver_block: 240 / 240 - Time: 0.108 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.568 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 610 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), 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 19:31:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:31:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.629932835996846 2.095742700003036 12.015384203333321 b -3.629932835996839 2.095742700003036 12.015384203333321 c 0.000000000000004 -4.191485400006078 12.015384203333321 Atomic positions (fractional): 1 Cs 0.12557143658098 0.12557143658098 0.12557143658098 132.905 2 Cs 0.29101311204619 0.29101311204619 0.29101311204619 132.905 3 Cs 0.87442856341902 0.87442856341902 0.87442856341902 132.905 4 Cs 0.70898688795381 0.70898688795381 0.70898688795381 132.905 5 Li 0.58720411155947 0.58720411155947 0.58720411155947 6.941 6 Li 0.41279588844054 0.41279588844054 0.41279588844054 6.941 7 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 9 Cl 0.79597579506714 0.79597579506714 0.28695341465593 35.453 10 Cl 0.20402420493286 0.20402420493286 0.71304658534407 35.453 11 Cl 0.86124967889774 0.38258843500659 0.38258843500659 35.453 12 Cl 0.38258843500659 0.38258843500659 0.86124967889774 35.453 13 Cl 0.13875032110226 0.61741156499341 0.61741156499341 35.453 14 Cl 0.38258843500659 0.86124967889774 0.38258843500659 35.453 15 Cl 0.28695341465593 0.79597579506714 0.79597579506714 35.453 16 Cl 0.61741156499341 0.13875032110226 0.61741156499341 35.453 17 Cl 0.20402420493286 0.71304658534407 0.20402420493286 35.453 18 Cl 0.61741156499341 0.61741156499341 0.13875032110226 35.453 19 Cl 0.71304658534407 0.20402420493286 0.20402420493286 35.453 20 Cl 0.79597579506714 0.28695341465593 0.79597579506714 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.259865671993685 0.000000000000000 0.000000000000000 b -3.629932835996843 6.287228100009115 0.000000000000000 c 0.000000000000000 0.000000000000000 36.046152610000000 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.12557143658098 132.905 > 1 2 Cs 0.00000000000000 0.00000000000000 0.29101311204619 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.20776189675235 132.905 > 3 4 Cs 0.66666666666667 0.33333333333333 0.04232022128715 132.905 > 4 5 Cs 0.66666666666667 0.33333333333333 0.45890476991432 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.62434644537952 132.905 > 2 7 Cs 0.33333333333333 0.66666666666667 0.54109523008569 132.905 > 3 8 Cs 0.33333333333333 0.66666666666667 0.37565355462048 132.905 > 4 9 Cs 0.33333333333333 0.66666666666667 0.79223810324765 132.905 > 1 10 Cs 0.33333333333333 0.66666666666667 0.95767977871285 132.905 > 2 11 Cs 0.00000000000000 0.00000000000000 0.87442856341902 132.905 > 3 12 Cs 0.00000000000000 0.00000000000000 0.70898688795381 132.905 > 4 13 Li 0.33333333333333 0.66666666666667 0.25387077822613 6.941 > 13 14 Li 0.33333333333333 0.66666666666667 0.07946255510720 6.941 > 14 15 Li 0.00000000000000 0.00000000000000 0.58720411155946 6.941 > 13 16 Li 0.00000000000000 0.00000000000000 0.41279588844053 6.941 > 14 17 Li 0.66666666666667 0.33333333333333 0.92053744489280 6.941 > 13 18 Li 0.66666666666667 0.33333333333333 0.74612922177387 6.941 > 14 19 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 19 20 In 0.33333333333333 0.66666666666667 0.16666666666667 114.818 > 20 21 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 19 22 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 20 23 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 19 24 In 0.66666666666667 0.33333333333333 0.83333333333333 114.818 > 20 25 Cl 0.50300746013707 0.00601492027414 0.29296833493007 35.453 > 25 26 Cl 0.16365920652960 0.32731841305919 0.04036499840326 35.453 > 26 27 Cl 0.65244082926076 0.82622041463038 0.20880884963697 35.453 > 27 28 Cl 0.17377958536962 0.34755917073923 0.20880884963697 35.453 > 28 29 Cl 0.01422583740590 0.50711291870295 0.12452448369636 35.453 > 29 30 Cl 0.17377958536962 0.82622041463038 0.20880884963697 35.453 > 30 31 Cl 0.99398507972586 0.49699253986293 0.29296833493007 35.453 > 31 32 Cl 0.49288708129705 0.50711291870295 0.12452448369636 35.453 > 32 33 Cl 0.16365920652960 0.83634079347040 0.04036499840326 35.453 > 33 34 Cl 0.49288708129705 0.98577416259410 0.12452448369636 35.453 > 34 35 Cl 0.67268158694081 0.83634079347040 0.04036499840326 35.453 > 35 36 Cl 0.50300746013707 0.49699253986293 0.29296833493007 35.453 > 36 37 Cl 0.16967412680374 0.33934825360747 0.62630166826341 35.453 > 25 38 Cl 0.83032587319626 0.66065174639253 0.37369833173659 35.453 > 26 39 Cl 0.31910749592743 0.15955374796372 0.54214218297031 35.453 > 27 40 Cl 0.84044625203628 0.68089250407257 0.54214218297031 35.453 > 28 41 Cl 0.68089250407257 0.84044625203628 0.45785781702970 35.453 > 29 42 Cl 0.84044625203628 0.15955374796372 0.54214218297031 35.453 > 30 43 Cl 0.66065174639253 0.83032587319626 0.62630166826341 35.453 > 31 44 Cl 0.15955374796372 0.84044625203628 0.45785781702970 35.453 > 32 45 Cl 0.83032587319626 0.16967412680374 0.37369833173659 35.453 > 33 46 Cl 0.15955374796372 0.31910749592743 0.45785781702970 35.453 > 34 47 Cl 0.33934825360747 0.16967412680374 0.37369833173659 35.453 > 35 48 Cl 0.16967412680374 0.83032587319626 0.62630166826341 35.453 > 36 49 Cl 0.83634079347040 0.67268158694081 0.95963500159674 35.453 > 25 50 Cl 0.49699253986293 0.99398507972586 0.70703166506993 35.453 > 26 51 Cl 0.98577416259410 0.49288708129705 0.87547551630364 35.453 > 27 52 Cl 0.50711291870295 0.01422583740590 0.87547551630364 35.453 > 28 53 Cl 0.34755917073923 0.17377958536962 0.79119115036303 35.453 > 29 54 Cl 0.50711291870295 0.49288708129705 0.87547551630364 35.453 > 30 55 Cl 0.32731841305919 0.16365920652960 0.95963500159674 35.453 > 31 56 Cl 0.82622041463038 0.17377958536962 0.79119115036303 35.453 > 32 57 Cl 0.49699253986293 0.50300746013707 0.70703166506993 35.453 > 33 58 Cl 0.82622041463038 0.65244082926076 0.79119115036303 35.453 > 34 59 Cl 0.00601492027414 0.50300746013707 0.70703166506993 35.453 > 35 60 Cl 0.83634079347040 0.16365920652960 0.95963500159674 35.453 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1030219 0.0000000 0.0000000 0.0000000 3.1030219 0.0000000 0.0000000 0.0000000 3.1160607 -------------------------- Born effective charges -------------------------- 1 Cs 1.3715571 0.0000000 -0.0000000 -0.0000000 1.3715571 -0.0000000 -0.0000000 -0.0000000 1.3282884 2 Cs 1.4371018 0.0000000 -0.0000000 -0.0000000 1.4371018 -0.0000000 -0.0000000 -0.0000000 1.3136350 3 Cs 1.3715571 0.0000000 -0.0000000 -0.0000000 1.3715571 -0.0000000 -0.0000000 -0.0000000 1.3282884 4 Cs 1.4371018 0.0000000 -0.0000000 -0.0000000 1.4371018 -0.0000000 -0.0000000 -0.0000000 1.3136350 5 Li 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.4522228 6 Li 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.4522228 7 In 3.2346344 0.0000000 -0.0000000 -0.0000000 3.2346344 -0.0000000 -0.0000000 -0.0000000 3.0624038 8 In 2.8908458 0.0000000 -0.0000000 -0.0000000 2.8908458 -0.0000000 -0.0000000 -0.0000000 3.2050339 9 Cl -0.8774724 -0.0000000 -0.0000000 -0.0000000 -1.5949574 -0.4835976 -0.0000000 -0.4594797 -1.1639266 10 Cl -0.8774724 -0.0000000 -0.0000000 -0.0000000 -1.5949574 -0.4835976 -0.0000000 -0.4594797 -1.1639266 11 Cl -1.2308724 -0.1905279 -0.2794130 -0.1905279 -1.0108697 -0.1613192 -0.2045826 -0.1181158 -1.2453617 12 Cl -0.9008684 -0.0000000 0.0000000 -0.0000000 -1.3408737 0.3226383 -0.0000000 0.2362316 -1.2453617 13 Cl -1.2308724 -0.1905279 -0.2794130 -0.1905279 -1.0108697 -0.1613192 -0.2045826 -0.1181158 -1.2453617 14 Cl -1.2308724 0.1905279 0.2794130 0.1905279 -1.0108697 -0.1613192 0.2045826 -0.1181158 -1.2453617 15 Cl -1.4155861 -0.3106801 0.4188078 -0.3106801 -1.0568436 0.2417988 0.3979211 0.2297398 -1.1639266 16 Cl -1.2308724 0.1905279 0.2794130 0.1905279 -1.0108697 -0.1613192 0.2045826 -0.1181158 -1.2453617 17 Cl -1.4155861 0.3106801 -0.4188078 0.3106801 -1.0568436 0.2417988 -0.3979211 0.2297398 -1.1639266 18 Cl -0.9008684 -0.0000000 0.0000000 -0.0000000 -1.3408737 0.3226383 -0.0000000 0.2362316 -1.2453617 19 Cl -1.4155861 -0.3106801 0.4188078 -0.3106801 -1.0568436 0.2417988 0.3979211 0.2297398 -1.1639266 20 Cl -1.4155861 0.3106801 -0.4188078 0.3106801 -1.0568436 0.2417988 -0.3979211 0.2297398 -1.1639266 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 19:31:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:31:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.629932835996846 2.095742700003036 12.015384203333321 b -3.629932835996839 2.095742700003036 12.015384203333321 c 0.000000000000004 -4.191485400006078 12.015384203333321 Atomic positions (fractional): 1 Cs 0.12557143658098 0.12557143658098 0.12557143658098 132.905 2 Cs 0.29101311204619 0.29101311204619 0.29101311204619 132.905 3 Cs 0.87442856341902 0.87442856341902 0.87442856341902 132.905 4 Cs 0.70898688795381 0.70898688795381 0.70898688795381 132.905 5 Li 0.58720411155947 0.58720411155947 0.58720411155947 6.941 6 Li 0.41279588844054 0.41279588844054 0.41279588844054 6.941 7 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 9 Cl 0.79597579506714 0.79597579506714 0.28695341465593 35.453 10 Cl 0.20402420493286 0.20402420493286 0.71304658534407 35.453 11 Cl 0.86124967889774 0.38258843500659 0.38258843500659 35.453 12 Cl 0.38258843500659 0.38258843500659 0.86124967889774 35.453 13 Cl 0.13875032110226 0.61741156499341 0.61741156499341 35.453 14 Cl 0.38258843500659 0.86124967889774 0.38258843500659 35.453 15 Cl 0.28695341465593 0.79597579506714 0.79597579506714 35.453 16 Cl 0.61741156499341 0.13875032110226 0.61741156499341 35.453 17 Cl 0.20402420493286 0.71304658534407 0.20402420493286 35.453 18 Cl 0.61741156499341 0.61741156499341 0.13875032110226 35.453 19 Cl 0.71304658534407 0.20402420493286 0.20402420493286 35.453 20 Cl 0.79597579506714 0.28695341465593 0.79597579506714 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.259865671993685 0.000000000000000 0.000000000000000 b -3.629932835996843 6.287228100009115 0.000000000000000 c 0.000000000000000 0.000000000000000 36.046152610000000 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.12557143658098 132.905 > 1 2 Cs 0.00000000000000 0.00000000000000 0.29101311204619 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.20776189675235 132.905 > 3 4 Cs 0.66666666666667 0.33333333333333 0.04232022128715 132.905 > 4 5 Cs 0.66666666666667 0.33333333333333 0.45890476991432 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.62434644537952 132.905 > 2 7 Cs 0.33333333333333 0.66666666666667 0.54109523008569 132.905 > 3 8 Cs 0.33333333333333 0.66666666666667 0.37565355462048 132.905 > 4 9 Cs 0.33333333333333 0.66666666666667 0.79223810324765 132.905 > 1 10 Cs 0.33333333333333 0.66666666666667 0.95767977871285 132.905 > 2 11 Cs 0.00000000000000 0.00000000000000 0.87442856341902 132.905 > 3 12 Cs 0.00000000000000 0.00000000000000 0.70898688795381 132.905 > 4 13 Li 0.33333333333333 0.66666666666667 0.25387077822613 6.941 > 13 14 Li 0.33333333333333 0.66666666666667 0.07946255510720 6.941 > 14 15 Li 0.00000000000000 0.00000000000000 0.58720411155946 6.941 > 13 16 Li 0.00000000000000 0.00000000000000 0.41279588844053 6.941 > 14 17 Li 0.66666666666667 0.33333333333333 0.92053744489280 6.941 > 13 18 Li 0.66666666666667 0.33333333333333 0.74612922177387 6.941 > 14 19 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 19 20 In 0.33333333333333 0.66666666666667 0.16666666666667 114.818 > 20 21 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 19 22 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 20 23 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 19 24 In 0.66666666666667 0.33333333333333 0.83333333333333 114.818 > 20 25 Cl 0.50300746013707 0.00601492027414 0.29296833493007 35.453 > 25 26 Cl 0.16365920652960 0.32731841305919 0.04036499840326 35.453 > 26 27 Cl 0.65244082926076 0.82622041463038 0.20880884963697 35.453 > 27 28 Cl 0.17377958536962 0.34755917073923 0.20880884963697 35.453 > 28 29 Cl 0.01422583740590 0.50711291870295 0.12452448369636 35.453 > 29 30 Cl 0.17377958536962 0.82622041463038 0.20880884963697 35.453 > 30 31 Cl 0.99398507972586 0.49699253986293 0.29296833493007 35.453 > 31 32 Cl 0.49288708129705 0.50711291870295 0.12452448369636 35.453 > 32 33 Cl 0.16365920652960 0.83634079347040 0.04036499840326 35.453 > 33 34 Cl 0.49288708129705 0.98577416259410 0.12452448369636 35.453 > 34 35 Cl 0.67268158694081 0.83634079347040 0.04036499840326 35.453 > 35 36 Cl 0.50300746013707 0.49699253986293 0.29296833493007 35.453 > 36 37 Cl 0.16967412680374 0.33934825360747 0.62630166826341 35.453 > 25 38 Cl 0.83032587319626 0.66065174639253 0.37369833173659 35.453 > 26 39 Cl 0.31910749592743 0.15955374796372 0.54214218297031 35.453 > 27 40 Cl 0.84044625203628 0.68089250407257 0.54214218297031 35.453 > 28 41 Cl 0.68089250407257 0.84044625203628 0.45785781702970 35.453 > 29 42 Cl 0.84044625203628 0.15955374796372 0.54214218297031 35.453 > 30 43 Cl 0.66065174639253 0.83032587319626 0.62630166826341 35.453 > 31 44 Cl 0.15955374796372 0.84044625203628 0.45785781702970 35.453 > 32 45 Cl 0.83032587319626 0.16967412680374 0.37369833173659 35.453 > 33 46 Cl 0.15955374796372 0.31910749592743 0.45785781702970 35.453 > 34 47 Cl 0.33934825360747 0.16967412680374 0.37369833173659 35.453 > 35 48 Cl 0.16967412680374 0.83032587319626 0.62630166826341 35.453 > 36 49 Cl 0.83634079347040 0.67268158694081 0.95963500159674 35.453 > 25 50 Cl 0.49699253986293 0.99398507972586 0.70703166506993 35.453 > 26 51 Cl 0.98577416259410 0.49288708129705 0.87547551630364 35.453 > 27 52 Cl 0.50711291870295 0.01422583740590 0.87547551630364 35.453 > 28 53 Cl 0.34755917073923 0.17377958536962 0.79119115036303 35.453 > 29 54 Cl 0.50711291870295 0.49288708129705 0.87547551630364 35.453 > 30 55 Cl 0.32731841305919 0.16365920652960 0.95963500159674 35.453 > 31 56 Cl 0.82622041463038 0.17377958536962 0.79119115036303 35.453 > 32 57 Cl 0.49699253986293 0.50300746013707 0.70703166506993 35.453 > 33 58 Cl 0.82622041463038 0.65244082926076 0.79119115036303 35.453 > 34 59 Cl 0.00601492027414 0.50300746013707 0.70703166506993 35.453 > 35 60 Cl 0.83634079347040 0.16365920652960 0.95963500159674 35.453 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1030219 0.0000000 0.0000000 0.0000000 3.1030219 0.0000000 0.0000000 0.0000000 3.1160607 -------------------------- Born effective charges -------------------------- 1 Cs 1.3715571 0.0000000 -0.0000000 -0.0000000 1.3715571 -0.0000000 -0.0000000 -0.0000000 1.3282884 2 Cs 1.4371018 0.0000000 -0.0000000 -0.0000000 1.4371018 -0.0000000 -0.0000000 -0.0000000 1.3136350 3 Cs 1.3715571 0.0000000 -0.0000000 -0.0000000 1.3715571 -0.0000000 -0.0000000 -0.0000000 1.3282884 4 Cs 1.4371018 0.0000000 -0.0000000 -0.0000000 1.4371018 -0.0000000 -0.0000000 -0.0000000 1.3136350 5 Li 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.4522228 6 Li 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.1998588 -0.0000000 -0.0000000 -0.0000000 1.4522228 7 In 3.2346344 0.0000000 -0.0000000 -0.0000000 3.2346344 -0.0000000 -0.0000000 -0.0000000 3.0624038 8 In 2.8908458 0.0000000 -0.0000000 -0.0000000 2.8908458 -0.0000000 -0.0000000 -0.0000000 3.2050339 9 Cl -0.8774724 -0.0000000 -0.0000000 -0.0000000 -1.5949574 -0.4835976 -0.0000000 -0.4594797 -1.1639266 10 Cl -0.8774724 -0.0000000 -0.0000000 -0.0000000 -1.5949574 -0.4835976 -0.0000000 -0.4594797 -1.1639266 11 Cl -1.2308724 -0.1905279 -0.2794130 -0.1905279 -1.0108697 -0.1613192 -0.2045826 -0.1181158 -1.2453617 12 Cl -0.9008684 -0.0000000 0.0000000 -0.0000000 -1.3408737 0.3226383 -0.0000000 0.2362316 -1.2453617 13 Cl -1.2308724 -0.1905279 -0.2794130 -0.1905279 -1.0108697 -0.1613192 -0.2045826 -0.1181158 -1.2453617 14 Cl -1.2308724 0.1905279 0.2794130 0.1905279 -1.0108697 -0.1613192 0.2045826 -0.1181158 -1.2453617 15 Cl -1.4155861 -0.3106801 0.4188078 -0.3106801 -1.0568436 0.2417988 0.3979211 0.2297398 -1.1639266 16 Cl -1.2308724 0.1905279 0.2794130 0.1905279 -1.0108697 -0.1613192 0.2045826 -0.1181158 -1.2453617 17 Cl -1.4155861 0.3106801 -0.4188078 0.3106801 -1.0568436 0.2417988 -0.3979211 0.2297398 -1.1639266 18 Cl -0.9008684 -0.0000000 0.0000000 -0.0000000 -1.3408737 0.3226383 -0.0000000 0.2362316 -1.2453617 19 Cl -1.4155861 -0.3106801 0.4188078 -0.3106801 -1.0568436 0.2417988 0.3979211 0.2297398 -1.1639266 20 Cl -1.4155861 0.3106801 -0.4188078 0.3106801 -1.0568436 0.2417988 -0.3979211 0.2297398 -1.1639266 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.51, Number of G-points: 325, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 65 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 1.021 ( 0.000 0.000 0.000) 0.000 1.021 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( 12.519 7.228 -3.953) 14.987 0.325 ( 12.994 7.502 4.540) 15.676 0.385 ( 15.167 8.757 8.479) 19.458 1.027 ( 1.390 0.803 -5.483) 5.713 1.033 ( 1.205 0.696 -0.988) 1.707 1.117 ( 1.426 0.823 0.042) 1.647 1.122 ( 1.284 0.742 4.269) 4.519 1.210 ( -0.241 -0.139 0.231) 0.361 1.302 ( 1.040 0.601 1.022) 1.577 1.405 ( -0.234 -0.135 -3.010) 3.022 1.426 ( -1.371 -0.791 -1.028) 1.888 1.456 ( 1.604 0.926 -0.008) 1.852 1.486 ( 1.199 0.692 1.095) 1.765 1.596 ( -0.742 -0.428 -1.294) 1.552 1.601 ( -0.028 -0.016 0.351) 0.352 1.662 ( 0.441 0.255 -2.297) 2.353 1.782 ( -0.548 -0.316 1.111) 1.278 1.792 ( -1.027 -0.593 -0.025) 1.187 1.859 ( 0.022 0.013 0.394) 0.395 2.045 ( -1.120 -0.647 -7.596) 7.706 2.061 ( -1.522 -0.879 -0.183) 1.767 2.080 ( -0.107 -0.061 -1.842) 1.846 2.134 ( 0.915 0.529 3.726) 3.873 2.446 ( -4.453 -2.571 -2.028) 5.527 2.612 ( 1.777 1.026 0.942) 2.257 2.775 ( 0.405 0.234 0.409) 0.621 2.796 ( 1.096 0.633 0.043) 1.266 2.847 ( -0.112 -0.065 -0.431) 0.450 3.290 ( 2.018 1.165 0.585) 2.402 3.346 ( 1.063 0.614 -0.666) 1.397 3.371 ( 1.363 0.787 -0.715) 1.728 3.520 ( 1.184 0.684 -6.345) 6.491 3.800 ( -0.128 -0.074 -3.758) 3.761 3.837 ( 1.164 0.672 3.318) 3.579 3.848 ( -0.083 -0.048 0.113) 0.148 3.879 ( 1.780 1.028 0.916) 2.251 3.922 ( -0.305 -0.176 -1.940) 1.971 4.107 ( 0.011 0.006 1.724) 1.724 4.115 ( 0.917 0.529 0.016) 1.059 4.293 ( -1.272 -0.734 -10.778) 10.878 4.463 ( -1.159 -0.669 1.027) 1.687 4.590 ( -5.943 -3.431 11.451) 13.350 4.988 ( 1.248 0.721 2.286) 2.703 5.036 ( 4.027 2.325 2.163) 5.129 5.497 ( -0.241 -0.139 -1.471) 1.497 5.593 ( 7.534 4.350 -1.930) 8.911 6.107 ( -1.174 -0.678 0.293) 1.386 6.359 ( 0.087 0.050 -4.255) 4.256 6.612 ( -0.995 -0.574 -3.072) 3.279 6.674 ( 3.133 1.809 3.587) 5.095 7.272 ( 1.123 0.648 3.698) 3.919 7.493 ( 1.426 0.823 -19.548) 19.618 7.642 ( -0.410 -0.237 10.156) 10.168 7.778 ( -0.452 -0.261 -1.448) 1.540 7.866 ( 1.575 0.909 0.745) 1.965 8.101 ( -0.427 -0.247 -4.302) 4.330 8.182 ( -3.890 -2.246 5.307) 6.953 8.672 ( -2.421 -1.398 -10.818) 11.174 8.803 ( -3.285 -1.897 12.218) 12.794 8.968 ( -6.379 -3.683 13.782) 15.627 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 10.618 6.131 1.048) 12.306 0.620 ( 11.257 6.499 4.244) 13.674 0.747 ( 13.908 8.030 6.584) 17.357 1.043 ( 1.426 0.823 -5.520) 5.760 1.068 ( 2.235 1.291 -2.511) 3.601 1.159 ( 1.917 1.107 1.495) 2.671 1.174 ( 2.192 1.266 0.045) 2.531 1.206 ( -0.367 -0.212 1.352) 1.416 1.344 ( 2.229 1.287 -0.081) 2.575 1.367 ( -3.206 -1.851 -1.359) 3.944 1.405 ( 1.198 0.692 1.698) 2.190 1.500 ( 1.755 1.013 -0.411) 2.068 1.517 ( -0.511 -0.295 -0.012) 0.590 1.582 ( 1.482 0.856 -1.387) 2.203 1.617 ( 1.025 0.592 -0.075) 1.186 1.645 ( -0.285 -0.164 -4.697) 4.708 1.750 ( -2.575 -1.487 0.336) 2.992 1.774 ( -0.439 -0.254 1.657) 1.733 1.860 ( -0.404 -0.233 0.840) 0.960 1.974 ( -2.974 -1.717 -7.349) 8.112 2.018 ( -1.990 -1.149 -0.035) 2.298 2.067 ( -0.323 -0.186 -2.685) 2.711 2.160 ( 0.162 0.093 3.425) 3.430 2.306 ( -6.446 -3.721 -3.091) 8.059 2.667 ( 2.474 1.428 1.233) 3.111 2.786 ( 0.226 0.130 0.905) 0.942 2.823 ( 1.073 0.620 -0.333) 1.283 2.840 ( -0.307 -0.177 -1.122) 1.177 3.319 ( 0.338 0.195 -0.079) 0.398 3.354 ( -0.565 -0.326 0.082) 0.658 3.450 ( 5.344 3.085 0.685) 6.208 3.554 ( 3.216 1.857 -2.494) 4.473 3.795 ( 1.007 0.582 -5.383) 5.508 3.842 ( -0.555 -0.321 -0.322) 0.718 3.885 ( 1.927 1.113 2.059) 3.032 3.901 ( -0.724 -0.418 -3.125) 3.235 3.930 ( 2.514 1.451 0.578) 2.960 4.115 ( 0.054 0.031 2.305) 2.306 4.148 ( 2.174 1.255 -1.109) 2.744 4.215 ( -2.098 -1.211 -9.859) 10.152 4.425 ( -2.134 -1.232 -0.834) 2.601 4.497 ( -5.069 -2.927 9.539) 11.191 5.040 ( 2.145 1.238 4.388) 5.039 5.131 ( 3.165 1.828 3.353) 4.960 5.479 ( -0.664 -0.383 -3.147) 3.239 5.785 ( 8.820 5.092 -3.015) 10.622 6.075 ( -1.601 -0.924 0.731) 1.988 6.346 ( -0.120 -0.069 -1.784) 1.789 6.570 ( -1.441 -0.832 -4.179) 4.498 6.784 ( 4.775 2.757 4.680) 7.231 7.322 ( 1.664 0.961 5.374) 5.707 7.446 ( -0.027 -0.016 -15.463) 15.463 7.682 ( 1.465 0.846 5.131) 5.403 7.757 ( -0.798 -0.461 -2.508) 2.672 7.920 ( 2.446 1.412 -0.136) 2.828 8.025 ( -4.689 -2.707 -0.780) 5.471 8.138 ( -0.837 -0.483 3.277) 3.416 8.552 ( -5.080 -2.933 -5.321) 7.920 8.764 ( -2.266 -1.309 2.358) 3.523 8.828 ( -9.820 -5.670 15.543) 19.239 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 8.171 4.718 5.378) 10.860 0.867 ( 8.946 5.165 3.919) 11.049 1.016 ( 2.332 1.346 -3.687) 4.566 1.076 ( 7.147 4.126 3.208) 8.854 1.107 ( 1.625 0.938 -3.501) 3.972 1.199 ( 0.014 0.008 1.013) 1.014 1.204 ( 0.889 0.513 -1.651) 1.944 1.212 ( 1.398 0.807 -0.842) 1.821 1.286 ( -2.473 -1.428 0.804) 2.967 1.396 ( 1.842 1.064 1.472) 2.587 1.459 ( -2.875 -1.660 -2.455) 4.129 1.468 ( 2.161 1.248 3.517) 4.312 1.511 ( -0.388 -0.224 -2.984) 3.017 1.591 ( -1.249 -0.721 -2.978) 3.309 1.636 ( -2.512 -1.450 0.518) 2.947 1.656 ( 4.002 2.310 -0.108) 4.622 1.744 ( 3.278 1.893 2.240) 4.398 1.775 ( 0.002 0.001 1.064) 1.064 1.836 ( -2.059 -1.189 1.097) 2.618 1.862 ( -3.825 -2.208 -7.141) 8.397 1.978 ( -1.304 -0.753 -0.138) 1.512 2.052 ( -0.182 -0.105 -1.852) 1.863 2.144 ( -6.453 -3.725 -2.101) 7.741 2.166 ( -0.368 -0.213 1.184) 1.258 2.725 ( 2.111 1.219 0.802) 2.566 2.792 ( -0.051 -0.029 1.827) 1.828 2.824 ( -0.608 -0.351 -2.059) 2.175 2.839 ( 0.540 0.312 -0.556) 0.835 3.320 ( -0.031 -0.018 -0.245) 0.248 3.331 ( -1.114 -0.643 0.362) 1.336 3.590 ( 5.895 3.403 2.334) 7.196 3.625 ( 2.716 1.568 -0.634) 3.199 3.804 ( 1.058 0.611 -3.990) 4.173 3.810 ( -2.121 -1.225 -2.335) 3.384 3.874 ( -0.615 -0.355 -1.823) 1.957 3.930 ( 1.598 0.923 -0.235) 1.860 3.994 ( 2.184 1.261 3.446) 4.271 4.124 ( 0.102 0.059 1.530) 1.535 4.135 ( -1.551 -0.895 -8.646) 8.829 4.214 ( 3.548 2.049 -1.070) 4.235 4.366 ( -2.278 -1.315 -3.258) 4.187 4.424 ( -4.137 -2.388 9.350) 10.499 5.107 ( 2.014 1.163 4.578) 5.135 5.199 ( 1.794 1.036 2.325) 3.114 5.447 ( -0.959 -0.554 -3.681) 3.844 5.940 ( 5.023 2.900 -2.231) 6.214 6.046 ( -1.051 -0.607 0.821) 1.465 6.345 ( 0.357 0.206 -0.409) 0.581 6.526 ( -1.073 -0.619 -2.927) 3.178 6.899 ( 3.482 2.010 3.282) 5.190 7.376 ( 1.317 0.760 4.171) 4.440 7.397 ( 0.055 0.032 -11.055) 11.056 7.729 ( -0.750 -0.433 -2.314) 2.471 7.731 ( 0.545 0.315 5.976) 6.009 7.873 ( -3.523 -2.034 -2.100) 4.579 8.027 ( 2.582 1.491 2.440) 3.852 8.149 ( 1.410 0.814 -2.067) 2.631 8.433 ( -3.475 -2.007 0.052) 4.013 8.629 ( -9.827 -5.674 8.412) 14.125 8.737 ( -1.144 -0.661 0.416) 1.385 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 0.000 0.000) 0.000 0.959 ( -0.000 -0.000 -0.000) 0.000 1.030 ( 0.000 0.000 0.000) 0.000 1.082 ( 0.000 0.000 -0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 -0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 -0.000) 0.000 1.325 ( -0.000 -0.000 -0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 -0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.631 ( -0.000 -0.000 -0.000) 0.000 1.725 ( -0.000 -0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 -0.000) 0.000 1.962 ( 0.000 0.000 -0.000) 0.000 2.035 ( -0.000 -0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 -0.000) 0.000 2.801 ( -0.000 -0.000 -0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 -0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 -0.000) 0.000 3.736 ( 0.000 0.000 -0.000) 0.000 3.810 ( 0.000 0.000 -0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 -0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.293 ( -0.000 -0.000 -0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 -0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 -0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 -0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 -0.000) 0.000 7.736 ( 0.000 0.000 -0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.435 ( -0.000 -0.000 -0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( -0.000 13.577 1.596) 13.671 0.314 ( -0.000 14.378 2.731) 14.635 0.438 ( -0.000 16.418 14.213) 21.716 1.001 ( 0.000 1.287 -5.418) 5.568 1.039 ( 0.000 3.578 -5.655) 6.692 1.098 ( -0.000 -0.901 2.080) 2.267 1.148 ( -0.000 1.875 4.265) 4.659 1.212 ( -0.000 -0.147 0.957) 0.969 1.304 ( -0.000 0.902 0.998) 1.346 1.390 ( 0.000 0.201 -4.971) 4.975 1.434 ( -0.000 -0.881 0.372) 0.956 1.451 ( 0.000 1.683 -0.994) 1.955 1.484 ( -0.000 0.688 0.785) 1.044 1.588 ( 0.000 -0.605 -2.314) 2.392 1.604 ( 0.000 -0.130 0.025) 0.133 1.649 ( 0.000 -0.116 -4.194) 4.196 1.774 ( 0.000 -1.313 -0.198) 1.328 1.795 ( -0.000 -1.028 0.519) 1.152 1.851 ( 0.000 -0.199 -1.188) 1.205 2.053 ( 0.000 -1.741 -1.710) 2.440 2.069 ( 0.000 1.663 -8.500) 8.661 2.096 ( -0.000 -0.493 2.527) 2.574 2.101 ( -0.000 0.869 1.836) 2.032 2.435 ( 0.000 -5.034 -4.116) 6.503 2.615 ( -0.000 1.765 1.505) 2.320 2.775 ( -0.000 0.183 0.372) 0.414 2.799 ( -0.000 1.367 0.476) 1.447 2.846 ( 0.000 -0.040 -0.702) 0.703 3.284 ( -0.000 2.191 -0.565) 2.263 3.345 ( 0.000 1.441 -0.885) 1.691 3.374 ( -0.000 1.785 -0.237) 1.801 3.488 ( 0.000 4.096 -10.628) 11.390 3.788 ( 0.000 -0.399 -3.582) 3.604 3.842 ( 0.000 -0.312 -1.051) 1.096 3.847 ( -0.000 0.902 3.079) 3.209 3.876 ( -0.000 1.083 0.439) 1.169 3.922 ( 0.000 0.076 -1.864) 1.866 4.103 ( -0.000 -0.466 0.857) 0.975 4.121 ( -0.000 0.836 0.839) 1.185 4.260 ( 0.000 -0.295 -11.537) 11.541 4.471 ( -0.000 -2.048 3.341) 3.919 4.654 ( -0.000 -8.226 16.279) 18.239 4.994 ( -0.000 1.104 3.278) 3.459 5.046 ( -0.000 4.388 4.101) 6.006 5.497 ( 0.000 0.052 -1.456) 1.457 5.603 ( -0.000 9.488 -0.458) 9.499 6.101 ( 0.000 -1.606 -0.768) 1.780 6.307 ( 0.000 0.531 -11.530) 11.542 6.636 ( -0.000 0.145 1.276) 1.284 6.685 ( -0.000 4.049 3.367) 5.266 7.253 ( -0.000 0.050 0.330) 0.333 7.435 ( 0.000 4.115 -18.879) 19.323 7.644 ( -0.000 -3.449 3.696) 5.055 7.781 ( 0.000 -0.168 -0.953) 0.968 7.868 ( -0.000 1.661 0.866) 1.873 8.087 ( 0.000 -1.080 -2.571) 2.789 8.202 ( -0.000 -3.897 5.492) 6.734 8.670 ( 0.000 0.579 -7.536) 7.558 8.824 ( -0.000 -8.319 10.262) 13.210 9.034 ( -0.000 -8.387 22.681) 24.182 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 6.639 11.100 2.783) 13.230 0.553 ( 8.483 10.999 4.111) 14.486 0.702 ( 6.568 13.231 12.024) 19.047 1.013 ( 1.107 2.283 -5.178) 5.766 1.059 ( 0.620 3.929 -6.757) 7.841 1.117 ( 2.178 -0.274 1.202) 2.503 1.193 ( 1.094 2.544 2.583) 3.787 1.213 ( -0.258 -0.356 2.164) 2.208 1.324 ( 0.972 1.064 -0.554) 1.544 1.388 ( 0.979 0.589 -0.401) 1.211 1.420 ( -3.362 0.124 -0.675) 3.431 1.450 ( 2.358 -0.591 -0.055) 2.432 1.525 ( 1.854 2.058 0.125) 2.772 1.567 ( -0.400 -0.749 -4.021) 4.110 1.605 ( 0.327 0.629 -1.120) 1.325 1.623 ( -0.431 -0.871 -5.473) 5.558 1.756 ( -0.442 -2.208 0.016) 2.252 1.777 ( -0.416 -1.696 1.265) 2.156 1.852 ( 0.697 -0.625 -1.922) 2.137 1.993 ( -3.327 -0.629 -2.944) 4.487 2.047 ( -1.019 -0.012 -4.185) 4.308 2.066 ( -1.551 -0.543 0.736) 1.801 2.151 ( 1.772 -0.722 2.658) 3.275 2.332 ( -3.444 -5.462 -5.252) 8.324 2.653 ( 1.518 1.843 1.376) 2.756 2.783 ( 0.740 -0.296 -0.150) 0.811 2.813 ( -0.009 0.729 0.073) 0.733 2.844 ( -0.047 0.431 -0.823) 0.931 3.319 ( 1.038 1.378 -0.089) 1.727 3.357 ( -0.012 0.691 0.282) 0.746 3.418 ( 2.436 4.249 0.165) 4.901 3.520 ( 2.118 3.508 -5.025) 6.484 3.778 ( 0.039 1.744 -4.948) 5.247 3.835 ( 0.139 -0.665 -1.620) 1.756 3.882 ( 1.260 1.522 2.310) 3.040 3.892 ( 0.532 0.402 -0.886) 1.109 3.919 ( 0.460 1.489 -2.967) 3.352 4.101 ( 0.309 -0.881 0.640) 1.131 4.139 ( 1.015 0.791 -0.697) 1.463 4.205 ( -1.564 -0.591 -7.401) 7.588 4.436 ( -1.777 -2.972 0.644) 3.522 4.585 ( -4.533 -4.692 11.705) 13.400 5.038 ( 1.818 1.344 4.796) 5.303 5.118 ( 1.726 2.571 4.928) 5.820 5.516 ( 0.130 2.114 -3.256) 3.884 5.708 ( 3.070 8.707 -1.554) 9.363 6.084 ( -0.141 -1.473 -0.035) 1.480 6.294 ( 2.163 -1.529 -7.518) 7.971 6.618 ( -2.728 2.279 -1.278) 3.777 6.764 ( 2.386 3.451 6.802) 7.992 7.296 ( 3.511 -0.161 1.178) 3.707 7.401 ( -0.345 1.532 -14.895) 14.978 7.638 ( 1.822 -2.210 -0.533) 2.914 7.778 ( 0.029 1.017 -1.234) 1.599 7.903 ( 1.461 2.116 0.191) 2.578 8.048 ( -2.032 -3.975 2.207) 4.980 8.163 ( -1.685 -2.116 2.741) 3.851 8.601 ( -4.729 -0.993 -5.697) 7.471 8.769 ( -0.826 -5.456 6.409) 8.457 8.955 ( -6.360 -10.226 18.212) 21.833 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 7.654 7.803 5.946) 12.443 0.811 ( 7.893 8.992 3.947) 12.599 0.973 ( 6.632 8.270 4.207) 11.405 1.039 ( 1.799 2.903 -1.712) 3.821 1.098 ( 1.301 4.437 -4.657) 6.563 1.161 ( 2.253 0.073 -0.964) 2.451 1.200 ( -0.545 -0.929 0.023) 1.077 1.252 ( 0.294 4.181 2.953) 5.127 1.331 ( -2.644 -1.105 -1.174) 3.097 1.375 ( 0.589 1.602 0.789) 1.880 1.427 ( 2.173 -0.951 0.573) 2.440 1.473 ( 0.875 -0.711 -3.150) 3.345 1.520 ( -2.181 0.746 -0.558) 2.372 1.573 ( 0.893 -1.337 -3.845) 4.168 1.613 ( 2.199 1.203 -0.058) 2.507 1.637 ( 3.007 1.342 -2.505) 4.137 1.708 ( -1.507 -3.449 2.551) 4.547 1.765 ( 0.632 -1.480 -0.667) 1.742 1.836 ( -0.201 -1.961 -3.519) 4.034 1.904 ( -4.685 -1.629 -1.869) 5.301 2.010 ( -2.193 -0.036 0.682) 2.297 2.047 ( -0.112 -0.201 -0.890) 0.919 2.162 ( -0.019 -1.631 -0.079) 1.633 2.191 ( -4.563 -4.144 -3.788) 7.235 2.706 ( 2.026 1.528 0.708) 2.635 2.790 ( 1.010 -0.964 -1.357) 1.947 2.811 ( -0.419 -0.087 0.161) 0.457 2.847 ( -0.184 0.874 -0.848) 1.232 3.336 ( -0.467 1.582 0.020) 1.650 3.354 ( -1.231 -0.083 2.436) 2.731 3.538 ( 5.260 4.560 1.383) 7.098 3.587 ( 3.039 2.471 -1.662) 4.255 3.789 ( 0.499 2.189 -3.672) 4.304 3.815 ( -0.914 -0.944 -2.896) 3.180 3.880 ( -0.713 0.273 -1.430) 1.621 3.930 ( 0.833 1.988 0.211) 2.165 3.963 ( 3.293 1.560 -0.920) 3.758 4.087 ( -0.194 -1.297 -4.588) 4.772 4.160 ( 0.016 -0.057 -0.714) 0.717 4.178 ( 1.225 1.893 -0.156) 2.260 4.370 ( -1.866 -3.100 -1.503) 3.918 4.501 ( -4.519 -3.803 8.942) 10.717 5.104 ( 2.004 1.139 5.200) 5.688 5.178 ( 1.652 0.245 3.565) 3.937 5.511 ( -3.108 5.460 -3.922) 7.406 5.850 ( 6.244 3.143 -1.933) 7.252 6.067 ( -1.004 0.013 0.383) 1.075 6.292 ( 2.336 -2.685 -3.994) 5.349 6.593 ( -3.447 4.694 -1.324) 5.973 6.863 ( 3.242 0.735 7.001) 7.751 7.340 ( 1.983 1.048 -11.181) 11.403 7.384 ( 0.953 1.069 0.948) 1.718 7.643 ( 2.385 -3.691 -1.896) 4.786 7.806 ( 0.549 3.881 1.026) 4.052 7.909 ( -3.533 -2.904 1.561) 4.832 8.001 ( 1.674 -0.810 2.531) 3.140 8.140 ( -0.491 0.289 -0.497) 0.756 8.478 ( -4.796 -1.758 -4.324) 6.692 8.735 ( -0.505 -3.897 6.710) 7.776 8.760 ( -9.535 -9.415 8.728) 15.992 ======================= Grid point 13 (9/65) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 5.078 4.900 5.983) 9.252 0.990 ( -3.048 0.683 -3.293) 4.539 1.024 ( 5.117 7.152 3.291) 9.390 1.114 ( -2.026 1.978 -3.317) 4.361 1.164 ( -0.087 0.491 -1.512) 1.592 1.177 ( -0.855 0.428 0.218) 0.981 1.241 ( 2.376 4.076 -0.437) 4.738 1.258 ( 3.161 1.149 0.946) 3.494 1.318 ( -0.587 2.758 2.461) 3.743 1.372 ( -1.398 -1.426 -3.456) 3.991 1.425 ( -1.193 -0.408 -3.619) 3.833 1.483 ( 0.830 -1.126 3.002) 3.312 1.510 ( -0.590 1.588 1.004) 1.969 1.553 ( -0.057 -1.199 -1.088) 1.620 1.617 ( -0.456 -1.365 0.856) 1.674 1.689 ( 3.692 0.814 -0.382) 3.799 1.718 ( 1.458 -3.582 0.624) 3.917 1.773 ( 1.065 -2.866 -3.109) 4.360 1.783 ( -0.930 -1.825 -0.831) 2.211 1.834 ( 0.709 0.869 0.013) 1.122 1.984 ( -1.439 0.571 1.810) 2.382 2.044 ( -1.222 -0.989 -2.011) 2.552 2.057 ( -2.339 -1.047 -2.106) 3.317 2.157 ( -0.025 -1.154 0.307) 1.194 2.751 ( 1.308 1.176 -0.347) 1.793 2.783 ( 0.480 -1.440 -2.712) 3.108 2.807 ( -0.183 -0.134 1.732) 1.747 2.848 ( -0.126 0.619 -0.506) 0.809 3.335 ( -1.185 0.438 1.419) 1.900 3.344 ( -1.339 1.664 2.033) 2.949 3.641 ( 1.587 0.464 -0.518) 1.733 3.677 ( 5.042 3.201 2.136) 6.343 3.758 ( -3.015 -1.454 -3.356) 4.740 3.809 ( 0.492 1.297 -0.147) 1.395 3.873 ( -0.265 0.882 -0.630) 1.116 3.957 ( 0.594 1.266 -1.291) 1.903 4.015 ( 0.561 -0.532 0.489) 0.915 4.064 ( 1.736 -0.371 -3.054) 3.532 4.161 ( -1.267 2.164 0.799) 2.632 4.245 ( 4.085 1.368 -0.340) 4.322 4.309 ( -1.278 -2.246 -1.532) 3.004 4.414 ( -3.750 -3.837 4.751) 7.167 5.147 ( 0.167 0.155 1.921) 1.934 5.201 ( 1.070 -1.690 1.113) 2.289 5.507 ( -3.693 7.592 -1.052) 8.508 5.947 ( 4.065 -1.161 -0.929) 4.329 6.054 ( -1.259 1.234 -0.111) 1.767 6.295 ( 2.676 -3.416 -1.873) 4.727 6.586 ( -3.593 6.302 0.285) 7.260 6.920 ( 1.887 -2.710 4.127) 5.286 7.353 ( 2.321 1.936 -6.734) 7.381 7.415 ( -0.302 1.555 0.445) 1.646 7.637 ( 2.496 -4.531 -0.489) 5.196 7.803 ( -3.872 -2.079 5.011) 6.665 7.874 ( -0.440 4.849 0.195) 4.873 8.041 ( 1.922 -0.111 -2.491) 3.148 8.143 ( 1.229 -0.767 0.409) 1.505 8.418 ( 1.016 0.376 -1.778) 2.082 8.531 ( -8.505 -5.932 -1.492) 10.476 8.718 ( -0.193 -3.057 6.593) 7.270 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -7.625 -1.958 -3.570) 8.644 0.989 ( -9.367 -0.630 -2.714) 9.772 1.042 ( 1.271 2.729 4.600) 5.498 1.131 ( -1.817 0.527 -0.308) 1.916 1.167 ( -1.897 1.635 -0.167) 2.510 1.188 ( 1.097 1.282 2.342) 2.886 1.241 ( -5.057 -2.078 -1.876) 5.780 1.265 ( -0.517 0.917 2.338) 2.564 1.287 ( -3.381 1.392 -1.667) 4.018 1.374 ( 2.455 0.927 -3.480) 4.359 1.432 ( 1.910 -0.312 0.965) 2.163 1.482 ( -0.887 -0.129 -1.707) 1.929 1.518 ( -0.799 0.704 2.676) 2.880 1.564 ( 2.749 -0.668 2.848) 4.014 1.605 ( 1.162 -0.190 -1.456) 1.873 1.689 ( -1.464 -2.538 -0.590) 2.988 1.704 ( -0.143 -4.311 -2.009) 4.758 1.780 ( 0.684 -1.235 -1.325) 1.936 1.796 ( 5.504 2.269 -0.147) 5.956 1.851 ( -0.226 -0.643 3.488) 3.553 1.986 ( -0.379 1.396 1.900) 2.388 2.052 ( 1.273 0.174 0.498) 1.378 2.066 ( 4.922 1.960 -0.353) 5.310 2.152 ( 0.462 -0.639 -0.852) 1.160 2.744 ( -1.490 -0.843 -1.319) 2.161 2.785 ( 0.655 0.991 -2.399) 2.677 2.811 ( 0.545 -1.150 2.272) 2.604 2.852 ( -0.090 0.547 0.218) 0.596 3.330 ( -0.369 0.612 0.982) 1.214 3.345 ( -1.248 1.592 1.742) 2.669 3.640 ( -1.591 -1.104 -1.063) 2.209 3.657 ( -4.609 -1.836 -1.445) 5.167 3.782 ( 3.203 1.278 1.314) 3.691 3.827 ( -0.077 0.510 2.941) 2.986 3.882 ( -0.113 1.100 0.915) 1.435 3.957 ( -0.551 -0.885 -1.118) 1.529 3.996 ( -1.353 0.779 -2.299) 2.780 4.105 ( 2.074 -0.767 3.205) 3.894 4.156 ( -0.937 1.443 -0.313) 1.749 4.259 ( -2.961 -1.976 2.144) 4.156 4.332 ( 4.245 1.001 0.068) 4.362 4.356 ( 0.882 -1.223 -2.813) 3.191 5.122 ( -2.125 -0.590 -2.409) 3.266 5.192 ( -0.150 -2.057 -0.406) 2.102 5.525 ( -3.300 7.354 2.287) 8.379 5.954 ( -0.118 -4.056 0.247) 4.066 6.051 ( -0.606 1.634 -0.438) 1.797 6.301 ( 2.402 -3.142 -0.826) 4.040 6.595 ( -2.998 6.101 1.972) 7.078 6.900 ( -0.818 -4.513 0.523) 4.616 7.394 ( -1.927 0.647 -2.676) 3.360 7.412 ( 1.916 1.596 2.493) 3.527 7.642 ( 2.597 -3.451 -0.033) 4.319 7.781 ( 0.517 1.228 0.675) 1.494 7.880 ( -2.554 2.663 1.523) 3.992 8.034 ( -0.792 -1.275 -3.362) 3.682 8.166 ( 0.269 -1.862 4.177) 4.581 8.398 ( 0.210 0.308 -5.622) 5.635 8.501 ( 6.960 2.537 -3.583) 8.229 8.713 ( 0.636 -2.425 3.655) 4.433 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -9.769 -2.093 -1.190) 10.061 0.780 ( -12.394 -1.349 -2.019) 12.629 0.929 ( -14.379 -3.180 -1.980) 14.859 1.073 ( -1.253 0.080 2.434) 2.739 1.131 ( -3.315 1.307 1.215) 3.765 1.168 ( -2.026 -1.494 0.402) 2.549 1.196 ( 0.037 -0.086 -0.607) 0.614 1.244 ( -4.315 1.392 0.909) 4.624 1.347 ( 2.577 2.748 1.779) 4.166 1.367 ( -0.822 -0.815 -0.714) 1.360 1.399 ( -0.491 -1.474 -3.808) 4.113 1.484 ( -0.288 -1.386 0.071) 1.417 1.533 ( 0.601 1.907 1.694) 2.621 1.597 ( 1.373 -1.837 0.023) 2.293 1.613 ( -2.114 -1.242 0.206) 2.460 1.650 ( -0.201 -0.956 -0.324) 1.029 1.697 ( 4.169 0.424 0.503) 4.221 1.762 ( -0.066 -0.729 -1.305) 1.496 1.858 ( 0.617 1.298 -0.183) 1.449 1.931 ( 5.105 0.385 3.011) 5.939 2.018 ( 1.179 2.527 1.521) 3.176 2.061 ( 1.005 -1.075 1.670) 2.226 2.146 ( -0.154 -0.450 -1.965) 2.022 2.213 ( 7.913 1.682 0.641) 8.115 2.697 ( -2.493 -0.708 -0.816) 2.717 2.790 ( -0.302 0.719 -1.223) 1.450 2.817 ( 0.600 -1.055 1.068) 1.617 2.853 ( -0.530 0.419 0.417) 0.794 3.336 ( -0.676 1.100 -0.052) 1.292 3.346 ( 0.169 0.010 1.071) 1.085 3.526 ( -6.284 -1.570 -0.866) 6.535 3.600 ( -2.765 -0.985 0.444) 2.968 3.825 ( 0.530 0.067 1.801) 1.878 3.833 ( -0.474 0.271 1.589) 1.680 3.894 ( -0.038 0.326 0.640) 0.719 3.916 ( -1.910 -1.280 -1.269) 2.626 3.971 ( -2.395 1.194 -0.087) 2.678 4.104 ( -0.587 -0.728 -0.525) 1.073 4.187 ( -2.479 -1.088 1.464) 3.078 4.203 ( 2.740 0.420 3.395) 4.383 4.387 ( 2.984 0.238 -0.843) 3.110 4.414 ( 4.485 1.055 -2.606) 5.294 5.064 ( -2.793 -0.381 -2.298) 3.637 5.151 ( -2.086 -1.494 -1.234) 2.847 5.544 ( -2.799 4.924 2.094) 6.039 5.867 ( -5.068 -4.640 1.212) 6.977 6.061 ( 0.508 0.993 -0.639) 1.286 6.314 ( 2.138 -1.558 -0.243) 2.657 6.615 ( -1.645 4.052 2.661) 5.119 6.816 ( -3.495 -3.660 -1.466) 5.269 7.335 ( -2.875 -0.294 -3.153) 4.277 7.477 ( 1.778 0.703 6.715) 6.982 7.644 ( 0.893 -2.102 -1.689) 2.840 7.794 ( -1.606 2.032 -0.531) 2.644 7.930 ( 4.781 1.195 3.292) 5.927 7.973 ( -2.098 -1.398 -2.698) 3.692 8.137 ( -1.430 -0.569 -0.603) 1.653 8.495 ( 7.295 2.833 1.174) 7.913 8.655 ( 9.321 2.310 -5.129) 10.887 8.716 ( 1.658 -1.941 -0.762) 2.664 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -11.939 -0.000 0.000) 11.939 0.533 ( -14.527 -0.000 0.000) 14.527 0.629 ( -17.226 -0.000 0.000) 17.226 1.047 ( -1.611 -0.000 0.000) 1.611 1.093 ( -3.760 -0.000 0.000) 3.760 1.114 ( -1.156 -0.000 0.000) 1.156 1.175 ( -4.050 -0.000 0.000) 4.050 1.203 ( 0.543 0.000 -0.000) 0.543 1.320 ( -1.838 -0.000 0.000) 1.838 1.399 ( 0.996 0.000 -0.000) 0.996 1.423 ( 2.029 0.000 -0.000) 2.029 1.450 ( -1.034 -0.000 0.000) 1.034 1.525 ( -3.002 -0.000 0.000) 3.002 1.592 ( 0.804 0.000 -0.000) 0.804 1.597 ( -0.253 -0.000 0.000) 0.253 1.663 ( 0.845 0.000 -0.000) 0.845 1.764 ( 2.656 0.000 -0.000) 2.656 1.764 ( 0.977 0.000 -0.000) 0.977 1.864 ( -0.367 -0.000 0.000) 0.367 2.007 ( 3.283 0.000 -0.000) 3.283 2.061 ( 1.063 0.000 -0.000) 1.063 2.089 ( 2.074 0.000 -0.000) 2.074 2.122 ( -1.447 -0.000 0.000) 1.447 2.357 ( 7.254 0.000 -0.000) 7.254 2.646 ( -2.695 -0.000 0.000) 2.695 2.783 ( -0.570 -0.000 0.000) 0.570 2.812 ( -0.801 -0.000 0.000) 0.801 2.848 ( -0.201 -0.000 0.000) 0.201 3.319 ( -1.691 -0.000 0.000) 1.691 3.355 ( 0.169 0.000 -0.000) 0.169 3.418 ( -4.632 -0.000 0.000) 4.632 3.549 ( -2.232 -0.000 0.000) 2.232 3.817 ( -0.977 -0.000 0.000) 0.977 3.842 ( 0.442 0.000 -0.000) 0.442 3.859 ( -2.422 -0.000 0.000) 2.422 3.898 ( -0.735 -0.000 0.000) 0.735 3.939 ( -1.674 -0.000 0.000) 1.674 4.096 ( 0.262 0.000 -0.000) 0.262 4.141 ( -2.033 -0.000 0.000) 2.033 4.275 ( 3.291 0.000 -0.000) 3.291 4.435 ( 2.347 0.000 -0.000) 2.347 4.495 ( 4.967 0.000 -0.000) 4.967 5.012 ( -2.347 -0.000 0.000) 2.347 5.091 ( -3.577 -0.000 0.000) 3.577 5.534 ( -1.887 -0.000 0.000) 1.887 5.716 ( -8.941 -0.000 0.000) 8.941 6.084 ( 1.561 0.000 -0.000) 1.561 6.341 ( 1.746 0.000 -0.000) 1.746 6.626 ( -0.329 -0.000 0.000) 0.329 6.721 ( -4.381 -0.000 0.000) 4.381 7.283 ( -1.975 -0.000 0.000) 1.975 7.525 ( 1.442 0.000 -0.000) 1.442 7.624 ( -0.952 -0.000 0.000) 0.952 7.784 ( -0.453 -0.000 0.000) 0.453 7.899 ( -2.974 -0.000 0.000) 2.974 8.076 ( 7.570 0.000 -0.000) 7.570 8.115 ( -0.572 -0.000 0.000) 0.572 8.644 ( 6.168 0.000 -0.000) 6.168 8.730 ( 1.998 0.000 -0.000) 1.998 8.821 ( 9.440 0.000 -0.000) 9.440 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -0.000 11.437 6.865) 13.339 0.600 ( -0.000 12.170 2.794) 12.487 0.835 ( -0.000 13.774 12.247) 18.431 1.020 ( 0.000 4.183 -4.267) 5.976 1.059 ( 0.000 2.592 -8.103) 8.508 1.106 ( 0.000 1.793 -1.039) 2.072 1.199 ( -0.000 0.389 2.504) 2.534 1.220 ( -0.000 -0.642 2.588) 2.666 1.330 ( 0.000 1.907 -0.878) 2.099 1.397 ( -0.000 1.583 1.829) 2.419 1.399 ( -0.000 -3.263 1.424) 3.560 1.480 ( 0.000 1.660 -2.420) 2.935 1.502 ( 0.000 0.789 -1.364) 1.576 1.543 ( 0.000 1.024 -10.323) 10.374 1.611 ( 0.000 -0.542 -2.074) 2.144 1.616 ( -0.000 1.399 0.747) 1.586 1.736 ( 0.000 -1.823 -0.687) 1.948 1.760 ( -0.000 -3.166 1.019) 3.326 1.834 ( 0.000 -0.841 -1.188) 1.455 2.020 ( 0.000 -2.329 -4.608) 5.163 2.021 ( 0.000 -0.416 -0.233) 0.477 2.090 ( 0.000 -1.165 0.046) 1.166 2.130 ( -0.000 0.467 2.307) 2.354 2.283 ( 0.000 -5.739 -6.320) 8.537 2.662 ( -0.000 1.738 1.108) 2.061 2.762 ( 0.000 -1.495 -1.291) 1.975 2.825 ( -0.000 0.827 -0.189) 0.848 2.845 ( 0.000 0.510 -0.437) 0.672 3.321 ( -0.000 1.657 0.134) 1.663 3.375 ( -0.000 1.987 0.806) 2.145 3.448 ( -0.000 5.376 0.429) 5.393 3.524 ( 0.000 4.699 -5.178) 6.992 3.788 ( 0.000 2.958 -4.272) 5.196 3.819 ( 0.000 -0.769 -2.453) 2.571 3.879 ( -0.000 0.843 0.441) 0.951 3.908 ( -0.000 1.888 0.627) 1.990 3.912 ( 0.000 0.374 -1.945) 1.981 4.098 ( -0.000 -0.702 1.141) 1.340 4.124 ( 0.000 0.916 -5.622) 5.696 4.197 ( 0.000 -0.630 -0.607) 0.875 4.422 ( 0.000 -4.064 0.417) 4.086 4.615 ( -0.000 -5.313 9.989) 11.314 5.046 ( -0.000 0.988 4.495) 4.602 5.154 ( -0.000 2.780 5.417) 6.089 5.489 ( 0.000 0.492 -2.177) 2.232 5.819 ( -0.000 11.159 -0.646) 11.178 6.053 ( 0.000 -2.382 -0.978) 2.575 6.237 ( 0.000 0.007 -8.573) 8.573 6.650 ( -0.000 0.067 1.646) 1.648 6.830 ( -0.000 7.151 5.918) 9.282 7.258 ( -0.000 0.065 0.498) 0.502 7.364 ( 0.000 0.210 -12.898) 12.900 7.601 ( 0.000 -0.793 -3.901) 3.981 7.769 ( 0.000 -0.195 -1.340) 1.354 7.912 ( -0.000 2.041 -0.317) 2.065 8.034 ( -0.000 -5.944 7.098) 9.258 8.167 ( -0.000 -0.632 0.424) 0.761 8.614 ( 0.000 -2.097 -6.871) 7.183 8.747 ( -0.000 -5.055 9.556) 10.811 8.952 ( -0.000 -12.688 14.226) 19.062 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 3.781 9.713 6.793) 12.441 0.788 ( 6.458 9.485 3.435) 11.978 1.006 ( 1.118 7.975 1.817) 8.256 1.051 ( 1.290 5.178 1.532) 5.552 1.097 ( 2.709 4.475 -4.333) 6.793 1.132 ( 1.132 2.054 -1.894) 3.015 1.203 ( -0.680 -1.099 0.534) 1.398 1.245 ( 3.110 -0.132 1.585) 3.493 1.341 ( 0.184 0.435 -1.556) 1.626 1.375 ( 0.247 -3.678 0.281) 3.697 1.423 ( -0.421 2.362 2.706) 3.616 1.472 ( -0.873 2.498 -1.155) 2.887 1.506 ( 1.296 0.382 -7.918) 8.033 1.559 ( 2.652 1.639 -1.788) 3.594 1.586 ( -1.512 -0.036 -0.778) 1.701 1.626 ( -0.816 1.426 -0.288) 1.668 1.710 ( -0.929 -2.383 0.817) 2.685 1.734 ( 0.356 -2.976 0.452) 3.031 1.812 ( -0.739 -1.786 -1.812) 2.650 1.941 ( -3.004 -3.941 -2.325) 5.474 2.027 ( 0.354 0.201 -0.154) 0.435 2.061 ( -1.484 -0.500 0.219) 1.581 2.143 ( -0.094 -1.207 -0.381) 1.269 2.190 ( -1.850 -4.240 -4.630) 6.545 2.693 ( 1.318 1.319 0.616) 1.964 2.747 ( 1.000 -2.002 -2.220) 3.153 2.824 ( -0.487 0.341 -0.339) 0.684 2.852 ( 0.109 0.588 -0.456) 0.752 3.348 ( 0.789 1.391 0.685) 1.739 3.394 ( -1.014 2.200 2.430) 3.431 3.524 ( 2.261 5.293 0.902) 5.826 3.570 ( 1.567 3.743 -2.455) 4.743 3.796 ( -0.167 0.674 -2.912) 2.994 3.810 ( 0.132 1.315 -3.528) 3.768 3.892 ( -0.570 0.232 -0.874) 1.069 3.914 ( 1.866 1.012 -0.230) 2.135 3.935 ( 0.717 0.962 -1.459) 1.889 4.096 ( -0.911 1.856 -2.113) 2.956 4.123 ( 1.562 -0.299 -1.602) 2.257 4.199 ( -0.073 0.523 2.694) 2.746 4.362 ( -1.701 -3.863 -1.117) 4.366 4.558 ( -3.561 -4.743 6.566) 8.848 5.089 ( 2.135 0.368 4.164) 4.694 5.191 ( -0.367 1.364 4.462) 4.681 5.532 ( 3.864 1.988 -2.902) 5.225 5.868 ( -3.226 6.995 -1.208) 7.797 6.063 ( 2.044 -0.577 0.810) 2.273 6.220 ( 1.025 -0.755 -6.406) 6.531 6.660 ( 0.175 1.645 0.573) 1.750 6.903 ( -1.995 5.177 7.678) 9.472 7.284 ( 1.895 1.285 -7.002) 7.367 7.349 ( 3.005 -0.719 -2.400) 3.912 7.580 ( 0.376 -1.610 -4.451) 4.748 7.790 ( 2.937 0.976 -1.203) 3.320 7.936 ( 0.335 0.788 0.195) 0.878 7.977 ( -1.506 -6.103 6.987) 9.399 8.165 ( -0.948 1.718 0.497) 2.024 8.517 ( -4.225 -3.599 -6.743) 8.733 8.736 ( -0.823 -2.366 6.692) 7.146 8.817 ( -5.312 -11.807 9.498) 16.057 ======================= Grid point 21 (15/65) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 4.790 6.966 6.148) 10.453 1.004 ( 6.786 7.441 2.910) 10.482 1.042 ( -0.584 3.197 -2.573) 4.145 1.146 ( -0.128 1.918 -2.615) 3.245 1.153 ( 1.329 0.388 -1.103) 1.770 1.178 ( 0.795 0.388 -1.151) 1.451 1.195 ( 3.235 3.580 0.389) 4.841 1.272 ( -1.257 -1.388 -2.977) 3.517 1.335 ( 1.477 1.046 -0.142) 1.815 1.388 ( 3.095 -2.021 -0.440) 3.722 1.429 ( -3.076 3.688 2.679) 5.499 1.473 ( 0.112 3.334 -1.396) 3.616 1.535 ( 0.681 0.855 -0.019) 1.094 1.553 ( -1.638 -0.125 1.109) 1.982 1.628 ( 1.710 -0.216 -0.333) 1.755 1.644 ( 3.171 0.955 -0.703) 3.386 1.659 ( -1.631 -2.739 2.952) 4.345 1.703 ( 0.055 -2.899 -3.722) 4.718 1.765 ( -0.794 -3.193 -1.414) 3.581 1.840 ( -2.177 -3.757 -1.547) 4.610 2.025 ( -1.621 0.305 2.129) 2.693 2.047 ( -0.605 -0.278 -1.039) 1.234 2.070 ( -1.844 -1.859 -3.943) 4.733 2.150 ( -0.559 -1.359 0.291) 1.498 2.733 ( 1.789 0.909 0.060) 2.008 2.741 ( 1.361 -1.681 -2.272) 3.137 2.817 ( -0.499 0.039 0.121) 0.515 2.855 ( -0.134 0.459 -0.399) 0.623 3.366 ( -0.692 0.874 1.397) 1.787 3.402 ( -1.726 2.386 2.981) 4.191 3.615 ( 2.279 1.326 -0.665) 2.719 3.635 ( 3.508 3.693 0.884) 5.169 3.774 ( -1.193 -1.026 -2.282) 2.772 3.822 ( 0.000 2.083 -1.017) 2.318 3.880 ( -0.230 0.804 -1.700) 1.895 3.932 ( 0.631 -1.550 -0.941) 1.920 3.978 ( 3.772 0.558 -1.005) 3.943 4.081 ( -2.686 2.935 -1.630) 4.300 4.169 ( 3.226 0.444 1.180) 3.464 4.221 ( 0.190 1.889 1.877) 2.669 4.295 ( -1.138 -2.995 -1.699) 3.626 4.458 ( -4.397 -4.499 3.182) 7.050 5.139 ( 1.852 -0.286 2.513) 3.135 5.193 ( -1.214 -0.402 1.861) 2.258 5.619 ( 1.658 6.700 -1.842) 7.144 5.874 ( 0.376 -0.077 -0.644) 0.750 6.089 ( -0.238 1.466 1.525) 2.128 6.209 ( 1.886 -2.502 -4.092) 5.154 6.694 ( -0.151 4.748 -0.440) 4.771 6.909 ( -2.783 -0.708 6.750) 7.335 7.305 ( 2.441 2.378 -7.688) 8.409 7.416 ( 3.293 0.846 1.726) 3.813 7.552 ( 1.108 -3.523 -2.677) 4.562 7.865 ( -3.494 -2.198 3.098) 5.161 7.883 ( 3.754 1.352 3.182) 5.103 7.992 ( 2.928 0.278 -2.670) 3.973 8.157 ( -2.909 0.718 2.165) 3.697 8.394 ( -1.719 -3.571 -5.375) 6.678 8.609 ( -7.634 -5.117 -4.273) 10.135 8.734 ( -1.535 -3.199 11.592) 12.123 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -6.794 0.459 -0.994) 6.882 1.061 ( 2.073 4.179 3.974) 6.128 1.119 ( -3.465 0.935 -0.855) 3.689 1.161 ( 0.748 0.139 -0.405) 0.862 1.174 ( -0.669 -2.490 -1.057) 2.787 1.191 ( 1.463 5.764 0.229) 5.951 1.214 ( 2.789 0.600 -1.350) 3.156 1.298 ( 4.494 -1.494 -1.688) 5.028 1.337 ( -3.358 0.496 -3.726) 5.041 1.377 ( -2.011 0.164 1.459) 2.490 1.433 ( -2.048 2.729 2.718) 4.362 1.504 ( -1.737 0.720 -1.319) 2.296 1.531 ( 0.681 0.256 4.012) 4.078 1.572 ( -2.613 1.635 1.541) 3.446 1.584 ( 0.395 0.294 -1.241) 1.335 1.637 ( 0.428 -3.686 -2.414) 4.427 1.673 ( 2.227 -4.338 0.743) 4.932 1.701 ( 3.560 -0.332 -1.409) 3.843 1.740 ( 1.885 -1.493 -0.371) 2.433 1.839 ( 2.795 -0.215 0.224) 2.813 1.996 ( 1.035 -0.093 -1.785) 2.065 2.022 ( -1.054 0.966 1.432) 2.024 2.062 ( -0.617 -0.070 0.249) 0.669 2.134 ( 0.402 -0.708 -0.406) 0.910 2.741 ( 0.499 -0.834 -1.284) 1.610 2.769 ( 1.524 0.656 -0.557) 1.750 2.809 ( -0.431 -0.343 0.651) 0.853 2.856 ( 0.014 0.287 -0.102) 0.305 3.356 ( -1.398 0.421 1.195) 1.887 3.399 ( -2.042 1.657 1.718) 3.141 3.639 ( 0.341 -0.020 -0.652) 0.736 3.714 ( -3.787 -0.986 -1.323) 4.131 3.734 ( 4.074 1.299 0.682) 4.330 3.838 ( 0.247 0.782 1.389) 1.613 3.895 ( 0.627 1.659 -1.545) 2.352 3.923 ( 0.749 -2.278 0.003) 2.398 4.043 ( 1.810 1.978 -2.297) 3.531 4.056 ( -0.502 -0.217 2.093) 2.163 4.205 ( -2.486 1.434 -0.198) 2.877 4.253 ( 3.171 -0.967 0.863) 3.425 4.282 ( 1.706 0.958 -0.786) 2.108 4.352 ( -3.491 -3.468 0.813) 4.987 5.150 ( -1.759 0.183 -0.367) 1.807 5.171 ( 0.398 -1.448 0.594) 1.615 5.683 ( -3.951 8.727 0.769) 9.611 5.874 ( 3.417 -5.462 -0.694) 6.480 6.090 ( -1.829 1.738 0.440) 2.561 6.218 ( 3.257 -2.406 -1.422) 4.292 6.731 ( -3.183 7.546 -0.700) 8.220 6.855 ( -0.681 -6.158 3.433) 7.083 7.366 ( 3.860 1.544 -1.696) 4.490 7.447 ( -2.099 2.131 -2.062) 3.633 7.555 ( 4.068 -3.344 0.891) 5.341 7.792 ( -2.199 -1.389 3.368) 4.255 7.980 ( 0.709 3.421 -0.601) 3.545 8.016 ( -2.213 1.778 -3.367) 4.404 8.112 ( 2.645 -4.180 3.960) 6.336 8.377 ( 2.419 -1.598 -4.087) 5.011 8.451 ( -3.602 -0.048 -2.677) 4.488 8.713 ( -1.361 -1.627 4.897) 5.336 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -8.855 -0.000 0.000) 8.855 0.976 ( -10.777 -0.000 0.000) 10.777 1.100 ( -0.813 -0.000 0.000) 0.813 1.126 ( -7.771 -0.000 0.000) 7.771 1.173 ( -0.356 -0.000 0.000) 0.356 1.188 ( -2.422 -0.000 0.000) 2.422 1.221 ( -2.441 -0.000 0.000) 2.441 1.314 ( 4.178 0.000 -0.000) 4.178 1.339 ( -2.192 -0.000 0.000) 2.192 1.366 ( -2.085 -0.000 0.000) 2.085 1.375 ( -0.561 -0.000 0.000) 0.561 1.504 ( -1.795 -0.000 0.000) 1.795 1.527 ( 2.248 0.000 -0.000) 2.248 1.567 ( 0.120 0.000 -0.000) 0.120 1.616 ( 0.849 0.000 -0.000) 0.849 1.636 ( 2.792 0.000 -0.000) 2.792 1.643 ( -0.471 -0.000 0.000) 0.471 1.754 ( 0.513 0.000 -0.000) 0.513 1.826 ( 7.652 0.000 -0.000) 7.652 1.858 ( 0.232 0.000 -0.000) 0.232 2.027 ( 0.374 0.000 -0.000) 0.374 2.041 ( -0.288 -0.000 0.000) 0.288 2.085 ( 7.267 0.000 -0.000) 7.267 2.141 ( 0.464 0.000 -0.000) 0.464 2.727 ( -1.374 -0.000 0.000) 1.374 2.796 ( 1.279 0.000 -0.000) 1.279 2.800 ( -0.449 -0.000 0.000) 0.449 2.860 ( 0.098 0.000 -0.000) 0.098 3.342 ( -0.515 -0.000 0.000) 0.515 3.375 ( -1.967 -0.000 0.000) 1.967 3.622 ( -5.729 -0.000 0.000) 5.729 3.629 ( -1.204 -0.000 0.000) 1.204 3.798 ( 2.474 0.000 -0.000) 2.474 3.851 ( -0.043 -0.000 0.000) 0.043 3.905 ( -0.637 -0.000 0.000) 0.637 3.917 ( 0.438 0.000 -0.000) 0.438 4.020 ( -2.204 -0.000 0.000) 2.204 4.112 ( 1.910 0.000 -0.000) 1.910 4.162 ( -0.773 -0.000 0.000) 0.773 4.241 ( -3.417 -0.000 0.000) 3.417 4.334 ( 2.879 0.000 -0.000) 2.879 4.342 ( 3.894 0.000 -0.000) 3.894 5.107 ( -2.722 -0.000 0.000) 2.722 5.166 ( -0.640 -0.000 0.000) 0.640 5.647 ( -4.907 -0.000 0.000) 4.907 5.882 ( 0.380 0.000 -0.000) 0.380 6.072 ( -1.087 -0.000 0.000) 1.087 6.259 ( 2.989 0.000 -0.000) 2.989 6.699 ( -4.445 -0.000 0.000) 4.445 6.823 ( -0.236 -0.000 0.000) 0.236 7.389 ( -3.516 -0.000 0.000) 3.516 7.445 ( 3.222 0.000 -0.000) 3.222 7.605 ( 2.652 0.000 -0.000) 2.652 7.796 ( 2.166 0.000 -0.000) 2.166 7.921 ( -4.197 -0.000 0.000) 4.197 8.002 ( -1.160 -0.000 0.000) 1.160 8.155 ( 0.180 0.000 -0.000) 0.180 8.386 ( 4.616 0.000 -0.000) 4.616 8.515 ( 7.366 0.000 -0.000) 7.366 8.696 ( -0.389 -0.000 0.000) 0.389 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.000 8.416 8.268) 11.798 0.826 ( -0.000 8.543 2.126) 8.803 1.037 ( 0.000 1.094 -5.887) 5.988 1.102 ( 0.000 6.078 -2.481) 6.564 1.113 ( -0.000 5.172 3.059) 6.008 1.143 ( 0.000 2.362 -1.370) 2.731 1.186 ( 0.000 -2.449 0.155) 2.454 1.224 ( -0.000 0.380 2.173) 2.206 1.325 ( 0.000 -5.134 1.549) 5.363 1.334 ( 0.000 0.352 -4.120) 4.135 1.454 ( 0.000 3.718 -2.638) 4.559 1.495 ( 0.000 -0.233 -1.478) 1.496 1.497 ( -0.000 3.194 1.541) 3.546 1.545 ( 0.000 2.503 -3.428) 4.244 1.601 ( -0.000 -0.322 0.435) 0.541 1.665 ( -0.000 2.881 -0.297) 2.897 1.694 ( -0.000 -3.419 2.178) 4.054 1.709 ( 0.000 -0.564 0.094) 0.572 1.804 ( 0.000 -1.581 -0.076) 1.583 1.902 ( 0.000 -6.688 -3.091) 7.368 2.026 ( -0.000 0.424 0.721) 0.836 2.062 ( 0.000 -0.584 -1.733) 1.828 2.141 ( 0.000 -4.124 -5.258) 6.683 2.150 ( -0.000 0.154 1.677) 1.684 2.693 ( -0.000 0.709 0.017) 0.709 2.710 ( 0.000 -1.781 -1.847) 2.566 2.827 ( 0.000 -0.043 -0.778) 0.779 2.855 ( -0.000 0.459 -0.097) 0.469 3.355 ( -0.000 1.292 0.894) 1.571 3.437 ( -0.000 2.736 2.113) 3.457 3.562 ( -0.000 4.702 1.059) 4.820 3.589 ( 0.000 3.785 -1.386) 4.031 3.782 ( 0.000 -0.988 -2.594) 2.776 3.809 ( 0.000 1.311 -3.602) 3.833 3.893 ( -0.000 0.121 0.457) 0.473 3.910 ( 0.000 0.523 -1.221) 1.328 3.938 ( 0.000 1.122 -1.175) 1.625 4.092 ( -0.000 -0.524 0.804) 0.959 4.133 ( 0.000 3.146 -1.278) 3.396 4.212 ( -0.000 0.660 2.006) 2.112 4.337 ( 0.000 -3.696 -0.650) 3.753 4.562 ( -0.000 -4.610 3.339) 5.692 5.082 ( -0.000 -0.006 2.944) 2.944 5.227 ( -0.000 1.252 3.643) 3.852 5.491 ( 0.000 0.927 -1.462) 1.731 5.998 ( -0.000 6.655 -0.143) 6.656 6.003 ( 0.000 -1.817 -0.641) 1.926 6.197 ( 0.000 0.571 -4.726) 4.760 6.659 ( -0.000 -0.062 1.064) 1.066 7.025 ( -0.000 6.805 6.535) 9.435 7.262 ( -0.000 0.041 0.375) 0.377 7.287 ( 0.000 -0.521 -6.932) 6.951 7.553 ( 0.000 -1.073 -4.407) 4.536 7.757 ( 0.000 -0.102 -0.938) 0.944 7.922 ( 0.000 -0.416 -2.697) 2.729 7.972 ( -0.000 -4.785 9.026) 10.216 8.203 ( -0.000 3.202 1.880) 3.713 8.486 ( 0.000 -5.399 -6.452) 8.413 8.745 ( 0.000 -0.127 -7.391) 7.392 8.786 ( -0.000 -10.153 17.672) 20.381 ======================= Grid point 29 (19/65) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 2.638 6.702 5.700) 9.185 0.960 ( 5.718 4.915 2.499) 7.943 1.039 ( 1.737 0.885 -3.949) 4.405 1.128 ( 0.111 -0.494 -0.927) 1.056 1.148 ( 0.581 -1.279 -1.575) 2.111 1.175 ( -0.108 -0.290 -1.787) 1.814 1.186 ( 0.868 3.765 -0.956) 3.980 1.242 ( 2.572 0.494 -0.839) 2.750 1.297 ( 2.549 -4.805 1.333) 5.601 1.344 ( -0.245 2.968 -0.530) 3.024 1.495 ( 0.811 1.607 -1.152) 2.137 1.504 ( 1.761 1.495 -1.330) 2.666 1.531 ( -0.635 2.956 2.920) 4.204 1.570 ( 2.500 0.828 -1.509) 3.035 1.582 ( -1.419 -1.302 0.985) 2.163 1.647 ( -2.627 1.751 1.266) 3.401 1.690 ( -1.742 -0.855 -0.438) 1.989 1.707 ( -0.224 1.344 1.113) 1.759 1.762 ( -2.790 -2.455 -0.238) 3.724 1.809 ( -1.027 -6.357 -2.999) 7.103 2.040 ( 0.663 0.468 0.707) 1.076 2.053 ( -0.095 -0.178 -0.475) 0.516 2.070 ( -2.242 -2.103 -2.973) 4.276 2.152 ( -0.525 -0.354 0.513) 0.815 2.696 ( 1.247 -1.107 -1.399) 2.177 2.713 ( 1.142 0.392 0.121) 1.214 2.822 ( -0.207 -0.064 -0.350) 0.411 2.858 ( 0.018 0.243 -0.103) 0.264 3.377 ( 0.651 0.712 0.704) 1.194 3.458 ( -1.059 1.803 1.900) 2.825 3.602 ( 0.429 1.616 -0.039) 1.673 3.633 ( 1.413 2.789 0.401) 3.152 3.766 ( -0.034 -0.835 -1.635) 1.836 3.819 ( 1.332 0.656 -2.024) 2.510 3.892 ( -0.430 0.232 -0.218) 0.535 3.924 ( -1.174 -0.123 -0.462) 1.268 3.927 ( 1.647 0.180 -0.735) 1.813 4.116 ( 2.442 -0.143 0.331) 2.468 4.155 ( -1.341 3.158 1.485) 3.738 4.222 ( 0.872 -0.121 -1.539) 1.773 4.295 ( -1.434 -1.531 1.068) 2.354 4.496 ( -3.477 -3.177 0.906) 4.796 5.108 ( 1.877 -0.235 1.493) 2.410 5.230 ( -1.704 0.331 1.705) 2.433 5.554 ( 6.309 1.205 -0.951) 6.493 5.944 ( -4.312 1.458 -0.406) 4.570 6.077 ( 2.540 0.800 0.949) 2.827 6.181 ( -0.969 0.037 -2.873) 3.033 6.682 ( 2.296 0.328 0.410) 2.356 7.038 ( -6.044 2.915 4.141) 7.886 7.270 ( 1.341 1.548 -4.685) 5.114 7.328 ( 5.671 -1.111 1.325) 5.928 7.524 ( -0.614 -1.137 -2.276) 2.617 7.799 ( 4.825 0.557 -0.800) 4.923 7.926 ( 0.205 -1.920 2.669) 3.294 7.935 ( -1.007 -1.102 0.806) 1.696 8.238 ( -1.513 3.863 4.093) 5.829 8.374 ( -3.413 -5.471 -6.308) 9.020 8.657 ( -4.210 -2.806 -4.422) 6.719 8.773 ( -1.367 -1.919 8.620) 8.936 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 2.714 0.000 -0.000) 2.714 1.081 ( 4.072 0.000 -0.000) 4.072 1.097 ( -4.781 -0.000 0.000) 4.781 1.115 ( 5.551 0.000 -0.000) 5.551 1.141 ( 0.925 0.000 -0.000) 0.925 1.149 ( 3.985 0.000 -0.000) 3.985 1.211 ( 0.270 0.000 -0.000) 0.270 1.292 ( -2.616 -0.000 0.000) 2.616 1.331 ( 3.725 0.000 -0.000) 3.725 1.354 ( 1.867 0.000 -0.000) 1.867 1.516 ( -1.477 -0.000 0.000) 1.477 1.537 ( -2.994 -0.000 0.000) 2.994 1.541 ( 2.914 0.000 -0.000) 2.914 1.558 ( 1.077 0.000 -0.000) 1.077 1.607 ( 1.585 0.000 -0.000) 1.585 1.634 ( -3.003 -0.000 0.000) 3.003 1.660 ( -5.750 -0.000 0.000) 5.750 1.677 ( 3.696 0.000 -0.000) 3.696 1.685 ( -2.006 -0.000 0.000) 2.006 1.781 ( 2.218 0.000 -0.000) 2.218 2.009 ( -2.443 -0.000 0.000) 2.443 2.043 ( -0.626 -0.000 0.000) 0.626 2.065 ( 0.753 0.000 -0.000) 0.753 2.134 ( -1.017 -0.000 0.000) 1.017 2.713 ( 1.547 0.000 -0.000) 1.547 2.742 ( 1.761 0.000 -0.000) 1.761 2.816 ( -0.410 -0.000 0.000) 0.410 2.859 ( -0.119 -0.000 0.000) 0.119 3.382 ( -0.779 -0.000 0.000) 0.779 3.446 ( -1.831 -0.000 0.000) 1.831 3.623 ( 1.276 0.000 -0.000) 1.276 3.682 ( 2.710 0.000 -0.000) 2.710 3.750 ( -1.192 -0.000 0.000) 1.192 3.843 ( 0.499 0.000 -0.000) 0.499 3.891 ( 0.127 0.000 -0.000) 0.127 3.899 ( 0.086 0.000 -0.000) 0.086 3.977 ( 3.613 0.000 -0.000) 3.613 4.116 ( -3.153 -0.000 0.000) 3.153 4.183 ( 3.375 0.000 -0.000) 3.375 4.246 ( 1.802 0.000 -0.000) 1.802 4.264 ( -1.772 -0.000 0.000) 1.772 4.407 ( -4.567 -0.000 0.000) 4.567 5.142 ( 1.702 0.000 -0.000) 1.702 5.194 ( -2.499 -0.000 0.000) 2.499 5.700 ( 8.711 0.000 -0.000) 8.711 5.856 ( -6.381 -0.000 0.000) 6.381 6.137 ( 3.731 0.000 -0.000) 3.731 6.143 ( -2.362 -0.000 0.000) 2.362 6.741 ( 3.740 0.000 -0.000) 3.740 6.929 ( -8.082 -0.000 0.000) 8.082 7.309 ( 3.026 0.000 -0.000) 3.026 7.437 ( 6.605 0.000 -0.000) 6.605 7.495 ( -1.633 -0.000 0.000) 1.633 7.854 ( -4.650 -0.000 0.000) 4.650 7.904 ( 6.232 0.000 -0.000) 6.232 7.990 ( 4.975 0.000 -0.000) 4.975 8.183 ( -8.583 -0.000 0.000) 8.583 8.312 ( 2.153 0.000 -0.000) 2.153 8.541 ( -6.365 -0.000 0.000) 6.365 8.747 ( -2.052 -0.000 0.000) 2.052 ======================= Grid point 39 (21/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.000 0.000 0.000) 0.000 0.973 ( -0.000 0.000 0.000) 0.000 1.004 ( -0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 -0.000) 0.000 1.143 ( -0.000 0.000 0.000) 0.000 1.151 ( -0.000 0.000 0.000) 0.000 1.197 ( -0.000 0.000 0.000) 0.000 1.236 ( -0.000 0.000 0.000) 0.000 1.238 ( -0.000 -0.000 0.000) 0.000 1.363 ( -0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.551 ( -0.000 0.000 0.000) 0.000 1.559 ( -0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 -0.000) 0.000 1.702 ( -0.000 -0.000 0.000) 0.000 1.705 ( 0.000 0.000 -0.000) 0.000 1.734 ( 0.000 -0.000 -0.000) 0.000 1.742 ( -0.000 0.000 0.000) 0.000 1.782 ( -0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 -0.000) 0.000 2.051 ( 0.000 0.000 -0.000) 0.000 2.073 ( -0.000 -0.000 0.000) 0.000 2.158 ( -0.000 0.000 0.000) 0.000 2.676 ( -0.000 0.000 0.000) 0.000 2.705 ( -0.000 0.000 0.000) 0.000 2.823 ( -0.000 0.000 0.000) 0.000 2.859 ( -0.000 0.000 0.000) 0.000 3.374 ( -0.000 0.000 0.000) 0.000 3.480 ( -0.000 0.000 0.000) 0.000 3.619 ( -0.000 0.000 0.000) 0.000 3.629 ( -0.000 0.000 0.000) 0.000 3.758 ( -0.000 0.000 -0.000) 0.000 3.802 ( -0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 -0.000) 0.000 3.912 ( -0.000 0.000 0.000) 0.000 3.945 ( -0.000 0.000 0.000) 0.000 4.089 ( -0.000 0.000 0.000) 0.000 4.193 ( 0.000 -0.000 -0.000) 0.000 4.204 ( -0.000 0.000 0.000) 0.000 4.303 ( -0.000 0.000 0.000) 0.000 4.513 ( -0.000 0.000 0.000) 0.000 5.091 ( -0.000 0.000 0.000) 0.000 5.252 ( -0.000 0.000 0.000) 0.000 5.497 ( -0.000 0.000 -0.000) 0.000 5.982 ( -0.000 0.000 0.000) 0.000 6.067 ( -0.000 0.000 0.000) 0.000 6.188 ( -0.000 0.000 0.000) 0.000 6.662 ( -0.000 0.000 0.000) 0.000 7.129 ( -0.000 0.000 0.000) 0.000 7.258 ( -0.000 -0.000 0.000) 0.000 7.264 ( -0.000 0.000 0.000) 0.000 7.519 ( -0.000 0.000 0.000) 0.000 7.753 ( -0.000 0.000 0.000) 0.000 7.898 ( -0.000 0.000 0.000) 0.000 7.960 ( -0.000 0.000 0.000) 0.000 8.285 ( -0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 -0.000) 0.000 8.670 ( -0.000 0.000 0.000) 0.000 8.791 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 78 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.157 ( -0.000 0.000 15.298) 15.298 0.157 ( -0.000 0.000 15.298) 15.298 0.269 ( -0.000 0.000 30.635) 30.635 0.973 ( 0.000 -0.000 -7.116) 7.116 0.973 ( 0.000 -0.000 -7.116) 7.116 1.133 ( -0.000 0.000 4.511) 4.511 1.133 ( -0.000 0.000 4.511) 4.511 1.218 ( -0.000 0.000 1.749) 1.749 1.300 ( -0.000 0.000 1.029) 1.029 1.366 ( 0.000 -0.000 -7.018) 7.018 1.432 ( 0.000 -0.000 -1.006) 1.006 1.432 ( 0.000 -0.000 -1.006) 1.006 1.491 ( -0.000 0.000 2.800) 2.800 1.600 ( 0.000 -0.000 -1.132) 1.132 1.600 ( 0.000 -0.000 -1.132) 1.132 1.737 ( 0.000 -0.000 -2.923) 2.923 1.792 ( -0.000 0.000 0.960) 0.960 1.792 ( -0.000 0.000 0.960) 0.960 1.854 ( 0.000 -0.000 -1.109) 1.109 1.854 ( 0.000 -0.000 -1.109) 1.109 2.066 ( 0.000 -0.000 -3.392) 3.392 2.085 ( -0.000 0.000 0.859) 0.859 2.085 ( -0.000 0.000 0.859) 0.859 2.482 ( 0.000 -0.000 -7.340) 7.340 2.605 ( -0.000 0.000 2.968) 2.968 2.775 ( -0.000 0.000 1.057) 1.057 2.775 ( -0.000 0.000 1.057) 1.057 2.843 ( 0.000 -0.000 -1.118) 1.118 3.260 ( 0.000 -0.000 -0.056) 0.056 3.260 ( 0.000 -0.000 -0.056) 0.056 3.354 ( 0.000 -0.000 -1.410) 1.410 3.354 ( 0.000 -0.000 -1.410) 1.410 3.824 ( -0.000 0.000 2.334) 2.334 3.843 ( 0.000 -0.000 -1.370) 1.370 3.843 ( 0.000 -0.000 -1.370) 1.370 3.910 ( 0.000 -0.000 -2.899) 2.899 3.910 ( 0.000 -0.000 -2.899) 2.899 4.118 ( -0.000 0.000 2.323) 2.323 4.118 ( -0.000 0.000 2.323) 2.323 4.205 ( 0.000 -0.000 -2.633) 2.633 4.523 ( -0.000 0.000 6.330) 6.330 5.000 ( -0.000 0.000 5.549) 5.549 5.000 ( -0.000 0.000 5.549) 5.549 5.021 ( 0.000 -0.000 -2.763) 2.763 5.487 ( 0.000 -0.000 -2.845) 2.845 5.487 ( 0.000 -0.000 -2.845) 2.845 6.117 ( 0.000 -0.000 -0.772) 0.772 6.117 ( 0.000 -0.000 -0.772) 0.772 6.620 ( 0.000 -0.000 -1.613) 1.613 6.620 ( 0.000 -0.000 -1.613) 1.613 7.274 ( -0.000 0.000 4.096) 4.096 7.274 ( -0.000 0.000 4.096) 4.096 7.773 ( 0.000 -0.000 -2.476) 2.476 7.773 ( 0.000 -0.000 -2.476) 2.476 7.851 ( -0.000 0.000 0.729) 0.729 8.095 ( -0.000 0.000 1.756) 1.756 8.258 ( -0.000 0.000 2.434) 2.434 8.621 ( 0.000 -0.000 -4.461) 4.461 9.049 ( 0.000 -0.000 -0.929) 0.929 9.326 ( -0.000 0.000 5.123) 5.123 ======================= Grid point 79 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 10.041 5.797 9.764) 15.158 0.399 ( 11.109 6.414 9.289) 15.838 0.547 ( 10.983 6.341 21.868) 25.279 0.959 ( 1.474 0.851 -7.265) 7.461 0.980 ( 2.127 1.228 -7.565) 7.953 1.147 ( 0.733 0.423 4.291) 4.373 1.155 ( 0.212 0.122 2.233) 2.246 1.225 ( -0.011 -0.007 2.828) 2.828 1.308 ( 0.595 0.343 -0.619) 0.924 1.363 ( 1.887 1.090 -2.602) 3.394 1.413 ( -1.436 -0.829 -1.380) 2.157 1.451 ( 1.669 0.964 -0.966) 2.155 1.507 ( 0.852 0.492 2.783) 2.952 1.581 ( -1.116 -0.644 -1.514) 1.988 1.586 ( -1.126 -0.650 -5.067) 5.231 1.614 ( -0.387 -0.223 -3.974) 3.999 1.794 ( -0.392 -0.226 0.937) 1.041 1.796 ( -0.801 -0.463 0.932) 1.313 1.858 ( 0.360 0.208 -0.701) 0.815 1.955 ( 0.328 0.189 -8.115) 8.124 2.042 ( -0.632 -0.365 -3.115) 3.199 2.075 ( -0.888 -0.513 0.558) 1.167 2.155 ( 2.510 1.449 0.915) 3.039 2.391 ( -4.377 -2.527 -8.717) 10.077 2.633 ( 1.418 0.819 2.907) 3.336 2.783 ( 0.335 0.194 0.960) 1.035 2.800 ( 0.982 0.567 0.721) 1.344 2.837 ( -0.183 -0.106 -1.565) 1.579 3.295 ( 2.045 1.181 0.423) 2.399 3.330 ( 2.468 1.425 -2.320) 3.675 3.361 ( 1.842 1.063 -1.120) 2.403 3.422 ( 5.252 3.032 -8.218) 10.214 3.762 ( -2.272 -1.312 -3.217) 4.151 3.838 ( -0.054 -0.031 -2.747) 2.748 3.865 ( 1.262 0.729 2.272) 2.699 3.886 ( 0.344 0.199 0.429) 0.584 3.893 ( -0.404 -0.233 -2.422) 2.466 4.125 ( 0.432 0.249 1.945) 2.008 4.132 ( 0.089 0.051 2.702) 2.704 4.180 ( -1.292 -0.746 -7.129) 7.283 4.488 ( -3.147 -1.817 2.028) 4.162 4.738 ( -9.849 -5.687 12.847) 17.158 5.040 ( 1.358 0.784 7.328) 7.494 5.087 ( 3.850 2.223 7.087) 8.366 5.467 ( -0.518 -0.299 -4.220) 4.262 5.566 ( 7.102 4.100 -3.286) 8.834 6.105 ( -0.906 -0.523 -0.808) 1.322 6.265 ( 4.322 2.495 -10.394) 11.530 6.581 ( -1.545 -0.892 -2.480) 3.055 6.726 ( 4.984 2.878 3.762) 6.876 7.306 ( 1.364 0.788 -10.651) 10.767 7.324 ( 1.579 0.912 5.880) 6.156 7.694 ( -1.431 -0.826 1.122) 1.998 7.751 ( -0.622 -0.359 -3.627) 3.698 7.874 ( 1.464 0.845 0.686) 1.825 8.099 ( -0.914 -0.528 5.727) 5.823 8.220 ( -3.381 -1.952 -0.818) 3.989 8.590 ( -2.082 -1.202 -8.466) 8.801 8.894 ( -6.041 -3.488 8.507) 11.001 9.192 ( -9.507 -5.489 19.626) 22.487 ======================= Grid point 80 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 11.188 6.460 7.138) 14.760 0.677 ( 10.364 5.984 6.563) 13.649 0.856 ( 9.792 5.654 13.293) 17.452 0.985 ( 2.637 1.522 -4.452) 5.393 1.016 ( 2.986 1.724 -6.755) 7.584 1.170 ( 0.767 0.443 -0.834) 1.216 1.190 ( 1.490 0.860 3.531) 3.928 1.224 ( -0.687 -0.397 2.506) 2.629 1.338 ( 2.226 1.285 -0.083) 2.572 1.356 ( -2.944 -1.700 -0.574) 3.447 1.424 ( 3.013 1.740 0.688) 3.547 1.476 ( 0.514 0.297 -5.144) 5.178 1.512 ( -2.411 -1.392 -0.903) 2.927 1.567 ( 2.388 1.378 -6.857) 7.391 1.576 ( 2.515 1.452 0.256) 2.915 1.605 ( 0.440 0.254 -2.153) 2.212 1.767 ( -2.234 -1.290 2.657) 3.703 1.784 ( -0.469 -0.271 0.285) 0.611 1.861 ( -0.170 -0.098 -0.720) 0.746 1.902 ( -2.564 -1.480 -5.438) 6.192 2.022 ( -0.735 -0.424 0.490) 0.979 2.049 ( -1.119 -0.646 -0.216) 1.310 2.184 ( -0.187 -0.108 0.733) 0.764 2.242 ( -5.349 -3.088 -9.343) 11.200 2.681 ( 1.956 1.129 1.389) 2.652 2.794 ( 0.334 0.193 0.604) 0.717 2.820 ( 0.683 0.394 -0.043) 0.790 2.824 ( -0.399 -0.231 -1.876) 1.932 3.319 ( 0.289 0.167 0.119) 0.355 3.362 ( 0.291 0.168 1.209) 1.255 3.460 ( 6.101 3.522 1.171) 7.141 3.521 ( 5.173 2.987 -3.345) 6.846 3.739 ( 1.217 0.703 -4.611) 4.821 3.817 ( -0.764 -0.441 -4.700) 4.783 3.877 ( -0.469 -0.271 -0.880) 1.034 3.897 ( 0.913 0.527 0.208) 1.075 3.928 ( 3.321 1.917 0.136) 3.837 4.114 ( -1.844 -1.064 -5.274) 5.687 4.139 ( -0.224 -0.129 2.008) 2.024 4.158 ( 1.676 0.968 0.868) 2.121 4.415 ( -3.110 -1.795 -1.063) 3.745 4.608 ( -6.034 -3.484 9.575) 11.842 5.106 ( 1.825 1.054 7.874) 8.151 5.181 ( 2.208 1.275 5.884) 6.413 5.435 ( -0.746 -0.431 -5.173) 5.244 5.752 ( 8.994 5.193 -3.123) 10.845 6.075 ( -1.316 -0.760 -0.803) 1.719 6.299 ( 1.928 1.113 -6.243) 6.628 6.540 ( -1.337 -0.772 -1.224) 1.970 6.856 ( 4.369 2.523 7.656) 9.169 7.283 ( 0.824 0.476 -11.483) 11.522 7.378 ( 1.247 0.720 4.908) 5.115 7.717 ( 2.285 1.319 1.842) 3.217 7.723 ( -0.587 -0.339 -3.612) 3.675 7.914 ( 1.388 0.801 -0.503) 1.679 8.072 ( -4.554 -2.629 8.157) 9.705 8.139 ( -1.118 -0.646 -3.131) 3.387 8.486 ( -3.541 -2.044 -8.615) 9.536 8.824 ( -3.795 -2.191 7.544) 8.725 8.979 ( -13.002 -7.507 11.928) 19.175 ======================= Grid point 81 (25/65) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 8.265 4.772 6.717) 11.671 0.913 ( 8.337 4.813 4.790) 10.752 0.974 ( 0.091 0.052 -2.417) 2.419 1.061 ( 2.335 1.348 -5.140) 5.804 1.128 ( 6.488 3.746 4.698) 8.843 1.164 ( 0.815 0.471 -3.570) 3.692 1.202 ( -2.012 -1.161 -0.370) 2.352 1.244 ( 1.409 0.814 4.772) 5.042 1.307 ( -0.821 -0.474 2.862) 3.015 1.362 ( 0.311 0.179 -8.689) 8.696 1.436 ( -2.824 -1.631 -1.784) 3.717 1.478 ( 2.306 1.332 1.834) 3.234 1.499 ( 2.074 1.197 0.263) 2.409 1.565 ( -1.270 -0.733 -2.401) 2.813 1.641 ( -0.086 -0.050 0.758) 0.764 1.655 ( 3.766 2.174 -0.088) 4.350 1.760 ( 3.447 1.990 0.488) 4.010 1.776 ( -0.182 -0.105 -0.724) 0.754 1.810 ( -3.930 -2.269 -1.449) 4.763 1.835 ( -1.897 -1.095 -1.036) 2.423 2.000 ( -1.707 -0.986 3.967) 4.429 2.041 ( 0.462 0.267 -0.230) 0.581 2.080 ( -4.737 -2.735 -9.834) 11.253 2.177 ( -0.968 -0.559 0.463) 1.210 2.725 ( 1.644 0.949 -0.955) 2.125 2.794 ( -0.450 -0.260 -2.234) 2.294 2.814 ( 0.113 0.065 1.188) 1.195 2.833 ( 0.559 0.323 -0.561) 0.855 3.324 ( 0.021 0.012 0.896) 0.897 3.358 ( -1.210 -0.699 4.108) 4.339 3.615 ( 6.370 3.677 2.300) 7.706 3.616 ( 3.253 1.878 -0.700) 3.821 3.767 ( -2.092 -1.208 -5.099) 5.642 3.774 ( 2.474 1.429 -1.731) 3.341 3.868 ( -0.191 -0.111 0.233) 0.321 3.920 ( 1.271 0.734 -1.262) 1.935 4.021 ( 4.117 2.377 1.224) 4.909 4.056 ( -1.601 -0.924 -4.663) 5.016 4.136 ( -0.428 -0.247 0.629) 0.800 4.218 ( 2.984 1.723 1.590) 3.795 4.345 ( -2.521 -1.456 -1.148) 3.129 4.503 ( -5.469 -3.157 5.107) 8.121 5.156 ( 0.136 0.079 4.137) 4.140 5.228 ( 0.524 0.302 3.010) 3.070 5.412 ( 0.360 0.208 -2.511) 2.545 5.919 ( 5.761 3.326 -1.600) 6.842 6.044 ( -1.030 -0.595 -1.221) 1.704 6.321 ( 1.470 0.848 -3.953) 4.302 6.518 ( -0.458 -0.265 1.456) 1.549 6.957 ( 1.711 0.988 7.180) 7.447 7.289 ( 2.845 1.643 -6.898) 7.641 7.404 ( -0.053 -0.031 0.860) 0.863 7.708 ( 0.146 0.084 -1.375) 1.385 7.779 ( 1.158 0.669 2.901) 3.195 7.877 ( -3.760 -2.171 -0.736) 4.403 8.027 ( 0.768 0.443 -2.777) 2.915 8.144 ( 0.953 0.550 3.739) 3.897 8.405 ( -0.740 -0.427 -4.904) 4.978 8.652 ( -11.075 -6.394 -6.805) 14.486 8.817 ( -4.657 -2.688 15.408) 16.319 ======================= Grid point 82 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -5.007 -2.891 -1.316) 5.930 1.008 ( -4.243 -2.450 -3.225) 5.865 1.009 ( 3.749 2.165 4.604) 6.319 1.107 ( 4.253 2.456 3.572) 6.073 1.140 ( -0.218 -0.126 -2.445) 2.458 1.165 ( 0.897 0.518 -0.520) 1.159 1.251 ( 0.330 0.190 4.280) 4.297 1.278 ( -2.433 -1.405 -1.600) 3.233 1.294 ( -1.578 -0.911 -8.370) 8.566 1.333 ( 2.040 1.178 0.717) 2.462 1.423 ( 1.654 0.955 2.329) 3.012 1.497 ( -2.140 -1.236 -0.515) 2.524 1.517 ( 0.432 0.250 -0.253) 0.560 1.556 ( 1.838 1.061 1.986) 2.906 1.634 ( -1.051 -0.607 1.421) 1.869 1.720 ( 0.412 0.238 -0.828) 0.954 1.738 ( -0.057 -0.033 -2.770) 2.770 1.774 ( 0.811 0.468 -0.585) 1.104 1.778 ( -1.599 -0.923 -2.169) 2.848 1.862 ( 1.345 0.776 1.098) 1.902 1.985 ( -0.624 -0.360 3.451) 3.525 2.008 ( 3.354 1.937 -3.506) 5.224 2.058 ( 0.571 0.329 2.241) 2.336 2.158 ( -0.493 -0.285 -1.329) 1.446 2.746 ( 0.328 0.189 -1.928) 1.964 2.767 ( -0.507 -0.292 -3.391) 3.441 2.829 ( 0.403 0.233 2.198) 2.247 2.842 ( 0.333 0.192 -0.436) 0.581 3.327 ( -0.097 -0.056 1.438) 1.443 3.347 ( -0.933 -0.539 5.006) 5.120 3.653 ( 0.128 0.074 -0.597) 0.615 3.684 ( -3.815 -2.202 -3.425) 5.579 3.749 ( 4.287 2.475 1.330) 5.126 3.824 ( 1.515 0.875 1.865) 2.557 3.873 ( 0.482 0.278 1.457) 1.560 3.940 ( 0.580 0.335 -1.725) 1.851 4.007 ( -1.512 -0.873 -2.904) 3.388 4.113 ( 3.301 1.906 1.879) 4.250 4.124 ( -0.570 -0.329 -0.890) 1.107 4.282 ( 0.864 0.499 -2.354) 2.557 4.311 ( 0.464 0.268 2.702) 2.755 4.400 ( -3.605 -2.082 1.759) 4.519 5.133 ( -2.109 -1.217 -1.813) 3.036 5.227 ( -1.118 -0.645 0.454) 1.368 5.439 ( 1.605 0.926 2.418) 3.046 5.996 ( 1.005 0.580 0.602) 1.308 6.024 ( -0.094 -0.054 -1.874) 1.877 6.333 ( 0.528 0.305 -3.474) 3.527 6.531 ( 0.676 0.390 4.213) 4.284 6.972 ( -2.173 -1.255 4.519) 5.169 7.369 ( 4.720 2.725 -0.360) 5.462 7.380 ( -1.415 -0.817 -3.595) 3.949 7.722 ( 0.927 0.535 1.228) 1.629 7.729 ( -3.170 -1.830 -2.998) 4.731 7.855 ( 0.688 0.397 0.257) 0.835 8.030 ( 0.180 0.104 -5.305) 5.309 8.204 ( 1.476 0.852 7.317) 7.513 8.394 ( -3.886 -2.244 -7.519) 8.756 8.450 ( 2.295 1.325 -1.773) 3.188 8.777 ( -2.669 -1.541 8.353) 8.903 ======================= Grid point 83 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -7.889 -4.555 -0.418) 9.119 0.833 ( -9.009 -5.201 -2.447) 10.686 1.025 ( -9.351 -5.399 0.526) 10.811 1.080 ( -0.128 -0.074 1.322) 1.330 1.130 ( -2.303 -1.330 0.803) 2.778 1.186 ( -0.616 -0.355 -0.929) 1.170 1.199 ( -1.001 -0.578 -0.332) 1.202 1.244 ( -2.425 -1.400 1.597) 3.223 1.290 ( 4.095 2.364 1.265) 4.895 1.379 ( 1.007 0.582 -1.553) 1.940 1.414 ( -3.486 -2.013 -4.533) 6.063 1.484 ( 2.358 1.362 2.095) 3.436 1.525 ( -0.351 -0.203 0.066) 0.411 1.611 ( 0.543 0.313 -0.479) 0.789 1.638 ( 2.682 1.548 1.464) 3.426 1.657 ( -3.730 -2.153 0.295) 4.317 1.712 ( -0.953 -0.550 -4.124) 4.268 1.754 ( -0.132 -0.076 -2.779) 2.783 1.819 ( 2.172 1.254 -1.576) 2.963 1.922 ( 4.324 2.496 3.075) 5.863 1.995 ( 0.497 0.287 2.201) 2.275 2.080 ( 0.466 0.269 3.515) 3.556 2.139 ( 0.914 0.528 -2.360) 2.585 2.158 ( 6.106 3.526 0.150) 7.053 2.712 ( -1.991 -1.149 -1.548) 2.771 2.768 ( 0.793 0.458 -2.746) 2.894 2.842 ( -0.312 -0.180 -0.099) 0.373 2.843 ( 0.181 0.105 1.392) 1.407 3.328 ( -0.242 -0.140 1.212) 1.243 3.352 ( -0.044 -0.025 3.922) 3.922 3.569 ( -5.235 -3.022 -1.634) 6.261 3.624 ( -2.184 -1.261 -0.880) 2.671 3.816 ( 1.637 0.945 -0.559) 1.971 3.844 ( -0.485 -0.280 2.560) 2.620 3.900 ( 1.033 0.596 2.429) 2.706 3.924 ( -1.530 -0.883 -1.161) 2.114 3.960 ( -1.722 -0.994 -2.363) 3.088 4.106 ( -0.439 -0.253 -1.756) 1.828 4.189 ( 2.935 1.695 0.620) 3.446 4.230 ( -3.971 -2.293 0.315) 4.597 4.338 ( 3.087 1.782 -4.699) 5.898 4.420 ( 2.229 1.287 6.882) 7.348 5.070 ( -2.332 -1.346 -2.253) 3.510 5.184 ( -2.462 -1.421 -0.363) 2.866 5.480 ( 0.962 0.555 2.519) 2.753 5.963 ( -4.425 -2.555 2.207) 5.566 6.031 ( 1.244 0.718 -1.789) 2.294 6.325 ( 0.265 0.153 -4.280) 4.291 6.572 ( 1.264 0.730 5.450) 5.642 6.897 ( -5.156 -2.977 2.814) 6.585 7.326 ( -1.780 -1.028 -5.051) 5.453 7.466 ( 2.966 1.713 1.026) 3.575 7.671 ( -0.903 -0.521 -5.383) 5.483 7.750 ( 0.977 0.564 1.628) 1.981 7.898 ( 3.859 2.228 -0.791) 4.525 7.989 ( -2.296 -1.326 -4.053) 4.843 8.165 ( -3.371 -1.946 1.027) 4.026 8.442 ( 6.751 3.898 5.219) 9.381 8.573 ( 7.069 4.081 -1.152) 8.244 8.752 ( -1.026 -0.592 2.468) 2.737 ======================= Grid point 84 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -9.970 -5.756 -0.907) 11.548 0.591 ( -11.394 -6.578 -1.094) 13.202 0.739 ( -14.408 -8.318 5.283) 17.455 1.060 ( -2.657 -1.534 -3.062) 4.334 1.084 ( -0.318 -0.184 1.981) 2.015 1.151 ( -4.374 -2.525 -4.873) 7.018 1.170 ( -1.251 -0.722 2.716) 3.076 1.201 ( 0.441 0.255 0.629) 0.810 1.336 ( -2.238 -1.292 -0.510) 2.634 1.383 ( 3.086 1.782 1.618) 3.914 1.395 ( 0.661 0.382 -1.004) 1.261 1.496 ( -1.814 -1.047 -0.982) 2.314 1.513 ( -0.718 -0.415 -0.693) 1.081 1.601 ( -0.845 -0.488 1.923) 2.156 1.606 ( -1.232 -0.711 -2.427) 2.813 1.649 ( 1.161 0.670 -3.296) 3.558 1.752 ( 0.844 0.487 -2.182) 2.390 1.753 ( 2.599 1.500 0.390) 3.026 1.848 ( 0.751 0.433 -1.390) 1.638 2.021 ( 1.348 0.778 0.214) 1.572 2.031 ( 3.636 2.099 2.850) 5.075 2.099 ( 0.057 0.033 3.326) 3.327 2.116 ( -0.784 -0.453 -4.559) 4.648 2.317 ( 6.432 3.714 -0.720) 7.462 2.658 ( -2.235 -1.290 -0.336) 2.602 2.775 ( 0.353 0.204 -1.167) 1.236 2.825 ( -1.108 -0.640 0.151) 1.288 2.847 ( -0.014 -0.008 0.194) 0.194 3.320 ( -0.836 -0.483 0.076) 0.968 3.362 ( -0.187 -0.108 1.374) 1.391 3.446 ( -4.736 -2.734 -0.060) 5.469 3.562 ( -2.565 -1.481 -1.455) 3.300 3.823 ( -1.456 -0.840 -1.360) 2.162 3.836 ( 0.607 0.350 -1.072) 1.280 3.874 ( -2.174 -1.255 0.926) 2.676 3.914 ( -1.728 -0.998 -1.907) 2.761 3.922 ( 0.349 0.202 0.477) 0.625 4.097 ( 0.071 0.041 -1.013) 1.017 4.152 ( -2.231 -1.288 -0.626) 2.651 4.251 ( 2.681 1.548 -5.166) 6.022 4.409 ( 3.263 1.884 -0.004) 3.768 4.506 ( 3.084 1.780 9.229) 9.892 5.019 ( -1.766 -1.019 0.392) 2.076 5.119 ( -3.232 -1.866 1.144) 3.904 5.498 ( 0.204 0.118 0.424) 0.485 5.811 ( -8.977 -5.183 1.843) 10.528 6.065 ( 1.922 1.110 -1.140) 2.496 6.322 ( 0.932 0.538 -6.307) 6.398 6.617 ( 0.907 0.523 4.333) 4.457 6.777 ( -5.564 -3.213 3.161) 7.161 7.274 ( -1.206 -0.696 -3.433) 3.705 7.503 ( 1.153 0.666 -7.842) 7.954 7.631 ( -1.156 -0.668 -2.609) 2.931 7.773 ( 0.608 0.351 0.572) 0.905 7.914 ( -2.589 -1.495 -0.368) 3.012 8.027 ( 6.207 3.584 -3.750) 8.089 8.130 ( -0.329 -0.190 4.386) 4.403 8.624 ( 6.054 3.495 6.251) 9.377 8.705 ( 2.771 1.600 -3.944) 5.078 8.803 ( 6.499 3.752 9.762) 12.313 ======================= Grid point 87 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -0.000 10.873 9.288) 14.300 0.380 ( -0.000 9.046 14.701) 17.261 0.637 ( -0.000 11.342 24.127) 26.660 0.935 ( 0.000 2.258 -7.009) 7.364 0.956 ( 0.000 3.092 -9.237) 9.741 1.125 ( -0.000 -2.139 2.568) 3.342 1.189 ( -0.000 1.442 3.382) 3.676 1.238 ( -0.000 -0.146 3.715) 3.718 1.305 ( -0.000 0.290 -0.038) 0.293 1.352 ( 0.000 2.583 -1.529) 3.002 1.430 ( 0.000 0.137 -1.066) 1.075 1.437 ( 0.000 1.632 -1.595) 2.282 1.503 ( -0.000 -1.044 2.599) 2.801 1.540 ( 0.000 -4.343 -6.427) 7.757 1.598 ( 0.000 0.527 -0.847) 0.997 1.608 ( 0.000 -0.413 -2.471) 2.505 1.778 ( -0.000 -1.942 0.806) 2.102 1.801 ( -0.000 -0.799 0.585) 0.991 1.836 ( 0.000 -0.113 -1.496) 1.500 1.981 ( 0.000 3.643 -7.290) 8.150 2.027 ( 0.000 -0.690 -3.013) 3.091 2.112 ( -0.000 0.727 1.176) 1.383 2.117 ( -0.000 1.331 1.199) 1.791 2.358 ( 0.000 -4.647 -10.845) 11.799 2.641 ( -0.000 1.042 3.381) 3.538 2.782 ( -0.000 -0.512 0.788) 0.940 2.805 ( -0.000 1.301 0.754) 1.503 2.834 ( 0.000 0.208 -1.553) 1.566 3.280 ( -0.000 2.095 -0.079) 2.097 3.327 ( 0.000 2.971 -2.316) 3.767 3.367 ( 0.000 2.529 -1.034) 2.732 3.390 ( 0.000 5.500 -5.552) 7.815 3.755 ( 0.000 -2.259 -2.807) 3.603 3.820 ( 0.000 -0.370 -3.621) 3.640 3.874 ( -0.000 0.908 2.379) 2.547 3.884 ( -0.000 0.341 0.906) 0.968 3.898 ( 0.000 0.264 -1.911) 1.929 4.116 ( 0.000 -1.719 -2.162) 2.762 4.121 ( -0.000 -0.899 2.466) 2.625 4.194 ( -0.000 0.646 -0.149) 0.662 4.499 ( 0.000 -3.715 0.663) 3.774 4.797 ( -0.000 -9.911 10.520) 14.454 5.051 ( -0.000 0.533 7.413) 7.432 5.116 ( -0.000 3.794 8.721) 9.511 5.468 ( 0.000 0.388 -4.016) 4.034 5.579 ( 0.000 10.649 -4.121) 11.419 6.091 ( 0.000 -1.595 -1.231) 2.015 6.191 ( 0.000 2.147 -9.192) 9.440 6.637 ( 0.000 1.186 -1.076) 1.601 6.701 ( -0.000 7.364 -0.026) 7.364 7.279 ( -0.000 -1.244 4.444) 4.615 7.329 ( 0.000 0.324 -0.895) 0.951 7.642 ( 0.000 -5.189 -2.476) 5.750 7.760 ( 0.000 0.310 -3.044) 3.060 7.877 ( -0.000 1.460 0.903) 1.717 8.124 ( -0.000 -0.568 8.249) 8.269 8.213 ( 0.000 -3.703 -3.616) 5.176 8.587 ( 0.000 1.025 -11.356) 11.402 8.918 ( -0.000 -7.801 10.992) 13.478 9.253 ( -0.000 -11.013 14.490) 18.200 ======================= Grid point 88 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 5.468 10.055 9.351) 14.780 0.620 ( 7.800 9.004 8.490) 14.629 0.860 ( 4.115 8.589 16.888) 19.388 0.955 ( 1.564 3.614 -4.993) 6.359 0.979 ( 1.992 4.248 -8.170) 9.422 1.129 ( 1.648 -1.310 1.190) 2.418 1.216 ( 0.104 0.952 1.718) 1.967 1.245 ( 0.030 0.400 3.330) 3.354 1.321 ( 0.858 0.945 1.337) 1.849 1.390 ( 1.537 1.849 -0.668) 2.496 1.411 ( -3.268 1.089 -0.670) 3.509 1.437 ( 0.756 -1.535 -3.716) 4.091 1.492 ( 2.483 -1.187 -5.667) 6.300 1.527 ( 2.290 0.355 0.244) 2.331 1.573 ( -2.212 0.475 -1.782) 2.880 1.607 ( -0.179 0.708 -0.737) 1.038 1.763 ( 0.310 -2.579 0.860) 2.736 1.789 ( -0.450 -1.633 1.105) 2.023 1.832 ( 0.315 -1.016 -1.599) 1.920 1.951 ( -3.023 1.349 -4.386) 5.495 2.020 ( 0.310 0.216 -1.452) 1.500 2.079 ( -2.204 -0.272 1.751) 2.828 2.167 ( 1.547 -0.868 0.252) 1.791 2.243 ( -2.963 -4.022 -11.483) 12.523 2.673 ( 1.091 1.087 2.372) 2.828 2.779 ( 0.719 -1.516 -0.702) 1.819 2.814 ( -0.288 0.559 0.186) 0.656 2.834 ( -0.083 0.860 -0.927) 1.267 3.318 ( 1.074 1.377 -0.003) 1.746 3.359 ( 1.040 2.020 0.185) 2.279 3.422 ( 2.954 4.815 0.504) 5.671 3.467 ( 3.693 5.214 -3.514) 7.292 3.733 ( -0.392 1.654 -3.042) 3.485 3.803 ( -0.090 -0.409 -4.564) 4.583 3.883 ( -0.699 0.107 -0.808) 1.074 3.899 ( 1.290 0.734 0.898) 1.735 3.906 ( 0.636 1.605 1.288) 2.154 4.083 ( -0.297 -2.101 -3.948) 4.482 4.135 ( 1.563 -0.557 1.744) 2.407 4.192 ( -1.704 1.615 2.613) 3.513 4.432 ( -2.434 -3.682 -1.576) 4.687 4.692 ( -5.065 -6.101 8.119) 11.349 5.105 ( 2.238 0.201 7.811) 8.128 5.185 ( 0.924 1.535 7.377) 7.592 5.469 ( -0.584 2.679 -5.529) 6.172 5.685 ( 2.889 9.525 -2.695) 10.312 6.081 ( 0.095 -0.903 -0.518) 1.045 6.212 ( 3.794 -0.645 -7.585) 8.505 6.606 ( -3.385 3.170 -0.907) 4.726 6.831 ( 4.183 4.778 5.000) 8.083 7.258 ( -1.036 -0.533 -2.374) 2.645 7.367 ( 2.828 -0.505 4.411) 5.263 7.615 ( 2.647 -3.760 -3.019) 5.501 7.758 ( 0.533 1.648 -2.541) 3.076 7.905 ( 1.061 1.624 -0.085) 1.942 8.126 ( -3.461 -5.153 -1.831) 6.472 8.146 ( -0.440 0.145 7.009) 7.025 8.511 ( -4.023 -0.034 -11.413) 12.102 8.862 ( -2.353 -6.417 7.577) 10.204 9.104 ( -7.546 -12.035 11.190) 18.083 ======================= Grid point 89 (31/65) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 7.497 7.625 6.819) 12.682 0.862 ( 7.462 7.804 5.686) 12.203 0.971 ( 1.367 2.781 -1.787) 3.577 1.036 ( 1.830 4.997 -5.618) 7.738 1.091 ( 5.141 5.959 6.808) 10.407 1.148 ( 0.431 -0.290 -1.506) 1.593 1.207 ( -0.434 -1.209 1.290) 1.821 1.285 ( 0.633 3.057 1.502) 3.464 1.309 ( -1.771 -1.878 -3.354) 4.233 1.373 ( -1.890 2.373 -0.171) 3.039 1.417 ( 0.119 -2.212 -1.841) 2.880 1.444 ( 3.543 0.649 1.444) 3.881 1.518 ( -1.509 1.884 -0.243) 2.426 1.549 ( 1.614 -0.802 -0.518) 1.876 1.604 ( 4.537 2.139 -2.055) 5.421 1.617 ( 1.736 1.094 0.198) 2.062 1.739 ( -0.344 -3.296 2.614) 4.220 1.757 ( -0.839 -2.521 -0.188) 2.664 1.809 ( -0.551 -2.226 -1.485) 2.732 1.885 ( -3.569 -0.611 -1.939) 4.108 2.033 ( 0.480 0.492 1.869) 1.992 2.044 ( -1.995 -0.361 1.732) 2.666 2.090 ( -3.782 -2.784 -11.466) 12.390 2.179 ( -0.361 -1.395 -0.459) 1.513 2.710 ( 1.217 1.189 0.092) 1.704 2.771 ( 0.835 -1.846 -2.086) 2.908 2.816 ( 0.006 0.261 0.763) 0.806 2.838 ( -0.170 0.933 -0.769) 1.221 3.339 ( -0.216 1.510 0.501) 1.606 3.387 ( -0.462 0.917 3.565) 3.709 3.554 ( 5.701 4.563 1.687) 7.495 3.572 ( 3.858 2.906 -0.604) 4.867 3.758 ( 1.195 3.150 -1.714) 3.780 3.773 ( -1.146 -0.243 -4.664) 4.809 3.870 ( -0.399 -0.148 -0.493) 0.651 3.922 ( 0.275 1.710 -0.452) 1.790 3.969 ( 3.899 1.324 1.689) 4.450 4.042 ( -0.916 -1.297 -3.472) 3.818 4.171 ( 0.866 0.564 1.868) 2.135 4.193 ( -0.138 1.703 2.349) 2.905 4.352 ( -1.737 -3.288 -2.180) 4.311 4.569 ( -5.138 -5.212 3.757) 8.227 5.164 ( 1.241 -0.541 5.710) 5.868 5.217 ( 0.310 -0.950 3.633) 3.768 5.470 ( -2.099 6.455 -3.614) 7.690 5.832 ( 6.205 3.872 -1.371) 7.441 6.067 ( -1.478 0.813 -0.389) 1.731 6.242 ( 3.821 -2.065 -5.155) 6.741 6.591 ( -2.945 4.785 0.813) 5.677 6.944 ( 2.735 0.662 7.501) 8.012 7.250 ( 1.281 0.998 -2.015) 2.588 7.411 ( 0.589 0.375 1.762) 1.895 7.621 ( 3.583 -4.374 -1.445) 5.836 7.804 ( 2.292 3.541 -1.686) 4.542 7.920 ( -2.482 0.602 -2.208) 3.375 8.008 ( -1.621 -2.924 -4.501) 5.607 8.165 ( -0.621 -0.213 9.270) 9.293 8.407 ( -2.674 -0.415 -7.993) 8.438 8.707 ( -7.228 -7.990 -10.768) 15.232 8.924 ( -6.226 -7.835 19.266) 21.710 ======================= Grid point 90 (32/65) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.270 2.025 2.007) 2.864 1.000 ( 0.937 2.849 4.344) 5.279 1.054 ( 1.711 6.301 0.304) 6.537 1.078 ( 1.793 2.731 -1.755) 3.709 1.144 ( 0.816 2.483 -2.229) 3.435 1.171 ( -1.979 -0.777 -0.749) 2.254 1.227 ( 4.065 1.069 -3.508) 5.475 1.269 ( 0.460 0.181 2.213) 2.267 1.324 ( -3.692 0.770 -1.169) 3.949 1.345 ( 0.140 1.546 -0.299) 1.581 1.416 ( 1.094 1.684 2.156) 2.946 1.510 ( -0.812 -2.652 -0.142) 2.777 1.520 ( -0.491 1.638 0.156) 1.717 1.540 ( 2.062 1.252 0.957) 2.595 1.638 ( -1.378 -2.268 3.477) 4.374 1.681 ( 4.127 0.820 -1.201) 4.375 1.707 ( -0.737 -4.026 -2.568) 4.831 1.756 ( 1.604 -2.380 -0.431) 2.902 1.772 ( -0.053 -1.766 -0.907) 1.986 1.839 ( 1.409 0.414 0.863) 1.704 1.980 ( -1.218 -0.063 -7.145) 7.248 2.018 ( -1.686 0.134 2.945) 3.396 2.061 ( 0.528 0.544 2.250) 2.374 2.153 ( -0.438 -1.320 -1.614) 2.131 2.736 ( 0.773 1.427 -2.313) 2.826 2.756 ( 0.107 -1.210 -2.364) 2.658 2.824 ( 0.393 -0.370 1.350) 1.453 2.843 ( 0.138 0.787 -0.302) 0.854 3.346 ( -0.765 0.980 1.158) 1.699 3.390 ( -1.673 0.543 5.511) 5.785 3.634 ( 1.583 0.267 -0.635) 1.726 3.696 ( 5.123 2.828 0.901) 5.920 3.720 ( -2.828 -0.388 -2.816) 4.010 3.814 ( 1.742 2.227 0.384) 2.853 3.869 ( 0.469 0.218 -0.064) 0.522 3.944 ( 0.532 1.604 -0.733) 1.843 4.000 ( -1.109 -1.124 -2.408) 2.880 4.061 ( 4.058 0.868 1.498) 4.412 4.166 ( -2.485 2.228 -0.308) 3.352 4.247 ( 2.846 0.470 0.353) 2.907 4.307 ( 0.367 -1.763 1.213) 2.172 4.440 ( -4.564 -4.806 0.276) 6.633 5.156 ( -2.086 -0.838 -0.158) 2.253 5.216 ( 0.467 -2.330 1.737) 2.943 5.506 ( -2.029 8.170 0.929) 8.469 5.939 ( 4.427 -1.057 -0.514) 4.580 6.050 ( -1.698 2.020 -0.478) 2.682 6.266 ( 3.350 -2.688 -3.574) 5.587 6.601 ( -2.595 5.517 2.580) 6.620 6.978 ( 0.247 -3.850 6.402) 7.475 7.317 ( 4.230 2.685 1.235) 5.160 7.402 ( -1.926 1.037 -2.793) 3.547 7.637 ( 3.036 -4.403 0.295) 5.357 7.809 ( -3.560 -0.813 -7.454) 8.301 7.873 ( -1.075 5.127 -0.459) 5.258 7.997 ( 1.416 -0.006 -5.187) 5.377 8.195 ( 1.752 -1.476 9.378) 9.653 8.387 ( 2.239 1.254 -3.335) 4.208 8.458 ( -7.329 -5.502 -8.928) 12.794 8.833 ( -3.873 -5.588 12.595) 14.313 ======================= Grid point 91 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -8.053 -2.063 1.647) 8.475 0.965 ( -9.424 0.227 -1.833) 9.603 1.073 ( 0.931 2.213 1.141) 2.658 1.126 ( -2.988 0.123 0.233) 2.999 1.170 ( -0.239 1.463 0.432) 1.544 1.196 ( -1.199 -0.748 -1.419) 2.003 1.224 ( -4.318 -0.740 -1.576) 4.656 1.258 ( 3.505 2.668 0.300) 4.415 1.306 ( -3.280 2.525 0.502) 4.170 1.351 ( 1.497 0.314 -0.591) 1.640 1.432 ( -2.333 -2.931 -0.015) 3.746 1.475 ( 1.094 1.925 1.717) 2.802 1.534 ( -0.527 0.962 0.743) 1.324 1.589 ( 0.951 -0.588 -1.456) 1.836 1.604 ( 2.142 -1.279 3.189) 4.049 1.661 ( 0.607 -3.310 -4.115) 5.316 1.694 ( -2.181 -2.574 -0.184) 3.378 1.754 ( 0.109 -0.318 -3.433) 3.449 1.785 ( 4.190 1.854 -1.541) 4.834 1.870 ( 2.586 0.087 -0.919) 2.746 2.012 ( -0.680 0.813 2.419) 2.641 2.056 ( 5.777 1.347 1.484) 6.114 2.078 ( 2.195 -0.314 1.911) 2.928 2.136 ( 0.003 0.085 -1.868) 1.870 2.729 ( -1.352 -0.411 -1.474) 2.042 2.755 ( 0.702 1.525 -3.319) 3.719 2.828 ( 0.407 -0.904 0.890) 1.332 2.854 ( 0.129 0.539 0.199) 0.589 3.343 ( -0.617 0.257 1.534) 1.673 3.382 ( -1.651 0.003 4.708) 4.989 3.622 ( -2.926 -1.013 -1.872) 3.619 3.646 ( -2.829 -0.901 -0.881) 3.097 3.787 ( 2.709 1.005 -0.248) 2.900 3.850 ( 0.552 0.350 0.754) 0.997 3.887 ( 0.787 0.457 0.279) 0.951 3.950 ( -0.446 -1.431 -0.284) 1.526 3.972 ( -1.311 2.276 -2.454) 3.595 4.123 ( -0.067 0.341 0.729) 0.807 4.145 ( 1.109 0.798 -1.960) 2.389 4.274 ( -3.669 -2.375 -0.514) 4.401 4.293 ( 2.289 0.861 -2.348) 3.390 4.393 ( 3.141 -1.537 5.706) 6.692 5.103 ( -2.766 -0.127 -1.231) 3.030 5.194 ( -0.823 -2.181 0.834) 2.476 5.548 ( -2.811 6.839 1.722) 7.592 5.953 ( 0.735 -4.227 -0.309) 4.301 6.049 ( -0.985 2.001 0.223) 2.242 6.277 ( 2.209 -1.980 -3.724) 4.761 6.625 ( -1.879 4.631 3.577) 6.146 6.929 ( -2.106 -6.040 4.611) 7.885 7.358 ( -3.202 1.696 -3.451) 5.004 7.423 ( 3.815 1.760 -0.115) 4.203 7.627 ( 1.300 -2.400 -4.051) 4.885 7.774 ( 0.694 1.831 -2.162) 2.917 7.873 ( -1.406 2.684 -3.458) 4.597 7.994 ( -0.509 0.133 -3.637) 3.675 8.202 ( -2.398 -3.370 1.490) 4.396 8.379 ( 4.463 1.378 4.572) 6.537 8.488 ( 6.627 1.944 1.975) 7.183 8.762 ( -1.952 -4.255 4.475) 6.476 ======================= Grid point 92 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -10.183 -1.829 1.545) 10.461 0.770 ( -12.402 -0.214 0.219) 12.405 0.946 ( -13.503 -3.377 5.063) 14.811 1.075 ( -1.669 -0.860 -1.974) 2.725 1.125 ( -2.992 1.288 -1.742) 3.694 1.166 ( -2.413 -1.633 -1.874) 3.464 1.197 ( 0.301 -0.026 0.719) 0.780 1.240 ( -4.368 1.646 -1.495) 4.901 1.350 ( 0.523 0.786 -0.812) 1.245 1.370 ( 0.995 1.097 0.754) 1.662 1.388 ( 0.448 -0.024 2.594) 2.632 1.481 ( -1.129 -1.736 -0.650) 2.171 1.547 ( -0.373 2.355 0.355) 2.411 1.582 ( 0.739 -2.823 -2.300) 3.716 1.614 ( -0.012 -0.733 -1.819) 1.961 1.630 ( -0.991 -0.314 -1.927) 2.190 1.706 ( 3.903 0.422 0.559) 3.966 1.742 ( 0.263 0.844 -2.015) 2.201 1.839 ( 1.196 1.593 -2.850) 3.477 1.950 ( 5.112 -0.859 0.482) 5.206 2.029 ( 0.814 1.691 0.325) 1.905 2.067 ( 1.165 -2.573 -0.833) 2.945 2.136 ( -0.384 0.985 0.412) 1.134 2.216 ( 7.428 1.167 -0.345) 7.527 2.691 ( -2.306 -0.037 -0.269) 2.322 2.771 ( 0.488 1.514 -2.244) 2.750 2.825 ( 0.041 -1.033 0.341) 1.089 2.855 ( -0.461 0.152 -0.130) 0.503 3.340 ( -0.884 0.397 0.733) 1.215 3.367 ( -0.611 -1.293 2.636) 2.999 3.520 ( -5.924 -0.982 -0.133) 6.006 3.593 ( -2.777 -0.678 -1.642) 3.297 3.820 ( 0.919 0.155 -1.684) 1.925 3.838 ( -1.317 -0.782 -1.514) 2.154 3.897 ( -0.073 0.181 -0.009) 0.195 3.915 ( -1.762 -1.130 0.467) 2.145 3.959 ( -2.192 1.722 -2.286) 3.605 4.099 ( -1.031 0.032 -0.079) 1.035 4.173 ( -0.723 -0.875 -5.198) 5.320 4.197 ( 0.822 0.059 -1.866) 2.040 4.364 ( 3.879 1.377 -0.069) 4.117 4.473 ( 4.403 -1.287 8.727) 9.859 5.059 ( -2.526 0.631 1.388) 2.950 5.155 ( -2.069 -1.271 2.088) 3.203 5.552 ( -3.043 3.774 -0.655) 4.892 5.874 ( -4.432 -5.598 0.042) 7.140 6.057 ( 0.153 1.581 0.086) 1.591 6.284 ( 1.490 0.313 -5.153) 5.373 6.643 ( -1.221 1.544 2.443) 3.138 6.835 ( -3.788 -4.580 4.742) 7.603 7.312 ( -3.125 2.149 -1.332) 4.019 7.453 ( 1.098 0.038 -10.482) 10.539 7.622 ( 0.595 -0.081 -3.022) 3.081 7.794 ( -1.396 1.928 0.268) 2.395 7.925 ( 6.426 0.923 -1.844) 6.749 7.955 ( -2.726 0.496 -0.316) 2.789 8.149 ( -1.150 -1.045 2.507) 2.950 8.535 ( 7.864 -0.037 3.655) 8.672 8.650 ( 6.390 2.294 4.845) 8.340 8.743 ( 4.107 -1.525 5.708) 7.196 ======================= Grid point 96 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -0.000 10.202 6.699) 12.205 0.667 ( -0.000 9.675 12.180) 15.555 0.950 ( 0.000 4.740 -2.603) 5.408 0.972 ( 0.000 5.539 -5.198) 7.596 0.997 ( -0.000 8.184 8.339) 11.684 1.110 ( -0.000 -0.183 1.348) 1.360 1.220 ( -0.000 -0.414 1.487) 1.544 1.243 ( -0.000 -1.014 1.700) 1.980 1.326 ( 0.000 -0.080 -2.038) 2.039 1.399 ( -0.000 0.951 -0.098) 0.956 1.409 ( 0.000 -2.355 0.259) 2.370 1.438 ( 0.000 1.977 -0.939) 2.189 1.478 ( 0.000 2.996 -1.646) 3.418 1.487 ( 0.000 -0.604 -1.372) 1.500 1.599 ( 0.000 0.208 -0.672) 0.704 1.616 ( -0.000 1.711 -0.423) 1.762 1.739 ( -0.000 -2.074 1.104) 2.350 1.771 ( -0.000 -2.774 0.874) 2.908 1.824 ( 0.000 -0.513 -0.567) 0.764 1.965 ( 0.000 -0.825 -5.319) 5.382 2.016 ( 0.000 0.668 -0.484) 0.825 2.102 ( -0.000 -2.733 1.753) 3.247 2.144 ( -0.000 0.781 0.244) 0.819 2.187 ( 0.000 -3.647 -11.511) 12.075 2.681 ( -0.000 0.755 2.413) 2.528 2.748 ( 0.000 -2.323 -1.331) 2.677 2.824 ( -0.000 0.275 0.055) 0.281 2.839 ( 0.000 0.889 -0.661) 1.108 3.323 ( -0.000 2.020 0.301) 2.042 3.377 ( -0.000 3.302 0.107) 3.304 3.455 ( -0.000 5.954 0.929) 6.026 3.485 ( -0.000 6.010 -0.784) 6.061 3.751 ( 0.000 2.726 -2.474) 3.681 3.783 ( 0.000 -0.395 -4.248) 4.266 3.893 ( 0.000 0.411 -1.410) 1.469 3.895 ( -0.000 0.162 1.897) 1.904 3.916 ( -0.000 1.118 1.000) 1.500 4.066 ( 0.000 0.744 -4.249) 4.314 4.117 ( -0.000 -1.207 2.250) 2.553 4.230 ( -0.000 0.668 5.034) 5.078 4.405 ( 0.000 -4.428 -3.537) 5.668 4.694 ( -0.000 -7.217 4.728) 8.627 5.106 ( -0.000 -0.422 6.864) 6.877 5.221 ( -0.000 1.229 6.725) 6.837 5.455 ( 0.000 1.364 -4.254) 4.467 5.796 ( -0.000 12.292 -3.554) 12.796 6.044 ( 0.000 -2.219 -0.814) 2.364 6.165 ( 0.000 1.148 -4.660) 4.799 6.649 ( 0.000 0.906 -1.724) 1.947 6.886 ( -0.000 8.969 4.608) 10.083 7.285 ( -0.000 -1.349 4.511) 4.709 7.312 ( -0.000 -2.217 3.935) 4.517 7.556 ( 0.000 -1.525 -4.368) 4.626 7.747 ( 0.000 0.488 -2.785) 2.827 7.905 ( 0.000 0.943 -1.111) 1.458 8.090 ( 0.000 -3.804 -7.315) 8.245 8.186 ( -0.000 -0.798 13.087) 13.111 8.508 ( 0.000 -0.559 -11.927) 11.940 8.822 ( 0.000 -8.256 -2.082) 8.515 9.082 ( -0.000 -12.886 14.622) 19.490 ======================= Grid point 97 (36/65) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 3.551 8.868 6.894) 11.780 0.849 ( 5.227 7.805 7.835) 12.232 0.970 ( 0.875 3.531 -4.803) 6.026 1.045 ( 2.339 6.714 -4.793) 8.575 1.117 ( 1.545 5.189 6.611) 8.545 1.132 ( 1.386 0.818 0.701) 1.756 1.214 ( -0.872 -1.692 1.467) 2.403 1.249 ( 1.268 -1.179 -1.187) 2.099 1.303 ( 1.238 -0.770 -3.452) 3.747 1.384 ( 0.698 -2.894 1.603) 3.381 1.434 ( -1.639 3.222 0.313) 3.629 1.467 ( -2.222 2.965 0.735) 3.777 1.480 ( 4.241 0.994 3.497) 5.586 1.536 ( 3.073 1.522 -2.224) 4.087 1.586 ( -1.469 1.053 0.395) 1.850 1.622 ( -0.959 1.289 -0.235) 1.623 1.722 ( -0.464 -2.029 1.026) 2.320 1.744 ( -0.226 -3.321 1.234) 3.550 1.803 ( -1.304 -1.532 0.043) 2.012 1.906 ( -2.128 -3.337 -4.174) 5.752 2.031 ( 0.724 0.812 0.456) 1.179 2.066 ( -1.082 -1.980 -3.420) 4.097 2.092 ( -2.715 -1.425 -3.948) 4.999 2.162 ( 0.502 -0.815 -1.455) 1.742 2.703 ( 0.968 0.556 1.280) 1.699 2.727 ( 0.782 -2.121 -1.371) 2.644 2.822 ( -0.220 0.071 0.120) 0.261 2.846 ( -0.041 0.818 -0.688) 1.070 3.352 ( 0.679 1.732 0.125) 1.865 3.418 ( 0.221 2.829 2.156) 3.564 3.539 ( 2.356 5.278 1.892) 6.082 3.558 ( 1.681 4.398 0.967) 4.807 3.764 ( 0.051 0.332 -3.315) 3.332 3.774 ( 0.258 2.441 -2.313) 3.372 3.880 ( -0.963 0.354 -0.935) 1.388 3.919 ( 1.322 0.522 0.088) 1.424 3.933 ( 1.251 -0.343 1.671) 2.115 4.064 ( -1.342 3.421 -2.817) 4.630 4.133 ( 2.264 -0.931 2.075) 3.209 4.246 ( -0.814 0.631 5.335) 5.434 4.332 ( -1.626 -3.463 -4.566) 5.957 4.597 ( -3.691 -6.492 0.976) 7.531 5.140 ( 1.960 -1.474 5.246) 5.791 5.238 ( -1.140 -0.099 3.890) 4.055 5.496 ( 3.502 3.416 -3.813) 6.203 5.852 ( -2.646 7.602 -1.695) 8.226 6.070 ( 3.144 -0.330 0.344) 3.179 6.165 ( 0.380 0.408 -3.425) 3.470 6.655 ( 0.235 2.160 -1.377) 2.573 6.976 ( -1.008 5.169 5.569) 7.665 7.254 ( -0.932 -0.381 4.221) 4.340 7.375 ( 4.259 -1.860 5.147) 6.935 7.536 ( 1.055 -1.734 -3.619) 4.150 7.769 ( 2.703 1.438 -3.151) 4.394 7.920 ( 1.619 0.586 -2.362) 2.923 8.004 ( -2.927 -3.330 -6.023) 7.478 8.218 ( -1.033 0.166 11.108) 11.157 8.425 ( -3.318 -1.522 -9.291) 9.983 8.680 ( -3.661 -7.141 -13.967) 16.109 8.988 ( -3.690 -10.231 18.737) 21.665 ======================= Grid point 98 (37/65) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 3.704 6.288 4.644) 8.651 1.030 ( 2.751 3.887 -0.445) 4.783 1.043 ( 6.195 6.507 4.377) 9.994 1.110 ( -1.963 2.847 -2.622) 4.340 1.145 ( 0.242 1.773 -0.888) 1.997 1.167 ( 0.840 -2.832 -1.659) 3.388 1.193 ( 0.934 0.350 0.851) 1.311 1.256 ( 0.184 0.785 -0.239) 0.841 1.335 ( 1.804 -0.525 0.580) 1.966 1.381 ( 0.646 0.777 -0.674) 1.214 1.454 ( -1.230 3.179 2.048) 3.977 1.478 ( 1.353 2.715 1.141) 3.241 1.538 ( 0.034 0.603 -0.544) 0.813 1.551 ( -0.880 0.747 -1.152) 1.631 1.623 ( 1.221 0.667 -0.133) 1.398 1.648 ( 2.936 -0.201 1.479) 3.293 1.690 ( -0.162 -2.515 2.400) 3.480 1.692 ( -2.181 -3.508 2.685) 4.927 1.755 ( -1.107 -3.071 -0.656) 3.330 1.821 ( -0.908 -3.611 -2.091) 4.271 1.989 ( -2.467 0.321 -7.791) 8.179 2.053 ( -0.520 0.315 0.497) 0.786 2.064 ( 0.058 -0.233 3.526) 3.534 2.142 ( -0.655 -1.127 -1.963) 2.356 2.724 ( 1.194 -1.160 -0.942) 1.912 2.729 ( 0.964 0.921 -0.659) 1.487 2.821 ( -0.009 -0.235 0.732) 0.768 2.849 ( -0.098 0.729 -0.645) 0.979 3.370 ( -0.409 1.044 -0.153) 1.132 3.442 ( -1.112 1.229 3.790) 4.137 3.612 ( 1.609 1.177 0.240) 2.008 3.650 ( 3.692 3.382 1.731) 5.297 3.745 ( -1.142 0.069 -2.867) 3.087 3.812 ( 1.124 2.513 -0.754) 2.855 3.870 ( -0.350 0.610 -0.195) 0.730 3.929 ( 0.840 -0.971 0.727) 1.475 3.979 ( 2.938 -0.525 0.417) 3.013 4.063 ( -1.836 3.904 -1.855) 4.696 4.184 ( 3.121 -0.315 1.720) 3.577 4.251 ( -2.425 2.172 1.723) 3.684 4.274 ( 0.829 -2.520 -0.954) 2.819 4.463 ( -4.437 -5.468 -1.676) 7.238 5.164 ( 0.967 -1.669 2.177) 2.909 5.208 ( -1.991 -1.207 0.853) 2.480 5.603 ( 2.864 7.500 -1.039) 8.095 5.869 ( 0.266 0.237 -0.267) 0.445 6.106 ( -1.073 2.368 1.824) 3.176 6.167 ( 2.799 -2.085 -3.664) 5.060 6.689 ( 0.194 4.081 -0.371) 4.102 6.975 ( -2.796 -2.199 5.115) 6.230 7.293 ( 2.437 1.706 5.599) 6.340 7.423 ( 0.875 0.822 -0.929) 1.518 7.540 ( 3.003 -3.631 1.105) 4.840 7.804 ( -0.390 1.401 -11.730) 11.819 7.925 ( 0.173 0.282 1.035) 1.086 7.960 ( 2.131 1.459 -2.986) 3.948 8.210 ( -3.309 -1.711 5.474) 6.621 8.348 ( 0.514 -1.980 -1.430) 2.496 8.500 ( -5.702 -1.809 -11.854) 13.278 8.883 ( -4.315 -8.167 12.891) 15.859 ======================= Grid point 99 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -7.475 -0.231 3.214) 8.140 1.085 ( 1.220 2.920 0.650) 3.230 1.111 ( -3.323 2.814 -0.650) 4.403 1.146 ( 1.942 -3.102 -3.228) 4.880 1.156 ( -0.797 0.252 0.019) 0.836 1.190 ( 0.806 5.393 -0.316) 5.462 1.219 ( 2.900 2.131 0.618) 3.651 1.284 ( 4.296 -1.352 -0.431) 4.524 1.320 ( -3.731 1.055 0.341) 3.893 1.408 ( -1.307 2.862 1.725) 3.588 1.442 ( -2.723 -2.648 1.039) 3.937 1.498 ( -0.573 1.827 0.674) 2.030 1.555 ( 0.040 0.352 0.325) 0.481 1.573 ( -0.618 0.634 -0.861) 1.236 1.593 ( -1.165 -0.199 0.766) 1.408 1.614 ( -0.207 -2.986 0.405) 3.020 1.677 ( 0.574 -4.890 -0.328) 4.934 1.687 ( 4.755 0.679 -0.979) 4.902 1.738 ( 0.739 -0.779 -0.637) 1.248 1.830 ( 2.171 0.142 -2.752) 3.508 1.982 ( 3.206 1.528 0.310) 3.565 2.040 ( -0.965 -0.263 1.448) 1.759 2.064 ( -0.694 -0.926 0.055) 1.158 2.127 ( 0.521 0.076 -0.619) 0.813 2.733 ( 0.389 0.099 -0.105) 0.415 2.749 ( 0.665 1.539 -2.553) 3.054 2.819 ( -0.016 -0.720 0.825) 1.096 2.855 ( 0.192 0.368 -0.065) 0.420 3.360 ( -0.910 -0.181 0.215) 0.953 3.428 ( -2.101 -0.718 2.951) 3.693 3.634 ( 0.054 0.469 -0.279) 0.548 3.699 ( -3.190 0.428 -1.449) 3.530 3.742 ( 3.436 0.560 0.653) 3.542 3.840 ( 0.761 0.321 -0.823) 1.166 3.884 ( 0.685 1.426 0.469) 1.651 3.931 ( 0.234 -1.664 0.117) 1.685 4.006 ( 0.222 2.461 -3.651) 4.408 4.083 ( 1.518 -0.128 2.409) 2.850 4.198 ( -2.783 1.764 -1.037) 3.454 4.254 ( 2.074 -0.504 -0.050) 2.135 4.299 ( 0.396 0.068 1.468) 1.522 4.344 ( -1.057 -3.728 -0.232) 3.882 5.146 ( -2.265 0.318 -0.378) 2.318 5.180 ( 0.320 -1.933 1.036) 2.216 5.692 ( -3.505 8.487 0.792) 9.216 5.866 ( 3.398 -5.406 -0.774) 6.432 6.097 ( -2.265 1.513 0.882) 2.863 6.200 ( 3.474 -0.973 -2.058) 4.154 6.728 ( -1.984 5.754 0.254) 6.092 6.895 ( -1.460 -7.741 3.642) 8.679 7.381 ( 2.899 0.774 3.426) 4.554 7.429 ( -1.957 3.680 -1.093) 4.309 7.556 ( 2.686 -3.135 -1.906) 4.547 7.746 ( -0.066 0.776 -8.203) 8.240 7.974 ( -4.468 5.148 -3.370) 7.604 7.982 ( 2.064 1.654 0.309) 2.662 8.153 ( 2.147 -6.259 2.242) 6.987 8.387 ( -1.077 -0.074 2.795) 2.996 8.407 ( 3.185 2.201 -1.067) 4.016 8.772 ( -3.359 -6.111 4.535) 8.318 ======================= Grid point 100 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -9.037 0.236 4.360) 10.037 0.982 ( -10.558 1.231 1.273) 10.705 1.078 ( -1.153 -1.906 -3.587) 4.223 1.141 ( -5.251 0.206 2.062) 5.645 1.167 ( -1.423 0.841 -0.379) 1.696 1.192 ( -1.953 -0.543 -0.235) 2.040 1.202 ( -3.133 1.404 -2.917) 4.505 1.297 ( 2.373 -1.462 -1.781) 3.308 1.340 ( -3.487 -1.171 -1.222) 3.876 1.371 ( 0.199 3.426 3.344) 4.791 1.404 ( -0.297 -0.512 2.478) 2.547 1.497 ( -1.738 -0.940 -1.706) 2.611 1.531 ( 1.555 -1.995 0.973) 2.710 1.553 ( 0.353 -0.396 -1.794) 1.871 1.621 ( 0.552 3.647 1.405) 3.947 1.641 ( 0.543 -2.052 0.260) 2.139 1.645 ( 1.050 1.156 0.560) 1.659 1.742 ( 0.267 1.724 -2.399) 2.966 1.797 ( 4.816 1.238 -4.658) 6.813 1.851 ( 3.267 -1.074 -0.782) 3.526 2.021 ( 0.155 -2.088 -0.747) 2.223 2.045 ( -0.329 0.343 0.521) 0.705 2.092 ( 6.315 -0.262 0.187) 6.323 2.143 ( 0.896 0.424 0.518) 1.118 2.730 ( -1.514 0.851 0.422) 1.787 2.769 ( 0.759 1.927 -2.902) 3.565 2.814 ( 0.141 -1.047 0.763) 1.303 2.858 ( -0.026 -0.115 -0.248) 0.274 3.347 ( -0.087 -0.871 1.284) 1.554 3.383 ( -2.043 -2.071 1.236) 3.161 3.620 ( -3.842 1.598 -0.288) 4.171 3.630 ( -3.313 0.016 0.201) 3.319 3.791 ( 2.130 -0.084 -1.144) 2.420 3.837 ( -0.345 -1.191 -1.835) 2.215 3.896 ( -0.534 -0.330 -1.230) 1.381 3.930 ( 0.479 1.017 1.338) 1.748 4.006 ( -2.040 1.790 -2.800) 3.899 4.099 ( 0.995 -2.345 -1.973) 3.222 4.160 ( -2.009 1.401 0.268) 2.464 4.226 ( -2.972 -0.109 -2.128) 3.657 4.310 ( 3.007 1.077 -1.676) 3.607 4.401 ( 4.993 -1.888 7.008) 8.809 5.116 ( -2.138 1.068 1.693) 2.929 5.174 ( -0.198 -0.365 1.527) 1.582 5.638 ( -5.394 -1.439 -1.554) 5.795 5.880 ( 0.223 0.422 -0.434) 0.645 6.076 ( -1.048 -0.221 0.807) 1.341 6.246 ( 2.362 1.621 -2.573) 3.851 6.698 ( -4.314 -1.530 -0.261) 4.585 6.848 ( 0.392 -1.745 4.492) 4.835 7.397 ( -3.256 1.909 1.505) 4.064 7.406 ( -0.393 -0.090 -8.231) 8.241 7.587 ( 2.837 1.378 -3.475) 4.693 7.791 ( 5.025 -0.019 3.026) 5.866 7.899 ( -4.994 1.319 -2.393) 5.692 8.006 ( -1.429 2.007 0.105) 2.466 8.152 ( 0.645 -1.889 -0.302) 2.019 8.420 ( 4.548 -0.115 1.741) 4.871 8.550 ( 8.710 0.074 7.951) 11.793 8.699 ( -0.147 -2.498 0.231) 2.513 ======================= Grid point 105 (40/65) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.000 6.810 4.709) 8.279 0.913 ( -0.000 6.848 10.070) 12.178 0.977 ( 0.000 2.716 -4.893) 5.596 1.072 ( 0.000 7.113 -3.417) 7.891 1.121 ( 0.000 -0.497 -2.192) 2.248 1.159 ( -0.000 1.145 4.996) 5.125 1.187 ( 0.000 -3.055 0.089) 3.057 1.250 ( -0.000 -0.279 2.581) 2.596 1.288 ( 0.000 3.605 -3.220) 4.834 1.338 ( 0.000 -4.939 1.037) 5.047 1.471 ( 0.000 0.594 -2.776) 2.839 1.472 ( -0.000 1.191 5.395) 5.525 1.514 ( -0.000 4.056 2.273) 4.650 1.533 ( -0.000 2.607 0.505) 2.656 1.605 ( -0.000 0.242 0.705) 0.746 1.659 ( -0.000 2.825 -0.528) 2.874 1.715 ( -0.000 -2.658 1.637) 3.122 1.720 ( -0.000 -0.962 1.710) 1.962 1.806 ( -0.000 -1.376 0.470) 1.454 1.861 ( 0.000 -5.894 -4.645) 7.505 2.031 ( -0.000 0.499 0.202) 0.538 2.046 ( 0.000 -0.442 -5.697) 5.715 2.090 ( 0.000 -2.053 0.045) 2.054 2.151 ( 0.000 0.397 -1.614) 1.662 2.690 ( 0.000 -1.195 -0.393) 1.258 2.710 ( -0.000 -0.348 1.665) 1.701 2.824 ( -0.000 -0.101 0.134) 0.168 2.851 ( 0.000 0.664 -0.559) 0.868 3.360 ( -0.000 1.308 -0.133) 1.314 3.449 ( -0.000 2.828 0.545) 2.880 3.580 ( -0.000 4.452 2.438) 5.076 3.596 ( -0.000 3.712 2.428) 4.436 3.751 ( 0.000 0.028 -3.182) 3.182 3.786 ( 0.000 1.722 -0.778) 1.890 3.896 ( 0.000 0.876 -1.411) 1.660 3.901 ( -0.000 -0.410 0.594) 0.722 3.932 ( -0.000 0.424 0.898) 0.993 4.106 ( -0.000 -1.183 1.776) 2.134 4.114 ( 0.000 5.314 -2.880) 6.045 4.248 ( -0.000 -3.911 3.438) 5.207 4.323 ( 0.000 0.361 -1.139) 1.194 4.566 ( 0.000 -5.899 -2.131) 6.273 5.119 ( -0.000 -1.944 3.942) 4.395 5.261 ( -0.000 -0.350 2.497) 2.521 5.467 ( 0.000 2.221 -2.904) 3.656 5.976 ( 0.000 7.768 -3.729) 8.617 6.001 ( 0.000 -1.679 0.145) 1.685 6.181 ( -0.000 1.323 1.514) 2.011 6.648 ( 0.000 0.749 -2.976) 3.069 7.069 ( -0.000 5.616 2.013) 5.966 7.287 ( -0.000 -1.478 4.200) 4.453 7.316 ( -0.000 -2.874 12.051) 12.389 7.510 ( 0.000 -0.043 -4.104) 4.104 7.742 ( 0.000 0.709 -1.854) 1.985 7.896 ( 0.000 -0.152 -2.064) 2.069 7.977 ( 0.000 -2.364 -8.143) 8.479 8.270 ( -0.000 1.259 9.392) 9.476 8.404 ( 0.000 -2.992 -8.025) 8.565 8.608 ( 0.000 -2.680 -15.029) 15.266 8.976 ( -0.000 -10.251 15.577) 18.647 ======================= Grid point 106 (41/65) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 4.109 3.855 3.176) 6.468 1.003 ( 2.620 1.570 -2.558) 3.984 1.018 ( 2.883 2.739 6.200) 7.366 1.107 ( 0.599 -0.101 -3.110) 3.169 1.152 ( 0.681 0.181 1.074) 1.285 1.165 ( 1.973 3.014 -1.543) 3.919 1.186 ( -1.569 0.822 2.644) 3.182 1.248 ( 1.474 -1.932 2.357) 3.386 1.306 ( 1.825 -1.984 0.244) 2.707 1.338 ( 1.017 1.951 -0.212) 2.210 1.480 ( 1.021 2.191 -2.610) 3.557 1.509 ( 1.190 1.050 1.131) 1.949 1.548 ( -0.855 1.860 -0.126) 2.050 1.553 ( 0.023 0.228 -1.063) 1.088 1.607 ( 0.752 -1.809 4.747) 5.135 1.659 ( -2.115 2.561 1.191) 3.529 1.697 ( -1.565 -0.653 2.220) 2.793 1.721 ( -0.679 -0.166 0.877) 1.122 1.761 ( -2.961 -2.982 0.294) 4.213 1.782 ( -0.320 -4.240 -1.669) 4.568 2.016 ( -1.920 2.131 -5.480) 6.185 2.044 ( 0.985 0.057 -0.303) 1.032 2.075 ( -0.443 -1.375 3.104) 3.424 2.142 ( -0.579 0.166 -2.429) 2.502 2.693 ( 1.210 -0.392 0.754) 1.478 2.720 ( 0.704 -0.064 1.058) 1.273 2.823 ( -0.120 -0.030 0.477) 0.493 2.855 ( -0.032 0.505 -0.595) 0.781 3.374 ( 0.508 0.575 -1.031) 1.285 3.468 ( -0.165 0.570 -0.472) 0.758 3.612 ( -0.112 0.987 1.818) 2.072 3.647 ( 1.382 1.960 2.130) 3.208 3.747 ( -0.049 0.793 -1.938) 2.095 3.814 ( 1.095 1.695 0.582) 2.100 3.886 ( -0.536 0.685 -0.999) 1.324 3.924 ( 0.192 0.220 0.968) 1.011 3.932 ( 1.047 -0.592 1.530) 1.946 4.123 ( 0.493 0.540 -0.409) 0.838 4.137 ( 0.444 2.378 -2.654) 3.591 4.233 ( 1.001 -1.553 2.303) 2.953 4.312 ( -1.805 -0.245 2.115) 2.791 4.476 ( -3.344 -3.170 -4.062) 6.143 5.127 ( 1.618 -1.972 1.951) 3.212 5.240 ( -2.035 -0.915 0.184) 2.239 5.540 ( 6.484 2.421 -1.628) 7.110 5.940 ( -4.195 2.058 -0.247) 4.679 6.067 ( 3.518 0.687 -2.153) 4.181 6.184 ( -1.952 1.031 2.926) 3.665 6.670 ( 2.685 0.897 -2.594) 3.839 7.060 ( -5.104 0.321 -0.142) 5.116 7.299 ( 1.301 0.340 7.502) 7.621 7.366 ( 3.702 -3.096 6.562) 8.146 7.504 ( 0.010 0.542 -0.786) 0.955 7.773 ( 2.379 1.995 -5.069) 5.944 7.901 ( 1.000 -1.217 -5.734) 5.946 7.928 ( 0.513 0.220 -0.118) 0.570 8.300 ( -4.235 2.061 1.610) 4.977 8.319 ( -0.387 -3.620 -0.163) 3.644 8.535 ( -2.806 2.614 -12.137) 12.728 8.898 ( -2.730 -9.025 9.465) 13.360 ======================= Grid point 107 (42/65) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 3.580 -5.618 -3.369) 7.465 1.086 ( 2.035 1.554 0.118) 2.563 1.107 ( 0.756 0.322 0.726) 1.096 1.118 ( 0.711 -0.880 1.554) 1.923 1.152 ( 0.380 -1.012 1.405) 1.773 1.176 ( 4.160 4.178 2.832) 6.541 1.216 ( 0.102 0.324 0.733) 0.808 1.288 ( -2.572 3.229 -0.596) 4.171 1.327 ( 2.984 -1.169 -0.479) 3.240 1.379 ( 3.657 -1.653 3.922) 5.612 1.493 ( -2.829 -0.832 -5.881) 6.579 1.511 ( -0.356 0.086 -1.259) 1.311 1.549 ( 1.523 -0.770 0.738) 1.860 1.563 ( 1.188 0.455 0.853) 1.531 1.597 ( -0.128 -0.332 -0.796) 0.872 1.634 ( -1.749 -1.395 -1.337) 2.606 1.668 ( -4.684 -1.188 1.065) 4.948 1.680 ( -1.613 2.365 0.309) 2.879 1.713 ( 1.324 -0.866 4.269) 4.553 1.794 ( 1.509 1.433 2.582) 3.316 1.997 ( -1.820 3.320 -1.483) 4.066 2.047 ( -0.650 -1.204 -0.018) 1.368 2.065 ( 0.130 -0.500 -0.154) 0.539 2.128 ( -0.491 0.659 -0.687) 1.071 2.724 ( 1.386 0.795 1.837) 2.435 2.738 ( 1.111 0.308 -0.572) 1.287 2.820 ( -0.365 -0.268 0.500) 0.675 2.856 ( -0.049 0.306 -0.338) 0.458 3.370 ( -0.662 -0.356 -1.564) 1.735 3.447 ( -1.105 -2.084 -0.528) 2.417 3.629 ( 0.969 0.160 0.723) 1.220 3.687 ( 2.518 -1.248 0.833) 2.931 3.747 ( -1.253 1.836 -0.422) 2.263 3.837 ( -0.184 0.520 -0.429) 0.699 3.893 ( 0.586 1.371 -0.305) 1.521 3.915 ( -0.264 -1.138 2.332) 2.608 3.980 ( 2.874 0.681 1.190) 3.185 4.105 ( -1.918 1.021 -1.796) 2.818 4.187 ( 3.512 -0.730 0.817) 3.679 4.253 ( -0.542 1.004 0.342) 1.191 4.277 ( 0.053 -2.817 3.047) 4.151 4.380 ( -4.435 1.094 -4.543) 6.442 5.143 ( 1.642 -1.178 0.240) 2.035 5.190 ( -2.284 -0.539 -0.782) 2.474 5.698 ( 8.802 0.763 -0.359) 8.842 5.859 ( -6.383 0.120 0.498) 6.403 6.112 ( 1.950 -1.483 -2.098) 3.225 6.174 ( -0.985 2.441 2.982) 3.977 6.735 ( 4.314 0.945 -0.941) 4.515 6.922 ( -7.379 -3.918 -1.513) 8.491 7.363 ( 1.657 -0.180 7.344) 7.531 7.435 ( 5.337 0.132 -0.732) 5.388 7.506 ( -1.078 0.164 3.581) 3.743 7.760 ( -2.680 3.087 -10.564) 11.327 7.936 ( 5.113 -1.130 3.454) 6.273 7.990 ( 4.083 1.515 -0.363) 4.370 8.167 ( -7.361 -1.595 -1.540) 7.688 8.354 ( 1.943 0.983 4.756) 5.231 8.478 ( -4.200 5.077 -8.438) 10.706 8.782 ( -3.590 -6.756 2.880) 8.175 ======================= Grid point 108 (43/65) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -1.727 -2.991 -0.000) 3.454 1.023 ( -1.610 -2.789 0.000) 3.220 1.128 ( -0.984 -1.705 -0.000) 1.969 1.153 ( 0.125 0.217 0.000) 0.251 1.181 ( 0.648 1.123 0.000) 1.297 1.190 ( -2.421 -4.193 -0.000) 4.842 1.226 ( 0.728 1.261 0.000) 1.456 1.310 ( 1.663 2.881 -0.000) 3.326 1.371 ( 1.447 2.507 -0.000) 2.894 1.386 ( -1.994 -3.453 -0.000) 3.987 1.397 ( -2.653 -4.594 0.000) 5.305 1.502 ( 0.156 0.271 -0.000) 0.312 1.513 ( -0.694 -1.202 -0.000) 1.388 1.563 ( -1.845 -3.195 -0.000) 3.690 1.594 ( 0.222 0.385 0.000) 0.444 1.647 ( 1.738 3.011 -0.000) 3.476 1.669 ( 2.475 4.287 0.000) 4.951 1.708 ( 1.276 2.210 -0.000) 2.552 1.745 ( 0.997 1.728 -0.000) 1.995 1.835 ( 0.661 1.145 -0.000) 1.322 2.010 ( -1.064 -1.843 -0.000) 2.128 2.013 ( 0.832 1.441 0.000) 1.664 2.060 ( -0.224 -0.388 0.000) 0.448 2.136 ( 0.494 0.855 -0.000) 0.988 2.757 ( 0.409 0.709 0.000) 0.819 2.760 ( 0.862 1.493 -0.000) 1.724 2.808 ( -0.385 -0.666 0.000) 0.769 2.856 ( -0.072 -0.125 -0.000) 0.145 3.345 ( -0.640 -1.108 0.000) 1.280 3.393 ( -1.728 -2.993 -0.000) 3.456 3.643 ( 0.161 0.279 -0.000) 0.322 3.723 ( -0.144 -0.250 -0.000) 0.289 3.729 ( 0.243 0.421 -0.000) 0.486 3.827 ( -0.391 -0.678 -0.000) 0.782 3.899 ( -0.686 -1.188 0.000) 1.371 3.932 ( 1.373 2.378 -0.000) 2.746 4.038 ( 1.279 2.216 -0.000) 2.558 4.060 ( -1.699 -2.943 0.000) 3.398 4.204 ( -1.238 -2.145 -0.000) 2.477 4.245 ( 1.025 1.776 -0.000) 2.051 4.301 ( -0.317 -0.550 -0.000) 0.635 4.335 ( 1.093 1.893 0.000) 2.186 5.153 ( -0.416 -0.721 0.000) 0.833 5.168 ( 0.650 1.126 -0.000) 1.300 5.679 ( -4.879 -8.451 -0.000) 9.758 5.878 ( 3.255 5.638 -0.000) 6.510 6.088 ( -1.128 -1.953 -0.000) 2.255 6.226 ( 2.002 3.467 0.000) 4.004 6.736 ( -4.723 -8.181 -0.000) 9.447 6.835 ( 2.512 4.351 -0.000) 5.024 7.387 ( -0.097 -0.168 0.000) 0.194 7.464 ( -1.539 -2.665 -0.000) 3.077 7.547 ( 2.753 4.768 0.000) 5.505 7.743 ( 0.947 1.641 -0.000) 1.895 7.982 ( -1.976 -3.423 0.000) 3.952 8.040 ( -0.415 -0.718 -0.000) 0.829 8.090 ( 2.135 3.697 -0.000) 4.269 8.423 ( 0.928 1.607 -0.000) 1.856 8.448 ( 0.932 1.615 0.000) 1.865 8.690 ( -1.263 -2.187 -0.000) 2.526 ======================= Grid point 115 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -5.705 -2.862) 6.383 0.946 ( -0.000 -2.370 1.996) 3.099 1.037 ( -0.000 1.491 2.396) 2.822 1.121 ( -0.000 3.472 -0.958) 3.602 1.146 ( -0.000 0.467 0.420) 0.628 1.183 ( 0.000 4.312 -2.323) 4.898 1.202 ( -0.000 -1.317 7.411) 7.527 1.240 ( -0.000 -1.211 1.087) 1.628 1.245 ( -0.000 -3.488 1.172) 3.680 1.353 ( 0.000 1.196 -1.830) 2.186 1.475 ( 0.000 1.439 -1.839) 2.335 1.505 ( 0.000 0.473 -0.458) 0.658 1.544 ( 0.000 -1.735 -1.392) 2.224 1.570 ( -0.000 0.452 0.127) 0.470 1.600 ( -0.000 -1.493 5.977) 6.161 1.702 ( 0.000 -4.604 -3.564) 5.822 1.703 ( -0.000 0.551 0.426) 0.696 1.717 ( -0.000 -0.768 1.972) 2.117 1.779 ( -0.000 5.139 5.036) 7.195 1.781 ( 0.000 -0.456 -0.146) 0.479 2.031 ( 0.000 -0.313 -0.849) 0.905 2.054 ( 0.000 4.458 -2.707) 5.215 2.080 ( -0.000 -0.739 3.826) 3.897 2.139 ( 0.000 0.311 -3.427) 3.441 2.688 ( -0.000 0.701 2.238) 2.345 2.714 ( -0.000 -0.714 1.550) 1.706 2.828 ( -0.000 0.173 0.833) 0.850 2.856 ( 0.000 0.221 -0.539) 0.582 3.366 ( 0.000 -0.138 -1.458) 1.465 3.461 ( 0.000 -0.673 -3.728) 3.788 3.626 ( -0.000 -1.591 1.431) 2.140 3.640 ( -0.000 -0.690 1.395) 1.556 3.759 ( -0.000 1.936 0.081) 1.938 3.823 ( -0.000 1.151 2.786) 3.014 3.895 ( -0.000 -0.175 0.685) 0.707 3.906 ( 0.000 0.963 -1.133) 1.487 3.952 ( -0.000 0.202 2.073) 2.083 4.096 ( -0.000 -0.827 1.219) 1.473 4.147 ( 0.000 0.305 -3.716) 3.728 4.245 ( -0.000 2.431 2.945) 3.819 4.311 ( -0.000 -3.981 1.612) 4.295 4.484 ( 0.000 1.368 -5.121) 5.300 5.096 ( -0.000 -1.854 1.044) 2.128 5.246 ( 0.000 -1.475 -0.988) 1.775 5.489 ( 0.000 1.246 -1.463) 1.922 5.987 ( -0.000 -0.001 1.029) 1.029 6.042 ( 0.000 1.433 -3.487) 3.770 6.223 ( -0.000 0.117 5.534) 5.536 6.639 ( 0.000 0.880 -4.106) 4.199 7.096 ( 0.000 -2.102 -5.100) 5.516 7.285 ( -0.000 -1.527 3.730) 4.031 7.347 ( -0.000 -2.678 12.559) 12.841 7.526 ( -0.000 2.578 2.777) 3.789 7.748 ( 0.000 0.803 -0.847) 1.167 7.866 ( 0.000 1.007 -8.298) 8.359 7.932 ( -0.000 0.669 1.839) 1.957 8.278 ( 0.000 -4.672 -1.733) 4.983 8.381 ( -0.000 5.194 1.337) 5.363 8.562 ( 0.000 6.016 -12.085) 13.500 8.862 ( -0.000 -7.949 5.094) 9.442 ======================= Grid point 116 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 2.595 -8.077 -3.970) 9.367 0.953 ( 5.531 -6.982 0.423) 8.917 1.069 ( 1.266 0.916 1.670) 2.287 1.140 ( 0.987 -1.041 -1.006) 1.752 1.161 ( -0.046 1.290 2.013) 2.391 1.186 ( 1.036 -3.374 -0.103) 3.530 1.203 ( -0.488 -1.762 2.472) 3.075 1.265 ( 3.585 0.630 2.184) 4.245 1.283 ( 3.095 2.049 0.295) 3.723 1.347 ( -0.493 -0.398 0.095) 0.641 1.476 ( -0.819 -3.557 -6.335) 7.311 1.496 ( 0.900 0.815 -1.744) 2.125 1.533 ( 1.150 -0.348 1.727) 2.104 1.577 ( -0.850 1.220 0.714) 1.649 1.604 ( -0.937 -1.932 4.365) 4.864 1.634 ( -1.977 -0.286 -0.825) 2.161 1.695 ( -0.738 -1.944 -0.241) 2.093 1.714 ( -0.149 -0.171 3.396) 3.404 1.769 ( -1.898 3.020 1.238) 3.776 1.842 ( -1.255 5.221 3.391) 6.351 2.031 ( 0.792 -0.458 -1.265) 1.562 2.065 ( -2.030 0.686 1.360) 2.538 2.086 ( -1.664 4.176 -0.040) 4.495 2.136 ( 0.252 0.863 -1.942) 2.140 2.716 ( 1.061 -0.627 1.162) 1.694 2.721 ( 0.982 1.153 2.681) 3.079 2.829 ( -0.458 0.030 0.607) 0.762 2.857 ( 0.112 0.086 -0.320) 0.350 3.362 ( 0.368 -0.538 -1.903) 2.012 3.429 ( -0.481 -2.124 -3.864) 4.436 3.607 ( 0.781 -2.630 0.874) 2.880 3.638 ( 0.891 -2.734 0.799) 2.984 3.780 ( -0.245 1.963 1.068) 2.248 3.844 ( 0.171 0.138 1.797) 1.810 3.891 ( -0.088 0.476 -0.349) 0.597 3.936 ( -0.414 -0.576 2.104) 2.220 3.946 ( 1.599 0.437 2.338) 2.866 4.120 ( 2.601 -0.721 1.155) 2.935 4.135 ( -0.921 0.233 -1.086) 1.443 4.250 ( -0.379 -4.554 3.026) 5.481 4.288 ( -0.735 2.984 -0.338) 3.092 4.458 ( -3.404 3.253 -5.839) 7.501 5.098 ( 1.764 -1.471 -0.351) 2.324 5.209 ( -1.455 -1.506 -1.920) 2.841 5.558 ( 6.675 0.119 -0.258) 6.681 5.949 ( -4.299 -1.264 0.520) 4.511 6.059 ( 2.269 -0.177 -1.686) 2.832 6.228 ( -1.416 0.553 5.247) 5.463 6.662 ( 3.140 0.421 -3.181) 4.489 6.985 ( -5.303 -4.907 -5.662) 9.179 7.330 ( 4.826 -1.093 1.744) 5.246 7.374 ( 0.467 -1.055 10.842) 10.903 7.558 ( -0.974 2.384 5.503) 6.075 7.785 ( 1.902 2.469 -4.088) 5.141 7.857 ( 0.717 0.686 -2.511) 2.700 7.960 ( 1.689 0.458 3.049) 3.516 8.215 ( -1.719 -3.646 -1.529) 4.311 8.414 ( -2.684 6.135 0.322) 6.704 8.567 ( -2.493 7.640 -11.900) 14.359 8.782 ( -2.606 -5.296 1.390) 6.064 ======================= Grid point 124 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 -9.681 -2.961) 10.123 0.818 ( 0.000 -9.808 0.459) 9.818 1.058 ( 0.000 -9.109 -5.459) 10.619 1.077 ( -0.000 -0.088 1.778) 1.780 1.124 ( -0.000 -4.823 1.603) 5.082 1.184 ( -0.000 1.237 -0.236) 1.260 1.200 ( -0.000 -0.980 2.229) 2.435 1.213 ( -0.000 -3.369 4.436) 5.570 1.307 ( 0.000 5.172 -1.796) 5.475 1.357 ( -0.000 0.443 1.441) 1.507 1.424 ( 0.000 -3.308 -4.942) 5.947 1.499 ( 0.000 1.594 -0.612) 1.707 1.517 ( -0.000 -1.207 1.686) 2.074 1.600 ( -0.000 0.866 1.272) 1.539 1.619 ( -0.000 -2.534 7.113) 7.551 1.662 ( 0.000 -3.463 -0.554) 3.507 1.678 ( -0.000 3.814 -0.063) 3.815 1.723 ( -0.000 0.028 2.647) 2.647 1.808 ( -0.000 2.054 0.670) 2.160 1.926 ( -0.000 6.300 1.480) 6.472 2.015 ( 0.000 -0.091 -1.543) 1.546 2.099 ( -0.000 -0.405 4.593) 4.611 2.120 ( 0.000 0.323 -3.759) 3.773 2.167 ( -0.000 7.071 -0.169) 7.073 2.698 ( -0.000 -1.710 1.021) 1.992 2.737 ( -0.000 1.628 3.003) 3.416 2.837 ( -0.000 -0.123 0.875) 0.883 2.853 ( 0.000 -0.176 -0.541) 0.569 3.343 ( 0.000 -0.843 -1.432) 1.662 3.400 ( 0.000 -1.510 -4.693) 4.930 3.558 ( 0.000 -5.259 0.370) 5.272 3.609 ( -0.000 -2.857 1.789) 3.371 3.804 ( -0.000 1.551 1.660) 2.272 3.845 ( -0.000 -0.997 2.168) 2.386 3.903 ( -0.000 -0.776 2.357) 2.481 3.916 ( 0.000 0.539 -0.441) 0.697 3.948 ( -0.000 -1.882 0.698) 2.008 4.092 ( -0.000 -0.278 0.831) 0.877 4.159 ( -0.000 1.341 4.121) 4.334 4.214 ( -0.000 -4.432 1.856) 4.805 4.332 ( -0.000 4.409 -1.231) 4.577 4.500 ( 0.000 3.451 -7.717) 8.453 5.063 ( 0.000 -1.730 -0.710) 1.870 5.194 ( 0.000 -2.540 -2.241) 3.387 5.496 ( 0.000 0.271 -0.456) 0.531 5.986 ( 0.000 -5.263 -1.995) 5.628 6.014 ( -0.000 1.716 1.371) 2.196 6.264 ( -0.000 -0.099 6.950) 6.950 6.628 ( 0.000 1.024 -4.656) 4.767 6.950 ( 0.000 -6.790 -6.849) 9.644 7.279 ( -0.000 -1.483 3.428) 3.735 7.409 ( -0.000 0.400 11.848) 11.855 7.608 ( -0.000 0.915 6.413) 6.478 7.761 ( 0.000 0.789 -0.333) 0.856 7.886 ( 0.000 5.546 -3.198) 6.402 7.953 ( -0.000 -1.294 2.863) 3.142 8.185 ( 0.000 -2.969 -2.391) 3.812 8.508 ( 0.000 7.638 -3.021) 8.214 8.624 ( 0.000 7.562 -11.362) 13.649 8.775 ( 0.000 -1.045 -1.223) 1.609 ======================= Grid point 153 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -0.000 0.000 15.641) 15.641 0.319 ( -0.000 0.000 15.641) 15.641 0.620 ( -0.000 0.000 34.422) 34.422 0.887 ( 0.000 -0.000 -9.316) 9.316 0.887 ( 0.000 -0.000 -9.316) 9.316 1.177 ( -0.000 0.000 3.643) 3.643 1.177 ( -0.000 0.000 3.643) 3.643 1.253 ( -0.000 0.000 4.011) 4.011 1.303 ( 0.000 -0.000 -0.677) 0.677 1.314 ( 0.000 -0.000 -1.545) 1.545 1.418 ( 0.000 -0.000 -1.616) 1.616 1.418 ( 0.000 -0.000 -1.616) 1.616 1.530 ( -0.000 0.000 4.456) 4.456 1.587 ( 0.000 -0.000 -1.159) 1.159 1.587 ( 0.000 -0.000 -1.159) 1.159 1.699 ( 0.000 -0.000 -3.248) 3.248 1.803 ( -0.000 0.000 1.064) 1.064 1.803 ( -0.000 0.000 1.064) 1.064 1.838 ( 0.000 -0.000 -1.671) 1.671 1.838 ( 0.000 -0.000 -1.671) 1.671 2.020 ( 0.000 -0.000 -5.019) 5.019 2.097 ( -0.000 0.000 1.312) 1.312 2.097 ( -0.000 0.000 1.312) 1.312 2.367 ( 0.000 -0.000 -14.786) 14.786 2.645 ( -0.000 0.000 4.516) 4.516 2.789 ( -0.000 0.000 1.608) 1.608 2.789 ( -0.000 0.000 1.608) 1.608 2.826 ( 0.000 -0.000 -2.192) 2.192 3.261 ( -0.000 0.000 0.360) 0.360 3.261 ( -0.000 0.000 0.360) 0.360 3.335 ( 0.000 -0.000 -2.176) 2.176 3.335 ( 0.000 -0.000 -2.176) 2.176 3.809 ( 0.000 -0.000 -4.957) 4.957 3.809 ( 0.000 -0.000 -4.957) 4.957 3.857 ( -0.000 0.000 3.728) 3.728 3.889 ( 0.000 -0.000 -0.729) 0.729 3.889 ( 0.000 -0.000 -0.729) 0.729 4.145 ( -0.000 0.000 2.717) 2.717 4.145 ( -0.000 0.000 2.717) 2.717 4.199 ( -0.000 0.000 1.178) 1.178 4.555 ( 0.000 -0.000 -0.739) 0.739 5.002 ( 0.000 -0.000 -0.129) 0.129 5.078 ( -0.000 0.000 9.203) 9.203 5.078 ( -0.000 0.000 9.203) 9.203 5.445 ( 0.000 -0.000 -5.286) 5.286 5.445 ( 0.000 -0.000 -5.286) 5.286 6.104 ( 0.000 -0.000 -1.721) 1.721 6.104 ( 0.000 -0.000 -1.721) 1.721 6.602 ( 0.000 -0.000 -1.640) 1.640 6.602 ( 0.000 -0.000 -1.640) 1.640 7.330 ( -0.000 0.000 6.358) 6.358 7.330 ( -0.000 0.000 6.358) 6.358 7.737 ( 0.000 -0.000 -4.370) 4.370 7.737 ( 0.000 -0.000 -4.370) 4.370 7.862 ( -0.000 0.000 1.188) 1.188 8.143 ( -0.000 0.000 0.169) 0.169 8.245 ( -0.000 0.000 1.232) 1.232 8.520 ( 0.000 -0.000 -13.264) 13.264 9.063 ( -0.000 0.000 7.628) 7.628 9.419 ( -0.000 0.000 7.489) 7.489 ======================= Grid point 154 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 6.714 3.877 13.656) 15.703 0.509 ( 8.791 5.076 11.494) 15.335 0.812 ( 5.674 3.276 25.782) 26.602 0.881 ( 2.493 1.439 -7.532) 8.063 0.888 ( 2.622 1.514 -10.011) 10.459 1.171 ( -0.808 -0.467 0.750) 1.197 1.190 ( 0.680 0.392 3.626) 3.710 1.259 ( -0.697 -0.402 2.618) 2.739 1.320 ( 0.401 0.232 3.650) 3.679 1.342 ( 3.265 1.885 -2.664) 4.616 1.399 ( -1.141 -0.659 -1.241) 1.810 1.437 ( 1.431 0.826 -1.630) 2.321 1.533 ( -4.944 -2.854 -0.416) 5.724 1.541 ( 0.057 0.033 3.570) 3.571 1.567 ( -1.341 -0.774 -1.074) 1.885 1.592 ( -0.069 -0.040 -1.446) 1.448 1.799 ( -0.651 -0.376 0.140) 0.764 1.808 ( -0.204 -0.118 1.237) 1.259 1.846 ( 0.572 0.330 -1.478) 1.619 1.892 ( 0.789 0.455 -4.108) 4.208 2.007 ( 0.427 0.246 -3.280) 3.317 2.087 ( -0.798 -0.461 1.653) 1.893 2.160 ( 2.660 1.536 -0.036) 3.072 2.263 ( -3.818 -2.204 -15.553) 16.165 2.669 ( 0.671 0.387 3.789) 3.867 2.794 ( 0.027 0.015 0.884) 0.885 2.810 ( 0.697 0.402 1.027) 1.304 2.816 ( -0.178 -0.103 -2.278) 2.288 3.299 ( 1.701 0.982 0.228) 1.977 3.312 ( 3.590 2.073 -0.559) 4.183 3.350 ( 3.006 1.735 -0.862) 3.576 3.373 ( 4.135 2.387 -1.825) 5.111 3.735 ( -2.686 -1.551 -1.869) 3.621 3.790 ( -0.197 -0.114 -5.522) 5.527 3.883 ( -0.302 -0.175 -0.045) 0.352 3.887 ( 0.779 0.450 1.654) 1.883 3.893 ( 0.600 0.346 1.180) 1.368 4.136 ( -1.866 -1.077 -0.349) 2.183 4.157 ( -1.074 -0.620 2.003) 2.356 4.158 ( -0.113 -0.065 2.041) 2.046 4.490 ( -3.795 -2.191 -1.390) 4.597 4.844 ( -9.072 -5.238 7.471) 12.867 5.133 ( 1.320 0.762 10.076) 10.190 5.173 ( 3.260 1.882 9.067) 9.817 5.411 ( -0.722 -0.417 -6.469) 6.523 5.525 ( 7.597 4.386 -4.657) 9.932 6.090 ( -0.759 -0.438 -1.897) 2.090 6.172 ( 4.343 2.507 -7.150) 8.733 6.566 ( -1.299 -0.750 -0.269) 1.524 6.740 ( 8.260 4.769 -0.207) 9.540 7.289 ( -3.096 -1.788 5.539) 6.593 7.386 ( 1.229 0.709 5.527) 5.707 7.691 ( -0.355 -0.205 -1.053) 1.130 7.707 ( -0.517 -0.299 -4.517) 4.556 7.881 ( 1.019 0.589 0.245) 1.202 8.116 ( -0.934 -0.539 -11.422) 11.472 8.239 ( -2.512 -1.450 12.844) 13.168 8.471 ( -1.491 -0.861 -11.248) 11.379 8.996 ( -6.108 -3.526 5.831) 9.151 9.324 ( -9.392 -5.423 9.132) 14.178 ======================= Grid point 155 (49/65) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 9.642 5.567 8.785) 14.182 0.753 ( 9.003 5.198 7.817) 13.007 0.923 ( 3.069 1.772 -2.201) 4.171 0.934 ( 4.049 2.338 -8.761) 9.930 1.024 ( 5.958 3.440 10.836) 12.835 1.159 ( -0.650 -0.375 -0.461) 0.881 1.221 ( 0.535 0.309 2.061) 2.152 1.251 ( -0.083 -0.048 1.268) 1.271 1.326 ( -0.780 -0.451 -3.159) 3.285 1.358 ( -1.917 -1.107 1.074) 2.461 1.421 ( 3.736 2.157 0.886) 4.404 1.445 ( 1.207 0.697 1.566) 2.096 1.500 ( -3.300 -1.905 -1.250) 4.011 1.548 ( 4.179 2.412 3.362) 5.881 1.580 ( -0.594 -0.343 -2.044) 2.155 1.584 ( 2.328 1.344 1.237) 2.959 1.780 ( -0.734 -0.424 -0.924) 1.254 1.796 ( -1.563 -0.903 2.379) 2.986 1.848 ( -0.149 -0.086 -1.493) 1.503 1.866 ( -1.701 -0.982 -1.884) 2.722 2.020 ( 1.117 0.645 -0.671) 1.454 2.068 ( -1.458 -0.842 3.282) 3.688 2.101 ( -4.759 -2.747 -14.758) 15.748 2.192 ( -0.067 -0.039 -1.165) 1.167 2.695 ( 0.717 0.414 1.214) 1.470 2.789 ( -0.411 -0.237 -2.225) 2.275 2.812 ( 0.391 0.226 0.369) 0.583 2.822 ( 0.275 0.159 0.307) 0.442 3.322 ( 0.664 0.383 0.346) 0.841 3.375 ( 1.821 1.052 1.146) 2.395 3.472 ( 6.684 3.859 1.046) 7.789 3.504 ( 6.100 3.522 0.879) 7.098 3.715 ( 1.117 0.645 0.180) 1.302 3.761 ( -0.719 -0.415 -5.075) 5.143 3.876 ( -0.328 -0.190 0.251) 0.455 3.900 ( 0.375 0.216 0.548) 0.698 3.938 ( 2.791 1.611 1.314) 3.480 4.077 ( -1.973 -1.139 -2.160) 3.139 4.154 ( -0.627 -0.362 0.806) 1.084 4.183 ( 1.627 0.940 3.097) 3.623 4.399 ( -3.373 -1.947 -2.133) 4.440 4.680 ( -7.291 -4.210 4.289) 9.449 5.193 ( 0.450 0.260 8.013) 8.030 5.244 ( 0.779 0.450 5.643) 5.714 5.377 ( 0.150 0.087 -5.492) 5.495 5.726 ( 9.629 5.559 -1.617) 11.235 6.060 ( -1.217 -0.702 -1.869) 2.338 6.231 ( 3.044 1.757 -6.469) 7.362 6.545 ( -0.708 -0.409 2.145) 2.296 6.919 ( 6.197 3.578 4.019) 8.207 7.257 ( -1.187 -0.686 6.192) 6.342 7.414 ( -0.084 -0.048 1.397) 1.400 7.690 ( 0.245 0.141 -2.182) 2.200 7.728 ( 3.042 1.756 0.085) 3.514 7.895 ( -0.131 -0.075 -3.634) 3.637 8.021 ( -2.861 -1.652 -12.588) 13.015 8.230 ( -2.273 -1.312 14.813) 15.044 8.388 ( -1.995 -1.152 -8.160) 8.479 8.810 ( -9.373 -5.411 -12.050) 16.197 9.132 ( -10.042 -5.798 17.890) 21.319 ======================= Grid point 156 (50/65) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 6.757 3.901 4.099) 8.813 0.957 ( 6.070 3.504 1.829) 7.244 0.984 ( 1.734 1.001 3.956) 4.434 1.009 ( 4.890 2.823 -2.966) 6.378 1.111 ( -0.933 -0.538 -4.840) 4.959 1.179 ( 3.960 2.286 3.853) 5.979 1.195 ( -2.749 -1.587 -0.692) 3.249 1.286 ( 2.927 1.690 -0.723) 3.456 1.291 ( -1.053 -0.608 -0.853) 1.485 1.335 ( -1.679 -0.970 2.056) 2.826 1.427 ( -1.575 -0.909 0.206) 1.830 1.480 ( 1.548 0.893 -2.313) 2.923 1.518 ( 3.277 1.892 2.847) 4.736 1.550 ( -1.493 -0.862 0.112) 1.728 1.654 ( 3.269 1.888 0.009) 3.775 1.664 ( 1.864 1.076 3.871) 4.429 1.759 ( -1.845 -1.065 -0.222) 2.142 1.761 ( -0.499 -0.288 -1.935) 2.019 1.823 ( -1.674 -0.966 -1.060) 2.204 1.824 ( -0.322 -0.186 2.098) 2.131 1.961 ( -2.455 -1.417 -10.867) 11.231 2.029 ( -0.709 -0.409 0.594) 1.011 2.065 ( 0.311 0.179 5.118) 5.131 2.167 ( -1.276 -0.737 -2.571) 2.963 2.709 ( 0.675 0.390 -1.808) 1.969 2.766 ( -0.728 -0.420 -2.997) 3.113 2.829 ( 0.364 0.210 -0.255) 0.491 2.830 ( 0.666 0.384 1.466) 1.655 3.337 ( 0.350 0.202 1.537) 1.589 3.404 ( -0.102 -0.059 4.377) 4.379 3.617 ( 3.076 1.776 0.786) 3.638 3.631 ( 6.212 3.586 0.108) 7.173 3.721 ( -1.456 -0.841 -2.802) 3.268 3.770 ( 3.019 1.743 0.992) 3.625 3.873 ( 0.108 0.062 0.771) 0.781 3.910 ( 0.488 0.281 -0.803) 0.981 4.011 ( 1.093 0.631 -2.388) 2.701 4.048 ( 1.679 0.969 1.541) 2.476 4.136 ( -0.910 -0.525 -0.574) 1.197 4.240 ( 1.854 1.070 2.356) 3.183 4.334 ( -1.156 -0.667 -1.116) 1.740 4.530 ( -6.521 -3.765 0.589) 7.553 5.179 ( -2.487 -1.436 -0.041) 2.872 5.258 ( -0.680 -0.392 2.408) 2.533 5.405 ( 2.510 1.449 1.349) 3.197 5.913 ( 6.336 3.658 0.778) 7.358 6.025 ( -1.108 -0.640 -2.027) 2.397 6.271 ( 2.130 1.230 -5.325) 5.865 6.552 ( 0.249 0.143 4.588) 4.597 7.031 ( 1.613 0.931 5.970) 6.254 7.289 ( 2.253 1.301 7.130) 7.590 7.390 ( -1.506 -0.869 -3.440) 3.855 7.705 ( 1.083 0.625 0.831) 1.501 7.784 ( -2.565 -1.481 -17.245) 17.498 7.803 ( -0.145 -0.084 2.272) 2.279 7.972 ( 0.824 0.476 -6.229) 6.301 8.246 ( -0.092 -0.053 11.748) 11.749 8.352 ( 0.833 0.481 -4.261) 4.368 8.542 ( -8.791 -5.076 -10.203) 14.393 8.986 ( -7.992 -4.614 14.160) 16.902 ======================= Grid point 157 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -5.598 -3.232 2.897) 7.084 0.974 ( -3.683 -2.126 -3.132) 5.282 1.041 ( 2.162 1.248 1.670) 3.004 1.116 ( 1.673 0.966 -1.351) 2.357 1.142 ( 2.598 1.500 2.307) 3.784 1.161 ( 2.827 1.632 0.507) 3.304 1.237 ( -0.261 -0.151 -2.422) 2.441 1.260 ( -3.342 -1.930 -1.654) 4.199 1.279 ( -0.336 -0.194 -1.002) 1.074 1.338 ( 0.933 0.539 0.098) 1.082 1.450 ( 1.892 1.093 2.742) 3.506 1.480 ( -2.006 -1.158 0.796) 2.449 1.523 ( 0.301 0.174 1.597) 1.634 1.573 ( 0.812 0.469 0.287) 0.981 1.662 ( -1.333 -0.769 2.802) 3.197 1.687 ( -1.862 -1.075 -6.390) 6.742 1.710 ( 0.491 0.284 -0.927) 1.087 1.744 ( -0.403 -0.233 -3.053) 3.088 1.778 ( -0.760 -0.439 0.290) 0.924 1.842 ( 1.808 1.044 -5.701) 6.071 2.009 ( 6.322 3.650 4.090) 8.368 2.016 ( -0.639 -0.369 2.104) 2.230 2.095 ( 0.612 0.353 4.529) 4.583 2.129 ( -0.865 -0.499 -4.349) 4.462 2.718 ( 0.909 0.525 -3.176) 3.345 2.736 ( -0.970 -0.560 -2.593) 2.824 2.836 ( 0.355 0.205 -0.697) 0.809 2.847 ( 0.347 0.200 1.288) 1.348 3.346 ( -0.145 -0.084 2.070) 2.077 3.408 ( -1.024 -0.591 6.065) 6.179 3.648 ( -0.330 -0.191 -0.297) 0.483 3.649 ( -2.751 -1.588 -2.924) 4.317 3.758 ( 3.227 1.863 0.385) 3.746 3.836 ( 1.962 1.133 0.263) 2.281 3.891 ( 0.978 0.565 1.770) 2.100 3.915 ( 0.382 0.221 -2.756) 2.791 3.984 ( -1.100 -0.635 -2.634) 2.924 4.111 ( -0.895 -0.517 -1.477) 1.803 4.124 ( 2.496 1.441 0.912) 3.023 4.263 ( 1.428 0.824 -1.222) 2.052 4.328 ( -3.085 -1.781 -0.535) 3.603 4.427 ( -0.173 -0.100 4.461) 4.465 5.112 ( -2.547 -1.471 -1.896) 3.500 5.235 ( -1.691 -0.976 1.055) 2.219 5.467 ( 1.820 1.050 2.628) 3.364 6.003 ( -0.060 -0.035 -1.974) 1.975 6.010 ( 1.478 0.853 2.333) 2.891 6.284 ( 0.542 0.313 -5.602) 5.636 6.586 ( 0.992 0.573 5.740) 5.853 7.033 ( -3.014 -1.740 6.577) 7.441 7.333 ( -1.888 -1.090 -5.066) 5.515 7.388 ( 3.401 1.964 3.007) 4.946 7.641 ( -1.992 -1.150 -14.738) 14.917 7.736 ( 1.117 0.645 1.415) 1.914 7.826 ( 0.964 0.557 -1.943) 2.239 7.973 ( 0.619 0.357 -5.207) 5.256 8.266 ( -3.683 -2.127 1.058) 4.383 8.362 ( 3.226 1.863 3.652) 5.216 8.464 ( 3.399 1.962 5.601) 6.839 8.858 ( -5.900 -3.406 5.322) 8.646 ======================= Grid point 162 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.000 7.569 12.688) 14.774 0.530 ( -0.000 7.893 13.527) 15.662 0.852 ( 0.000 3.133 -9.973) 10.453 0.854 ( 0.000 3.584 -8.618) 9.333 0.903 ( -0.000 5.498 23.069) 23.716 1.148 ( -0.000 -2.811 1.446) 3.161 1.216 ( -0.000 1.033 1.890) 2.154 1.268 ( -0.000 -0.777 1.240) 1.463 1.323 ( 0.000 1.053 -1.571) 1.891 1.339 ( -0.000 2.950 1.387) 3.260 1.414 ( 0.000 0.405 -1.798) 1.843 1.422 ( 0.000 1.815 -0.912) 2.031 1.517 ( -0.000 -7.654 5.720) 9.556 1.531 ( -0.000 -2.599 2.419) 3.550 1.592 ( 0.000 0.798 -0.267) 0.842 1.595 ( -0.000 -0.462 0.164) 0.490 1.787 ( -0.000 -2.159 0.794) 2.300 1.804 ( 0.000 -0.654 -0.066) 0.657 1.823 ( 0.000 0.245 -0.919) 0.951 1.922 ( 0.000 3.341 -4.380) 5.509 1.995 ( 0.000 0.859 -2.851) 2.978 2.125 ( -0.000 1.060 0.222) 1.083 2.127 ( -0.000 1.145 1.637) 1.998 2.211 ( 0.000 -3.307 -16.942) 17.262 2.681 ( -0.000 0.357 4.050) 4.066 2.785 ( 0.000 -1.564 -0.700) 1.714 2.813 ( -0.000 0.923 0.780) 1.208 2.818 ( 0.000 0.831 -0.966) 1.274 3.283 ( -0.000 1.919 0.706) 2.045 3.315 ( -0.000 3.008 0.110) 3.010 3.355 ( -0.000 3.597 -1.112) 3.765 3.365 ( -0.000 5.207 -0.184) 5.211 3.732 ( 0.000 -1.958 -1.534) 2.487 3.772 ( 0.000 -0.134 -4.779) 4.781 3.887 ( 0.000 -0.046 -0.323) 0.326 3.892 ( -0.000 0.484 0.499) 0.695 3.898 ( -0.000 1.128 2.143) 2.422 4.102 ( 0.000 -4.913 0.351) 4.926 4.148 ( -0.000 -1.014 2.441) 2.643 4.212 ( -0.000 1.673 1.597) 2.313 4.486 ( 0.000 -4.246 -2.403) 4.879 4.877 ( -0.000 -9.084 5.023) 10.380 5.141 ( -0.000 -0.164 9.406) 9.407 5.215 ( -0.000 2.757 9.627) 10.014 5.415 ( 0.000 0.758 -6.254) 6.300 5.521 ( 0.000 11.954 -6.578) 13.645 6.077 ( 0.000 -1.318 -1.401) 1.924 6.121 ( 0.000 1.594 -4.388) 4.669 6.618 ( 0.000 1.245 -2.222) 2.547 6.704 ( -0.000 9.750 1.061) 9.808 7.339 ( -0.000 -1.907 6.515) 6.788 7.378 ( -0.000 -1.249 7.759) 7.859 7.615 ( 0.000 -5.693 -1.661) 5.930 7.721 ( 0.000 0.833 -4.234) 4.315 7.884 ( -0.000 1.025 0.163) 1.038 8.077 ( 0.000 -0.447 -13.931) 13.938 8.288 ( -0.000 -1.961 13.559) 13.700 8.463 ( 0.000 0.502 -8.004) 8.020 8.996 ( 0.000 -8.844 -3.040) 9.352 9.361 ( -0.000 -9.649 11.235) 14.810 ======================= Grid point 163 (53/65) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 4.332 8.122 10.565) 14.013 0.717 ( 5.874 7.816 9.471) 13.612 0.873 ( 2.230 3.868 -8.581) 9.673 0.898 ( 2.647 5.524 -6.893) 9.221 1.038 ( 1.825 4.429 12.142) 13.053 1.142 ( 1.185 -1.150 1.806) 2.447 1.233 ( -0.202 0.305 1.478) 1.523 1.263 ( 0.221 0.100 -0.746) 0.784 1.316 ( 0.094 -1.193 -1.859) 2.211 1.379 ( 0.488 2.232 -1.580) 2.778 1.408 ( -1.098 2.039 -0.658) 2.408 1.436 ( 0.494 -0.472 2.587) 2.676 1.506 ( 1.551 -1.411 8.807) 9.053 1.531 ( 2.072 -1.996 0.982) 3.040 1.565 ( -2.078 0.666 1.631) 2.724 1.602 ( -0.229 0.955 0.257) 1.015 1.768 ( -0.048 -2.220 0.209) 2.230 1.797 ( 0.281 -1.697 -0.277) 1.742 1.823 ( -0.005 -0.548 -0.109) 0.559 1.908 ( -1.931 1.070 -4.012) 4.579 2.009 ( 0.892 1.312 -0.814) 1.784 2.090 ( -3.016 -2.997 -14.412) 15.026 2.102 ( -1.728 0.152 2.229) 2.824 2.173 ( 1.439 -0.398 -1.176) 1.901 2.700 ( 0.208 0.388 2.645) 2.681 2.766 ( 0.374 -1.988 -1.803) 2.710 2.816 ( -0.217 0.636 0.243) 0.715 2.828 ( 0.010 0.647 -0.220) 0.684 3.319 ( 0.996 1.450 0.236) 1.775 3.363 ( 1.770 3.022 0.510) 3.539 3.429 ( 3.524 5.562 0.719) 6.624 3.465 ( 3.770 5.571 2.483) 7.171 3.720 ( -0.084 1.226 0.199) 1.245 3.753 ( -0.310 -0.046 -4.191) 4.202 3.879 ( -0.476 -0.275 -0.083) 0.556 3.906 ( 0.485 0.827 0.394) 1.037 3.924 ( 1.083 1.475 1.572) 2.413 4.057 ( -0.445 -3.224 -0.437) 3.284 4.160 ( 1.589 -0.787 2.729) 3.254 4.214 ( -2.303 2.678 0.338) 3.548 4.408 ( -2.190 -4.519 -2.445) 5.585 4.748 ( -5.343 -7.683 2.728) 9.748 5.192 ( 2.123 -1.206 8.402) 8.750 5.256 ( -0.374 0.031 5.402) 5.415 5.406 ( -0.536 3.601 -6.272) 7.253 5.657 ( 4.222 10.328 -2.359) 11.404 6.075 ( -0.073 0.117 -0.470) 0.490 6.146 ( 3.341 0.091 -4.711) 5.776 6.600 ( -1.979 2.607 -0.202) 3.279 6.868 ( 5.325 7.049 2.524) 9.188 7.306 ( -2.452 -1.892 9.556) 10.046 7.415 ( 0.853 -0.429 3.346) 3.480 7.595 ( 3.561 -4.670 0.834) 5.932 7.725 ( 1.035 1.677 -4.165) 4.608 7.896 ( 0.373 1.003 -1.222) 1.625 8.005 ( -2.074 -0.921 -13.161) 13.355 8.295 ( -1.689 -2.348 12.052) 12.394 8.404 ( -3.054 -0.534 -6.441) 7.149 8.817 ( -5.319 -9.964 -13.969) 17.964 9.252 ( -5.710 -9.613 15.471) 19.089 ======================= Grid point 164 (54/65) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 5.895 6.546 6.319) 10.841 0.922 ( 5.936 6.759 4.856) 10.222 0.943 ( 4.049 4.101 -5.285) 7.819 0.989 ( 2.650 5.780 -1.963) 6.654 1.122 ( 0.109 2.116 -0.884) 2.296 1.168 ( 1.034 0.809 5.654) 5.805 1.217 ( -1.293 -0.946 0.138) 1.608 1.255 ( 0.850 -1.114 -2.680) 3.025 1.314 ( -1.305 2.419 0.180) 2.754 1.391 ( 1.883 -0.270 1.590) 2.479 1.397 ( -2.903 0.057 -0.520) 2.950 1.475 ( 3.294 -0.044 1.366) 3.566 1.507 ( -1.501 2.275 -0.997) 2.902 1.549 ( 0.578 -1.056 0.230) 1.226 1.612 ( 2.364 0.607 1.249) 2.742 1.644 ( 3.416 1.581 7.279) 8.195 1.745 ( 0.080 -2.129 -0.178) 2.138 1.767 ( -1.176 -2.705 -0.353) 2.970 1.804 ( -0.802 -2.112 0.743) 2.378 1.859 ( -2.066 -0.782 -3.732) 4.337 1.964 ( -3.249 -1.338 -9.253) 9.897 2.035 ( 0.482 1.083 -0.263) 1.214 2.088 ( -0.937 -0.209 4.763) 4.858 2.162 ( -0.527 -1.538 -2.860) 3.290 2.709 ( -0.269 0.712 -0.076) 0.764 2.748 ( 0.443 -1.483 -2.174) 2.669 2.826 ( 0.381 0.153 1.021) 1.100 2.831 ( 0.024 0.697 -0.475) 0.844 3.346 ( 0.266 1.380 0.767) 1.601 3.420 ( 0.822 2.059 2.436) 3.294 3.568 ( 5.255 4.786 0.616) 7.134 3.580 ( 3.574 2.535 1.391) 4.597 3.731 ( -0.918 0.169 -2.497) 2.666 3.757 ( 1.651 2.573 0.946) 3.200 3.870 ( -0.098 -0.437 0.318) 0.549 3.921 ( 0.033 1.285 -0.041) 1.286 3.986 ( 2.656 2.671 0.339) 3.782 4.019 ( -0.103 -2.460 -0.283) 2.478 4.183 ( -2.135 1.924 -0.731) 2.966 4.216 ( 2.075 0.379 2.747) 3.464 4.328 ( -1.162 -3.080 -2.049) 3.878 4.585 ( -5.605 -6.540 0.115) 8.614 5.207 ( -1.656 -1.637 1.586) 2.817 5.247 ( 0.123 -2.042 2.252) 3.042 5.446 ( 0.161 7.167 -0.536) 7.189 5.826 ( 6.632 3.935 0.280) 7.717 6.063 ( -2.289 2.033 -0.161) 3.066 6.191 ( 4.099 -1.294 -4.372) 6.131 6.608 ( -1.424 3.805 2.333) 4.685 7.002 ( 3.566 1.539 3.407) 5.166 7.308 ( 0.156 -0.428 10.983) 10.993 7.405 ( -1.525 0.182 -2.967) 3.341 7.631 ( 3.806 -4.236 3.789) 6.840 7.735 ( 0.290 0.986 -14.013) 14.050 7.881 ( -3.247 2.289 -1.995) 4.445 7.940 ( 0.589 -0.002 -5.182) 5.215 8.277 ( -1.192 -2.232 7.133) 7.568 8.344 ( -0.888 0.139 -2.713) 2.858 8.574 ( -6.372 -7.538 -9.734) 13.863 9.099 ( -7.046 -8.497 11.604) 16.015 ======================= Grid point 165 (55/65) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.504 2.414 2.384) 3.430 1.016 ( -0.230 4.821 -4.697) 6.735 1.052 ( -2.079 0.293 4.042) 4.555 1.075 ( 4.238 4.018 -1.083) 5.940 1.138 ( 3.733 5.802 1.738) 7.115 1.166 ( -2.418 -0.735 -0.529) 2.582 1.205 ( 1.702 -1.810 -0.883) 2.636 1.286 ( 0.464 0.853 -1.406) 1.709 1.301 ( -2.630 -0.076 -0.874) 2.773 1.345 ( -0.738 2.431 -0.919) 2.702 1.447 ( 1.436 2.294 3.422) 4.363 1.501 ( -0.848 0.823 1.049) 1.581 1.532 ( 0.279 -1.278 1.345) 1.876 1.551 ( 2.030 0.671 0.543) 2.206 1.658 ( 0.008 -1.934 -3.468) 3.971 1.668 ( 1.486 -1.019 0.295) 1.826 1.701 ( -1.976 -3.202 2.742) 4.656 1.734 ( -0.228 -1.117 -3.501) 3.682 1.773 ( -0.789 -2.820 0.294) 2.943 1.810 ( -0.022 0.022 -7.524) 7.524 1.956 ( 4.096 1.488 4.406) 6.197 2.037 ( -0.939 0.563 0.943) 1.445 2.096 ( -0.108 -1.175 2.787) 3.026 2.124 ( -0.345 -0.363 -2.567) 2.616 2.710 ( -0.060 1.220 -2.366) 2.663 2.735 ( -0.223 -0.419 -1.772) 1.834 2.829 ( 0.146 -0.096 -0.347) 0.388 2.847 ( 0.562 0.407 0.848) 1.096 3.360 ( -0.220 0.597 1.544) 1.670 3.443 ( -0.917 0.454 4.168) 4.292 3.628 ( 1.071 -0.129 -0.860) 1.380 3.674 ( 0.361 1.762 -3.001) 3.498 3.726 ( 1.874 1.032 1.940) 2.888 3.816 ( 1.928 1.829 0.198) 2.665 3.874 ( 0.714 -0.090 1.022) 1.250 3.935 ( -0.285 2.242 -1.161) 2.541 3.968 ( -0.870 -1.323 -4.026) 4.327 4.086 ( 3.816 0.652 3.409) 5.159 4.150 ( -2.770 2.042 -2.336) 4.159 4.248 ( 0.454 0.032 -0.437) 0.631 4.324 ( 1.943 -0.966 0.730) 2.289 4.439 ( -3.369 -5.111 1.373) 6.274 5.146 ( -3.061 -0.584 -1.607) 3.507 5.233 ( -0.007 -2.597 1.387) 2.944 5.522 ( -1.028 7.731 1.811) 8.007 5.938 ( 4.379 -1.785 0.209) 4.734 6.050 ( -1.772 3.049 0.818) 3.620 6.224 ( 3.023 -1.769 -4.259) 5.514 6.635 ( -1.328 4.040 3.682) 5.625 7.037 ( 0.674 -4.270 4.253) 6.064 7.359 ( -1.459 1.779 -2.906) 3.706 7.377 ( 1.133 0.888 5.270) 5.463 7.591 ( -1.718 -2.452 -14.306) 14.616 7.719 ( 2.486 0.266 0.124) 2.503 7.869 ( -2.969 3.892 0.293) 4.904 7.949 ( 1.095 1.069 -3.615) 3.925 8.271 ( 0.965 -4.046 3.630) 5.521 8.345 ( 0.015 1.202 -2.815) 3.061 8.445 ( 0.828 -2.139 5.619) 6.069 8.928 ( -6.394 -7.240 3.920) 10.424 ======================= Grid point 171 (56/65) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.000 7.910 9.270) 12.186 0.784 ( -0.000 8.984 9.134) 12.811 0.872 ( 0.000 5.210 -7.648) 9.254 0.911 ( 0.000 7.149 -6.557) 9.701 1.100 ( -0.000 2.814 3.124) 4.204 1.139 ( -0.000 1.281 7.157) 7.270 1.230 ( -0.000 -0.805 0.602) 1.005 1.245 ( 0.000 -1.012 -2.130) 2.358 1.294 ( 0.000 -1.810 -0.143) 1.815 1.401 ( 0.000 -0.813 -1.809) 1.983 1.418 ( 0.000 4.687 -2.179) 5.169 1.472 ( -0.000 2.834 0.802) 2.945 1.480 ( 0.000 -2.901 0.175) 2.906 1.521 ( -0.000 -1.198 14.265) 14.316 1.603 ( -0.000 0.086 4.356) 4.357 1.609 ( 0.000 1.669 -0.868) 1.881 1.753 ( -0.000 -1.701 1.430) 2.222 1.771 ( 0.000 -2.087 -1.547) 2.598 1.824 ( -0.000 -0.194 0.480) 0.517 1.909 ( 0.000 -0.937 -5.577) 5.655 2.013 ( -0.000 1.434 -0.182) 1.446 2.042 ( 0.000 -2.362 -12.568) 12.788 2.135 ( 0.000 0.487 -1.960) 2.020 2.140 ( -0.000 -1.529 2.894) 3.273 2.706 ( -0.000 -0.298 1.808) 1.832 2.738 ( 0.000 -1.883 0.014) 1.883 2.825 ( -0.000 0.077 0.136) 0.156 2.832 ( 0.000 0.951 -0.829) 1.261 3.326 ( -0.000 1.899 0.134) 1.903 3.385 ( -0.000 3.719 0.797) 3.803 3.467 ( -0.000 6.903 1.312) 7.027 3.506 ( -0.000 6.244 3.396) 7.108 3.737 ( -0.000 2.167 -0.533) 2.232 3.740 ( 0.000 -0.165 -3.343) 3.347 3.883 ( 0.000 0.010 -0.564) 0.564 3.904 ( -0.000 0.303 0.239) 0.386 3.934 ( -0.000 1.055 2.033) 2.290 4.045 ( -0.000 -0.388 0.235) 0.454 4.140 ( -0.000 -1.345 1.995) 2.406 4.263 ( -0.000 2.927 -0.758) 3.023 4.366 ( 0.000 -5.757 -1.987) 6.090 4.715 ( 0.000 -8.972 -0.071) 8.972 5.182 ( -0.000 -2.031 7.174) 7.456 5.279 ( -0.000 -0.280 3.634) 3.645 5.402 ( 0.000 2.519 -5.730) 6.260 5.753 ( 0.000 12.891 -4.056) 13.514 6.038 ( 0.000 -1.846 -0.163) 1.853 6.145 ( -0.000 2.493 0.586) 2.561 6.619 ( 0.000 0.864 -3.675) 3.776 6.928 ( -0.000 9.559 3.235) 10.092 7.343 ( -0.000 -2.097 6.144) 6.492 7.412 ( -0.000 -1.317 8.741) 8.839 7.527 ( -0.000 -3.471 3.129) 4.673 7.714 ( 0.000 1.153 -3.224) 3.424 7.891 ( 0.000 0.032 -1.126) 1.126 7.973 ( 0.000 -0.796 -11.800) 11.827 8.320 ( -0.000 -2.516 7.513) 7.923 8.401 ( 0.000 -1.104 -7.352) 7.434 8.708 ( 0.000 -10.491 -12.239) 16.120 9.244 ( -0.000 -11.108 12.003) 16.354 ======================= Grid point 172 (57/65) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 3.307 7.093 7.368) 10.749 0.910 ( 2.673 6.438 -2.799) 7.512 0.931 ( 2.519 6.164 2.430) 7.089 0.999 ( 2.897 7.874 -3.910) 9.256 1.125 ( 1.316 0.736 -1.213) 1.935 1.184 ( 0.360 1.089 4.620) 4.760 1.219 ( -0.416 -2.653 -0.886) 2.828 1.240 ( -0.529 1.256 0.083) 1.365 1.298 ( 3.024 -0.984 1.765) 3.637 1.391 ( -1.122 -1.940 -0.328) 2.265 1.421 ( 0.987 1.722 -2.363) 3.086 1.473 ( -1.449 2.736 0.473) 3.132 1.511 ( 1.701 0.574 -1.058) 2.084 1.547 ( -0.495 0.428 1.789) 1.905 1.616 ( -0.780 1.830 0.947) 2.203 1.643 ( 1.228 0.301 10.077) 10.156 1.731 ( -0.681 -1.875 1.377) 2.424 1.752 ( -0.014 -1.752 -0.122) 1.757 1.810 ( -1.258 -1.378 0.926) 2.083 1.856 ( -1.480 -2.917 -5.110) 6.067 1.968 ( -1.865 -0.778 -8.555) 8.790 2.033 ( 0.830 1.011 0.112) 1.313 2.117 ( -0.914 -0.438 2.694) 2.879 2.139 ( 0.106 -1.609 -1.996) 2.566 2.710 ( 0.968 -0.900 -0.178) 1.334 2.727 ( -0.394 -0.496 1.566) 1.689 2.826 ( 0.063 0.023 0.427) 0.432 2.837 ( -0.084 0.845 -0.944) 1.269 3.352 ( 0.767 1.378 -0.277) 1.602 3.432 ( 1.074 2.847 0.219) 3.051 3.560 ( 2.207 5.873 1.876) 6.548 3.580 ( 0.860 4.020 1.820) 4.495 3.730 ( 0.114 0.016 -2.239) 2.242 3.765 ( 0.756 2.718 -0.356) 2.844 3.874 ( -0.592 0.028 -0.440) 0.738 3.919 ( 0.981 0.405 0.262) 1.093 3.962 ( 1.648 -0.125 3.542) 3.909 4.037 ( -1.695 2.388 -2.533) 3.872 4.158 ( 2.670 -1.267 2.816) 4.082 4.261 ( -2.357 2.533 -4.809) 5.924 4.306 ( -0.685 -3.454 2.176) 4.139 4.590 ( -3.552 -7.985 -1.254) 8.829 5.191 ( 1.139 -3.056 3.983) 5.148 5.261 ( -2.050 -0.948 0.257) 2.273 5.459 ( 4.437 4.491 -2.797) 6.905 5.835 ( -1.111 7.921 -1.374) 8.115 6.066 ( 3.962 -0.869 -0.762) 4.127 6.157 ( -1.913 2.230 1.698) 3.394 6.634 ( 1.858 1.624 -2.478) 3.497 7.013 ( -0.422 4.747 1.371) 4.959 7.338 ( -0.260 -1.325 8.167) 8.278 7.412 ( -0.594 -0.469 -3.023) 3.116 7.553 ( 3.019 -3.707 12.000) 12.917 7.712 ( -0.628 1.668 -7.887) 8.086 7.896 ( 1.341 0.033 -2.876) 3.173 7.925 ( -0.359 -0.206 -4.055) 4.076 8.300 ( -1.847 -1.597 1.959) 3.131 8.352 ( -1.266 -0.685 -4.066) 4.313 8.555 ( -3.280 -7.195 -5.685) 9.739 9.129 ( -3.898 -10.748 6.205) 13.008 ======================= Grid point 173 (58/65) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.946 5.102 -0.000) 5.891 1.016 ( 3.245 5.620 0.000) 6.489 1.075 ( 4.126 7.146 -0.000) 8.252 1.098 ( 1.764 3.055 0.000) 3.528 1.144 ( 0.823 1.425 -0.000) 1.646 1.152 ( -2.068 -3.581 -0.000) 4.135 1.204 ( -0.476 -0.824 -0.000) 0.952 1.255 ( 0.504 0.873 -0.000) 1.008 1.347 ( -0.141 -0.244 0.000) 0.282 1.372 ( 1.412 2.446 -0.000) 2.824 1.469 ( 1.313 2.274 -0.000) 2.626 1.484 ( 1.024 1.774 -0.000) 2.048 1.518 ( -0.029 -0.050 -0.000) 0.058 1.552 ( 0.286 0.495 -0.000) 0.572 1.623 ( 0.459 0.795 -0.000) 0.918 1.654 ( -1.471 -2.548 -0.000) 2.942 1.714 ( -1.293 -2.240 0.000) 2.587 1.719 ( -1.504 -2.605 -0.000) 3.008 1.766 ( -1.492 -2.585 0.000) 2.985 1.793 ( -0.800 -1.385 -0.000) 1.599 1.935 ( 0.669 1.159 -0.000) 1.338 2.053 ( 0.325 0.562 -0.000) 0.649 2.098 ( -1.303 -2.257 -0.000) 2.606 2.118 ( 0.076 0.131 0.000) 0.151 2.721 ( 0.066 0.113 -0.000) 0.131 2.724 ( 0.318 0.550 0.000) 0.635 2.827 ( -0.108 -0.188 -0.000) 0.217 2.844 ( 0.372 0.644 -0.000) 0.744 3.369 ( 0.201 0.347 -0.000) 0.401 3.464 ( 0.273 0.473 -0.000) 0.546 3.616 ( 0.726 1.258 -0.000) 1.452 3.662 ( 2.300 3.984 0.000) 4.600 3.727 ( -0.044 -0.076 -0.000) 0.088 3.809 ( 1.185 2.053 -0.000) 2.371 3.871 ( 0.255 0.442 -0.000) 0.510 3.937 ( 0.182 0.316 -0.000) 0.364 3.982 ( -0.529 -0.916 -0.000) 1.058 4.049 ( 1.735 3.004 -0.000) 3.469 4.198 ( 0.148 0.256 -0.000) 0.296 4.241 ( 0.493 0.854 0.000) 0.986 4.287 ( -0.027 -0.047 -0.000) 0.054 4.447 ( -3.862 -6.690 -0.000) 7.725 5.177 ( -0.911 -1.578 -0.000) 1.822 5.212 ( -1.157 -2.004 -0.000) 2.314 5.598 ( 4.232 7.331 -0.000) 8.465 5.868 ( 0.184 0.318 -0.000) 0.367 6.122 ( 1.122 1.944 0.000) 2.245 6.142 ( -0.302 -0.524 -0.000) 0.605 6.687 ( 1.707 2.956 -0.000) 3.414 7.003 ( -1.774 -3.073 -0.000) 3.549 7.377 ( 1.340 2.321 -0.000) 2.680 7.385 ( -0.094 -0.163 0.000) 0.188 7.572 ( -1.566 -2.713 -0.000) 3.133 7.689 ( 0.747 1.294 0.000) 1.494 7.934 ( 1.703 2.950 -0.000) 3.406 7.937 ( 0.814 1.410 0.000) 1.628 8.230 ( -2.506 -4.341 -0.000) 5.012 8.350 ( 0.863 1.494 0.000) 1.725 8.437 ( -2.058 -3.564 -0.000) 4.115 8.955 ( -5.399 -9.352 -0.000) 10.799 ======================= Grid point 181 (59/65) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.000 5.044 5.901) 7.763 0.934 ( 0.000 4.941 -3.568) 6.095 0.999 ( -0.000 6.738 4.817) 8.283 1.031 ( 0.000 8.141 -4.193) 9.158 1.088 ( 0.000 -3.255 -2.694) 4.225 1.189 ( 0.000 -3.275 0.391) 3.298 1.207 ( -0.000 1.300 0.778) 1.515 1.269 ( -0.000 4.323 0.187) 4.328 1.277 ( -0.000 -0.796 3.009) 3.112 1.345 ( 0.000 -4.138 0.074) 4.139 1.442 ( 0.000 0.241 -2.484) 2.495 1.474 ( 0.000 2.018 -1.582) 2.564 1.534 ( -0.000 3.077 -0.322) 3.094 1.557 ( 0.000 -0.345 -0.058) 0.350 1.655 ( -0.000 3.194 -0.225) 3.201 1.667 ( -0.000 -1.062 8.194) 8.263 1.735 ( -0.000 -0.903 3.689) 3.798 1.740 ( -0.000 -0.934 2.038) 2.241 1.813 ( -0.000 -1.543 0.848) 1.761 1.817 ( 0.000 -4.298 -2.092) 4.781 1.957 ( 0.000 1.746 -8.481) 8.659 2.031 ( -0.000 0.217 -0.048) 0.222 2.118 ( 0.000 0.260 -4.491) 4.499 2.127 ( -0.000 -2.041 4.679) 5.105 2.693 ( -0.000 -0.482 1.042) 1.148 2.735 ( -0.000 -0.624 2.823) 2.891 2.827 ( -0.000 0.108 0.246) 0.269 2.843 ( 0.000 0.801 -1.039) 1.312 3.352 ( 0.000 0.925 -1.217) 1.528 3.442 ( 0.000 1.525 -2.415) 2.857 3.611 ( -0.000 4.967 3.199) 5.909 3.619 ( -0.000 3.219 1.063) 3.390 3.721 ( 0.000 0.357 -2.196) 2.225 3.783 ( -0.000 2.832 -0.702) 2.918 3.883 ( 0.000 0.561 -1.051) 1.191 3.904 ( -0.000 -0.339 0.205) 0.396 3.968 ( -0.000 -0.252 5.254) 5.260 4.076 ( 0.000 3.816 -3.714) 5.325 4.125 ( -0.000 -1.343 1.591) 2.082 4.259 ( 0.000 -1.967 -0.969) 2.192 4.324 ( -0.000 1.982 0.814) 2.143 4.538 ( 0.000 -7.481 -1.999) 7.744 5.159 ( -0.000 -3.385 3.333) 4.750 5.273 ( 0.000 -1.223 -0.274) 1.253 5.433 ( 0.000 3.289 -3.455) 4.770 5.936 ( 0.000 7.737 -3.378) 8.443 6.008 ( -0.000 -1.448 1.229) 1.899 6.217 ( -0.000 2.323 4.750) 5.288 6.604 ( 0.000 0.826 -5.076) 5.143 7.071 ( 0.000 3.487 -1.754) 3.903 7.340 ( -0.000 -2.217 5.495) 5.925 7.394 ( 0.000 0.031 -8.057) 8.057 7.558 ( -0.000 -2.886 21.373) 21.567 7.721 ( 0.000 1.338 -2.026) 2.428 7.848 ( 0.000 -1.219 -7.088) 7.192 7.924 ( -0.000 0.672 1.776) 1.898 8.316 ( 0.000 1.077 -1.215) 1.623 8.340 ( 0.000 -1.348 -3.197) 3.470 8.508 ( 0.000 -4.655 -3.355) 5.738 9.065 ( 0.000 -10.862 0.327) 10.867 ======================= Grid point 230 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -0.000 0.000 14.944) 14.944 0.479 ( -0.000 0.000 14.944) 14.944 0.780 ( 0.000 -0.000 -11.218) 11.218 0.780 ( 0.000 -0.000 -11.218) 11.218 0.937 ( -0.000 0.000 24.980) 24.980 1.206 ( -0.000 0.000 2.031) 2.031 1.206 ( -0.000 0.000 2.031) 2.031 1.250 ( 0.000 -0.000 -6.445) 6.445 1.283 ( -0.000 0.000 0.330) 0.330 1.341 ( -0.000 0.000 2.158) 2.158 1.402 ( 0.000 -0.000 -1.296) 1.296 1.402 ( 0.000 -0.000 -1.296) 1.296 1.576 ( -0.000 0.000 3.753) 3.753 1.578 ( 0.000 -0.000 -0.580) 0.580 1.578 ( 0.000 -0.000 -0.580) 0.580 1.717 ( -0.000 0.000 9.021) 9.021 1.811 ( -0.000 0.000 0.353) 0.353 1.811 ( -0.000 0.000 0.353) 0.353 1.823 ( 0.000 -0.000 -0.991) 0.991 1.823 ( 0.000 -0.000 -0.991) 0.991 1.971 ( 0.000 -0.000 -4.012) 4.012 2.110 ( -0.000 0.000 0.982) 0.982 2.110 ( -0.000 0.000 0.982) 0.982 2.179 ( 0.000 -0.000 -20.546) 20.546 2.693 ( -0.000 0.000 4.392) 4.392 2.799 ( 0.000 -0.000 -2.900) 2.900 2.805 ( -0.000 0.000 1.235) 1.235 2.805 ( -0.000 0.000 1.235) 1.235 3.269 ( -0.000 0.000 1.232) 1.232 3.269 ( -0.000 0.000 1.232) 1.232 3.311 ( 0.000 -0.000 -2.312) 2.312 3.311 ( 0.000 -0.000 -2.312) 2.312 3.757 ( 0.000 -0.000 -4.172) 4.172 3.757 ( 0.000 -0.000 -4.172) 4.172 3.888 ( -0.000 0.000 0.133) 0.133 3.888 ( -0.000 0.000 0.133) 0.133 3.894 ( -0.000 0.000 3.028) 3.028 4.169 ( -0.000 0.000 1.722) 1.722 4.169 ( -0.000 0.000 1.722) 1.722 4.215 ( -0.000 0.000 1.538) 1.538 4.529 ( 0.000 -0.000 -2.946) 2.946 5.012 ( -0.000 0.000 1.178) 1.178 5.182 ( -0.000 0.000 10.293) 10.293 5.182 ( -0.000 0.000 10.293) 10.293 5.378 ( 0.000 -0.000 -7.423) 7.423 5.378 ( 0.000 -0.000 -7.423) 7.423 6.085 ( 0.000 -0.000 -1.653) 1.653 6.085 ( 0.000 -0.000 -1.653) 1.653 6.589 ( 0.000 -0.000 -0.774) 0.774 6.589 ( 0.000 -0.000 -0.774) 0.774 7.396 ( -0.000 0.000 5.647) 5.647 7.396 ( -0.000 0.000 5.647) 5.647 7.688 ( 0.000 -0.000 -4.403) 4.403 7.688 ( 0.000 -0.000 -4.403) 4.403 7.873 ( -0.000 0.000 1.485) 1.485 8.032 ( 0.000 -0.000 -14.213) 14.213 8.335 ( -0.000 0.000 9.594) 9.594 8.466 ( -0.000 0.000 4.204) 4.204 9.082 ( 0.000 -0.000 -8.970) 8.970 9.502 ( -0.000 0.000 10.582) 10.582 ======================= Grid point 231 (61/65) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 4.929 2.846 13.345) 14.508 0.630 ( 6.892 3.979 11.195) 13.736 0.774 ( 3.071 1.773 -11.513) 12.047 0.791 ( 3.883 2.242 -9.139) 10.179 1.035 ( 1.439 0.831 14.851) 14.944 1.175 ( -0.759 -0.438 0.490) 1.004 1.219 ( 0.678 0.392 1.816) 1.977 1.255 ( -0.270 -0.156 -4.043) 4.055 1.312 ( 2.596 1.499 -0.382) 3.022 1.341 ( 0.117 0.067 -1.479) 1.485 1.391 ( -0.580 -0.335 -0.124) 0.681 1.425 ( 1.855 1.071 -0.650) 2.238 1.558 ( -1.914 -1.105 -0.738) 2.330 1.575 ( -0.299 -0.172 -0.056) 0.349 1.575 ( -0.294 -0.170 2.373) 2.397 1.637 ( -4.359 -2.517 16.315) 17.074 1.797 ( -1.082 -0.625 -0.420) 1.319 1.815 ( -0.141 -0.081 -0.900) 0.914 1.831 ( 0.545 0.315 -1.340) 1.480 1.866 ( 0.717 0.414 -0.912) 1.232 1.979 ( 1.525 0.881 -1.755) 2.486 2.079 ( -2.374 -1.371 -16.729) 16.952 2.106 ( -0.351 -0.202 1.805) 1.850 2.158 ( 2.194 1.267 -0.954) 2.708 2.707 ( -0.072 -0.042 3.250) 3.251 2.782 ( -0.498 -0.287 -2.691) 2.752 2.809 ( 0.144 0.083 0.697) 0.717 2.819 ( 0.457 0.264 0.536) 0.752 3.299 ( 1.105 0.638 -0.262) 1.302 3.313 ( 2.936 1.695 0.239) 3.399 3.344 ( 4.256 2.457 -0.234) 4.920 3.373 ( 5.666 3.272 0.924) 6.608 3.724 ( -1.149 -0.663 -0.458) 1.403 3.742 ( -0.233 -0.135 -2.990) 3.002 3.885 ( -0.274 -0.158 0.205) 0.377 3.895 ( 0.472 0.272 0.204) 0.582 3.910 ( 0.660 0.381 1.448) 1.636 4.143 ( -4.497 -2.596 0.510) 5.218 4.172 ( -0.429 -0.247 0.519) 0.717 4.177 ( 0.614 0.354 2.193) 2.304 4.471 ( -3.556 -2.053 -1.664) 4.431 4.896 ( -8.412 -4.857 2.747) 10.094 5.240 ( 1.062 0.613 10.139) 10.213 5.265 ( 1.568 0.905 7.704) 7.914 5.334 ( -0.671 -0.387 -8.272) 8.309 5.472 ( 9.915 5.724 -4.806) 12.416 6.072 ( -0.747 -0.431 -1.355) 1.606 6.116 ( 2.914 1.682 -3.692) 4.995 6.574 ( -0.514 -0.297 1.524) 1.635 6.734 ( 9.636 5.564 -0.838) 11.159 7.374 ( -2.326 -1.343 8.656) 9.063 7.425 ( -0.068 -0.039 1.164) 1.167 7.670 ( 0.200 0.116 -1.758) 1.773 7.676 ( 0.553 0.320 -2.335) 2.420 7.884 ( 0.185 0.107 1.526) 1.541 7.974 ( -1.147 -0.662 -12.437) 12.507 8.353 ( -1.447 -0.836 7.343) 7.531 8.435 ( -3.572 -2.062 2.566) 4.857 8.930 ( -8.504 -4.910 -13.116) 16.385 9.444 ( -7.356 -4.247 10.780) 13.724 ======================= Grid point 232 (62/65) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 7.409 4.278 8.912) 12.354 0.829 ( 5.353 3.091 -0.631) 6.214 0.842 ( 7.493 4.326 -1.453) 8.773 0.882 ( 5.723 3.304 -5.627) 8.680 1.092 ( 1.362 0.786 2.650) 3.082 1.184 ( 0.297 0.171 3.389) 3.406 1.232 ( -0.441 -0.255 0.294) 0.588 1.234 ( 0.031 0.018 -3.155) 3.155 1.307 ( -1.208 -0.697 -1.442) 2.006 1.377 ( -0.727 -0.420 2.351) 2.496 1.405 ( 3.961 2.287 -0.842) 4.650 1.473 ( 2.282 1.318 0.786) 2.750 1.488 ( -3.373 -1.947 -1.090) 4.044 1.566 ( -0.352 -0.203 -0.486) 0.633 1.598 ( 1.708 0.986 1.273) 2.347 1.657 ( 0.696 0.402 11.164) 11.193 1.768 ( -1.080 -0.623 -1.353) 1.840 1.782 ( -1.197 -0.691 -8.210) 8.326 1.833 ( -0.092 -0.053 -1.291) 1.295 1.859 ( -1.101 -0.636 2.046) 2.409 1.976 ( -3.050 -1.761 -3.850) 5.218 2.014 ( 1.434 0.828 -0.400) 1.704 2.105 ( -0.374 -0.216 3.469) 3.496 2.172 ( -0.534 -0.308 -2.726) 2.795 2.707 ( -0.595 -0.343 1.015) 1.226 2.758 ( -0.631 -0.364 -3.073) 3.158 2.822 ( 0.704 0.407 1.051) 1.329 2.825 ( 0.075 0.043 0.222) 0.238 3.325 ( 1.210 0.699 0.258) 1.421 3.385 ( 2.987 1.725 0.667) 3.514 3.477 ( 6.703 3.870 -0.292) 7.745 3.522 ( 5.719 3.302 0.912) 6.666 3.726 ( -0.468 -0.270 -1.067) 1.196 3.728 ( 1.417 0.818 1.478) 2.205 3.879 ( -0.217 -0.125 0.360) 0.438 3.905 ( 0.214 0.124 0.177) 0.304 3.946 ( 2.358 1.362 -0.070) 2.724 4.060 ( -2.126 -1.228 -1.716) 2.996 4.155 ( -0.987 -0.570 -0.745) 1.362 4.221 ( 2.052 1.185 4.719) 5.280 4.374 ( -3.875 -2.237 -2.274) 5.019 4.706 ( -8.248 -4.762 1.348) 9.619 5.238 ( -2.702 -1.560 -1.622) 3.516 5.287 ( -0.413 -0.239 2.040) 2.095 5.350 ( 3.032 1.750 2.347) 4.214 5.724 ( 10.710 6.184 1.343) 12.440 6.043 ( -1.317 -0.760 -1.154) 1.909 6.172 ( 3.042 1.756 -4.459) 5.676 6.578 ( 0.114 0.066 3.838) 3.840 6.943 ( 7.673 4.430 0.563) 8.878 7.366 ( -1.252 -0.723 11.575) 11.665 7.399 ( -1.522 -0.879 -3.958) 4.331 7.673 ( -0.002 -0.001 -14.137) 14.137 7.687 ( 1.104 0.638 1.525) 1.988 7.869 ( -2.427 -1.401 2.403) 3.692 7.920 ( 0.271 0.157 -4.460) 4.471 8.326 ( -1.996 -1.153 3.539) 4.223 8.361 ( -2.506 -1.447 1.640) 3.326 8.678 ( -9.005 -5.199 -7.116) 12.600 9.275 ( -9.553 -5.516 6.582) 12.846 ======================= Grid point 240 (63/65) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 5.804 12.538) 13.816 0.651 ( -0.000 6.422 7.061) 9.544 0.743 ( 0.000 4.225 -7.765) 8.840 0.757 ( 0.000 4.903 -9.720) 10.887 1.083 ( -0.000 0.609 8.164) 8.187 1.160 ( -0.000 -1.276 2.462) 2.773 1.227 ( -0.000 0.795 0.197) 0.819 1.248 ( 0.000 0.432 -4.348) 4.369 1.309 ( -0.000 2.602 1.008) 2.790 1.336 ( 0.000 -0.133 -1.698) 1.703 1.397 ( 0.000 0.041 -1.280) 1.280 1.420 ( -0.000 2.264 0.266) 2.279 1.549 ( -0.000 -2.794 1.082) 2.996 1.571 ( -0.000 -0.507 0.619) 0.800 1.590 ( 0.000 0.078 -0.449) 0.456 1.690 ( -0.000 -5.022 15.177) 15.986 1.793 ( 0.000 -1.829 0.366) 1.865 1.794 ( 0.000 -1.534 -2.276) 2.745 1.820 ( -0.000 0.508 0.479) 0.698 1.884 ( 0.000 1.586 -3.364) 3.719 1.974 ( 0.000 1.961 -0.880) 2.149 2.035 ( 0.000 -0.894 -12.084) 12.117 2.121 ( 0.000 0.361 -0.962) 1.028 2.146 ( -0.000 1.786 1.573) 2.380 2.718 ( -0.000 -0.109 2.141) 2.143 2.769 ( 0.000 -1.196 -1.190) 1.687 2.814 ( 0.000 0.434 -0.256) 0.504 2.820 ( -0.000 0.570 0.317) 0.652 3.293 ( -0.000 1.423 0.912) 1.690 3.316 ( -0.000 2.946 -0.242) 2.956 3.346 ( -0.000 4.785 -0.547) 4.816 3.374 ( -0.000 7.087 0.939) 7.149 3.723 ( 0.000 -0.704 -0.300) 0.766 3.735 ( 0.000 -0.172 -1.725) 1.734 3.886 ( 0.000 -0.245 -0.074) 0.256 3.895 ( -0.000 0.557 0.168) 0.582 3.915 ( -0.000 0.650 0.726) 0.974 4.124 ( -0.000 -5.685 3.198) 6.523 4.168 ( -0.000 -0.837 1.222) 1.481 4.208 ( 0.000 1.488 -2.483) 2.895 4.466 ( 0.000 -4.255 -0.922) 4.354 4.905 ( 0.000 -9.246 0.779) 9.278 5.240 ( -0.000 -0.833 9.472) 9.509 5.294 ( -0.000 0.048 3.767) 3.767 5.338 ( 0.000 1.231 -8.448) 8.537 5.458 ( -0.000 14.168 -3.718) 14.648 6.066 ( 0.000 -1.008 -0.367) 1.072 6.097 ( -0.000 1.996 -0.216) 2.008 6.594 ( 0.000 0.478 -2.275) 2.325 6.721 ( -0.000 11.176 1.739) 11.310 7.402 ( -0.000 -1.640 4.976) 5.239 7.429 ( 0.000 -0.148 -0.365) 0.394 7.632 ( -0.000 -3.034 4.923) 5.783 7.679 ( 0.000 1.044 -3.112) 3.283 7.892 ( -0.000 -0.001 2.865) 2.865 7.943 ( 0.000 -0.325 -9.849) 9.855 8.382 ( -0.000 -1.722 5.747) 6.000 8.444 ( 0.000 -3.870 -1.310) 4.086 8.889 ( 0.000 -10.123 -8.243) 13.054 9.474 ( -0.000 -8.204 5.965) 10.143 ======================= Grid point 241 (64/65) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 3.776 6.540 -0.000) 7.552 0.773 ( 3.587 6.213 0.000) 7.174 0.806 ( 3.269 5.663 0.000) 6.539 0.836 ( 4.098 7.098 -0.000) 8.196 1.095 ( 0.471 0.815 0.000) 0.941 1.174 ( 0.388 0.672 -0.000) 0.776 1.234 ( -0.250 -0.433 -0.000) 0.500 1.251 ( 0.430 0.745 -0.000) 0.860 1.313 ( -0.435 -0.753 -0.000) 0.870 1.361 ( 1.371 2.374 0.000) 2.742 1.404 ( 0.613 1.062 -0.000) 1.226 1.443 ( 0.504 0.873 -0.000) 1.007 1.530 ( -0.949 -1.644 -0.000) 1.899 1.543 ( -0.409 -0.709 -0.000) 0.819 1.597 ( 0.312 0.540 -0.000) 0.624 1.679 ( -0.809 -1.402 -0.000) 1.619 1.767 ( -0.546 -0.946 0.000) 1.092 1.772 ( -0.907 -1.571 -0.000) 1.814 1.824 ( -0.062 -0.107 0.000) 0.124 1.874 ( -0.362 -0.628 0.000) 0.725 1.990 ( -1.154 -1.998 -0.000) 2.307 2.004 ( 1.033 1.789 -0.000) 2.066 2.118 ( -0.003 -0.005 -0.000) 0.005 2.165 ( -0.092 -0.159 -0.000) 0.184 2.719 ( -0.091 -0.158 0.000) 0.183 2.750 ( -0.686 -1.189 -0.000) 1.373 2.818 ( 0.287 0.496 -0.000) 0.573 2.827 ( 0.129 0.223 -0.000) 0.257 3.321 ( 0.915 1.584 -0.000) 1.829 3.366 ( 1.978 3.425 -0.000) 3.955 3.433 ( 3.532 6.118 -0.000) 7.064 3.486 ( 3.481 6.029 -0.000) 6.962 3.724 ( 0.548 0.949 -0.000) 1.096 3.729 ( -0.101 -0.175 -0.000) 0.202 3.879 ( -0.258 -0.447 -0.000) 0.517 3.907 ( 0.464 0.803 -0.000) 0.927 3.933 ( 0.958 1.660 -0.000) 1.916 4.062 ( -1.891 -3.275 -0.000) 3.781 4.189 ( 0.147 0.255 -0.000) 0.294 4.197 ( 0.530 0.918 0.000) 1.060 4.394 ( -2.552 -4.421 -0.000) 5.105 4.759 ( -5.073 -8.787 -0.000) 10.146 5.259 ( -1.126 -1.950 -0.000) 2.252 5.275 ( -0.493 -0.854 -0.000) 0.986 5.363 ( 2.297 3.978 0.000) 4.594 5.643 ( 6.039 10.460 -0.000) 12.078 6.073 ( 0.250 0.434 -0.000) 0.501 6.120 ( 0.841 1.457 -0.000) 1.683 6.599 ( 0.656 1.137 -0.000) 1.313 6.883 ( 4.798 8.311 -0.000) 9.597 7.390 ( -1.010 -1.750 -0.000) 2.020 7.410 ( -0.417 -0.723 0.000) 0.835 7.649 ( 0.126 0.219 -0.000) 0.253 7.665 ( -0.521 -0.903 0.000) 1.043 7.899 ( -0.519 -0.898 0.000) 1.037 7.909 ( 0.191 0.330 -0.000) 0.381 8.353 ( -1.535 -2.659 -0.000) 3.070 8.378 ( -1.774 -3.073 0.000) 3.548 8.718 ( -5.384 -9.326 -0.000) 10.769 9.344 ( -5.357 -9.279 -0.000) 10.714 ======================= Grid point 314 (65/65) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.25e-05 1.25e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -0.000 0.000 0.000) 0.000 0.598 ( -0.000 0.000 0.000) 0.000 0.682 ( 0.000 -0.000 -0.000) 0.000 0.682 ( 0.000 -0.000 -0.000) 0.000 1.109 ( -0.000 0.000 0.000) 0.000 1.174 ( -0.000 0.000 0.000) 0.000 1.217 ( -0.000 0.000 0.000) 0.000 1.217 ( -0.000 0.000 0.000) 0.000 1.283 ( 0.000 -0.000 -0.000) 0.000 1.346 ( -0.000 0.000 0.000) 0.000 1.394 ( -0.000 0.000 0.000) 0.000 1.394 ( -0.000 0.000 0.000) 0.000 1.575 ( -0.000 0.000 0.000) 0.000 1.575 ( -0.000 0.000 0.000) 0.000 1.597 ( -0.000 0.000 0.000) 0.000 1.811 ( 0.000 -0.000 -0.000) 0.000 1.811 ( 0.000 -0.000 -0.000) 0.000 1.820 ( -0.000 0.000 0.000) 0.000 1.820 ( -0.000 0.000 0.000) 0.000 1.831 ( -0.000 0.000 0.000) 0.000 1.948 ( -0.000 0.000 0.000) 0.000 2.010 ( 0.000 -0.000 -0.000) 0.000 2.115 ( -0.000 0.000 0.000) 0.000 2.115 ( -0.000 0.000 0.000) 0.000 2.723 ( -0.000 0.000 0.000) 0.000 2.777 ( -0.000 0.000 0.000) 0.000 2.812 ( -0.000 0.000 0.000) 0.000 2.812 ( -0.000 0.000 0.000) 0.000 3.283 ( 0.000 -0.000 -0.000) 0.000 3.283 ( 0.000 -0.000 -0.000) 0.000 3.291 ( -0.000 0.000 0.000) 0.000 3.291 ( -0.000 0.000 0.000) 0.000 3.734 ( -0.000 0.000 0.000) 0.000 3.734 ( -0.000 0.000 0.000) 0.000 3.889 ( -0.000 0.000 0.000) 0.000 3.889 ( -0.000 0.000 0.000) 0.000 3.912 ( -0.000 0.000 0.000) 0.000 4.179 ( -0.000 0.000 0.000) 0.000 4.179 ( -0.000 0.000 0.000) 0.000 4.225 ( -0.000 0.000 0.000) 0.000 4.511 ( -0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.273 ( -0.000 0.000 0.000) 0.000 5.273 ( -0.000 0.000 0.000) 0.000 5.303 ( 0.000 -0.000 -0.000) 0.000 5.303 ( 0.000 -0.000 -0.000) 0.000 6.076 ( -0.000 0.000 0.000) 0.000 6.076 ( -0.000 0.000 0.000) 0.000 6.586 ( -0.000 0.000 0.000) 0.000 6.586 ( -0.000 0.000 0.000) 0.000 7.430 ( -0.000 0.000 0.000) 0.000 7.430 ( -0.000 0.000 0.000) 0.000 7.661 ( -0.000 0.000 0.000) 0.000 7.661 ( -0.000 0.000 0.000) 0.000 7.902 ( 0.000 -0.000 -0.000) 0.000 7.928 ( -0.000 0.000 0.000) 0.000 8.419 ( -0.000 0.000 0.000) 0.000 8.490 ( 0.000 -0.000 -0.000) 0.000 8.991 ( -0.000 0.000 0.000) 0.000 9.574 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30720 10.0 5.966 5.966 5.768 0.000 -0.000 -0.000 3/30720 20.0 1.736 1.736 1.797 0.000 -0.000 -0.000 3/30720 30.0 0.978 0.978 1.050 0.000 -0.000 -0.000 3/30720 40.0 0.678 0.678 0.745 0.000 -0.000 -0.000 3/30720 50.0 0.519 0.519 0.579 0.000 -0.000 -0.000 3/30720 60.0 0.420 0.420 0.475 0.000 -0.000 -0.000 3/30720 70.0 0.353 0.353 0.404 0.000 -0.000 -0.000 3/30720 80.0 0.305 0.305 0.353 0.000 -0.000 -0.000 3/30720 90.0 0.269 0.269 0.314 0.000 -0.000 -0.000 3/30720 100.0 0.240 0.240 0.283 0.000 -0.000 -0.000 3/30720 110.0 0.217 0.217 0.258 0.000 -0.000 -0.000 3/30720 120.0 0.199 0.199 0.237 0.000 -0.000 -0.000 3/30720 130.0 0.183 0.183 0.220 0.000 -0.000 -0.000 3/30720 140.0 0.170 0.170 0.205 0.000 -0.000 -0.000 3/30720 150.0 0.158 0.158 0.192 0.000 -0.000 -0.000 3/30720 160.0 0.148 0.148 0.181 0.000 -0.000 -0.000 3/30720 170.0 0.139 0.139 0.171 0.000 -0.000 -0.000 3/30720 180.0 0.131 0.131 0.162 0.000 -0.000 -0.000 3/30720 190.0 0.124 0.124 0.154 0.000 -0.000 -0.000 3/30720 200.0 0.118 0.118 0.146 0.000 -0.000 -0.000 3/30720 210.0 0.112 0.112 0.140 0.000 -0.000 -0.000 3/30720 220.0 0.107 0.107 0.134 0.000 -0.000 -0.000 3/30720 230.0 0.103 0.103 0.128 0.000 -0.000 -0.000 3/30720 240.0 0.098 0.098 0.123 0.000 -0.000 -0.000 3/30720 250.0 0.094 0.094 0.118 0.000 -0.000 -0.000 3/30720 260.0 0.091 0.091 0.114 0.000 -0.000 -0.000 3/30720 270.0 0.087 0.087 0.110 0.000 -0.000 -0.000 3/30720 280.0 0.084 0.084 0.106 0.000 -0.000 -0.000 3/30720 290.0 0.081 0.081 0.102 0.000 -0.000 -0.000 3/30720 300.0 0.079 0.079 0.099 0.000 -0.000 -0.000 3/30720 310.0 0.076 0.076 0.096 0.000 -0.000 -0.000 3/30720 320.0 0.074 0.074 0.093 0.000 -0.000 -0.000 3/30720 330.0 0.072 0.072 0.090 0.000 -0.000 -0.000 3/30720 340.0 0.069 0.069 0.088 0.000 -0.000 -0.000 3/30720 350.0 0.067 0.067 0.085 0.000 -0.000 -0.000 3/30720 360.0 0.066 0.066 0.083 0.000 -0.000 -0.000 3/30720 370.0 0.064 0.064 0.081 0.000 -0.000 -0.000 3/30720 380.0 0.062 0.062 0.079 0.000 -0.000 -0.000 3/30720 390.0 0.061 0.061 0.077 0.000 -0.000 -0.000 3/30720 400.0 0.059 0.059 0.075 0.000 -0.000 -0.000 3/30720 410.0 0.058 0.058 0.073 0.000 -0.000 -0.000 3/30720 420.0 0.056 0.056 0.071 0.000 -0.000 -0.000 3/30720 430.0 0.055 0.055 0.070 0.000 -0.000 -0.000 3/30720 440.0 0.054 0.054 0.068 0.000 -0.000 -0.000 3/30720 450.0 0.052 0.052 0.067 0.000 -0.000 -0.000 3/30720 460.0 0.051 0.051 0.065 0.000 -0.000 -0.000 3/30720 470.0 0.050 0.050 0.064 0.000 -0.000 -0.000 3/30720 480.0 0.049 0.049 0.063 0.000 -0.000 -0.000 3/30720 490.0 0.048 0.048 0.061 0.000 -0.000 -0.000 3/30720 500.0 0.047 0.047 0.060 0.000 -0.000 -0.000 3/30720 510.0 0.046 0.046 0.059 0.000 -0.000 -0.000 3/30720 520.0 0.045 0.045 0.058 0.000 -0.000 -0.000 3/30720 530.0 0.045 0.045 0.057 0.000 -0.000 -0.000 3/30720 540.0 0.044 0.044 0.056 0.000 -0.000 -0.000 3/30720 550.0 0.043 0.043 0.055 0.000 -0.000 -0.000 3/30720 560.0 0.042 0.042 0.054 0.000 -0.000 -0.000 3/30720 570.0 0.041 0.041 0.053 0.000 -0.000 -0.000 3/30720 580.0 0.041 0.041 0.052 0.000 -0.000 -0.000 3/30720 590.0 0.040 0.040 0.051 0.000 -0.000 -0.000 3/30720 600.0 0.039 0.039 0.050 0.000 -0.000 -0.000 3/30720 610.0 0.039 0.039 0.049 0.000 -0.000 -0.000 3/30720 620.0 0.038 0.038 0.049 0.000 -0.000 -0.000 3/30720 630.0 0.038 0.038 0.048 0.000 -0.000 -0.000 3/30720 640.0 0.037 0.037 0.047 0.000 -0.000 -0.000 3/30720 650.0 0.036 0.036 0.046 0.000 -0.000 -0.000 3/30720 660.0 0.036 0.036 0.046 0.000 -0.000 -0.000 3/30720 670.0 0.035 0.035 0.045 0.000 -0.000 -0.000 3/30720 680.0 0.035 0.035 0.044 0.000 -0.000 -0.000 3/30720 690.0 0.034 0.034 0.044 0.000 -0.000 -0.000 3/30720 700.0 0.034 0.034 0.043 0.000 -0.000 -0.000 3/30720 710.0 0.033 0.033 0.042 0.000 -0.000 -0.000 3/30720 720.0 0.033 0.033 0.042 0.000 -0.000 -0.000 3/30720 730.0 0.032 0.032 0.041 0.000 -0.000 -0.000 3/30720 740.0 0.032 0.032 0.041 0.000 -0.000 -0.000 3/30720 750.0 0.032 0.032 0.040 0.000 -0.000 -0.000 3/30720 760.0 0.031 0.031 0.040 0.000 -0.000 -0.000 3/30720 770.0 0.031 0.031 0.039 0.000 -0.000 -0.000 3/30720 780.0 0.030 0.030 0.039 0.000 -0.000 -0.000 3/30720 790.0 0.030 0.030 0.038 0.000 -0.000 -0.000 3/30720 800.0 0.030 0.030 0.038 0.000 -0.000 -0.000 3/30720 810.0 0.029 0.029 0.037 0.000 -0.000 -0.000 3/30720 820.0 0.029 0.029 0.037 0.000 -0.000 -0.000 3/30720 830.0 0.028 0.028 0.036 0.000 -0.000 -0.000 3/30720 840.0 0.028 0.028 0.036 0.000 -0.000 -0.000 3/30720 850.0 0.028 0.028 0.036 0.000 -0.000 -0.000 3/30720 860.0 0.027 0.027 0.035 0.000 -0.000 -0.000 3/30720 870.0 0.027 0.027 0.035 0.000 -0.000 -0.000 3/30720 880.0 0.027 0.027 0.034 0.000 -0.000 -0.000 3/30720 890.0 0.027 0.027 0.034 0.000 -0.000 -0.000 3/30720 900.0 0.026 0.026 0.034 0.000 -0.000 -0.000 3/30720 910.0 0.026 0.026 0.033 0.000 -0.000 -0.000 3/30720 920.0 0.026 0.026 0.033 0.000 -0.000 -0.000 3/30720 930.0 0.025 0.025 0.032 0.000 -0.000 -0.000 3/30720 940.0 0.025 0.025 0.032 0.000 -0.000 -0.000 3/30720 950.0 0.025 0.025 0.032 0.000 -0.000 -0.000 3/30720 960.0 0.025 0.025 0.031 0.000 -0.000 -0.000 3/30720 970.0 0.024 0.024 0.031 0.000 -0.000 -0.000 3/30720 980.0 0.024 0.024 0.031 0.000 -0.000 -0.000 3/30720 990.0 0.024 0.024 0.031 0.000 -0.000 -0.000 3/30720 1000.0 0.024 0.024 0.030 0.000 -0.000 -0.000 3/30720 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:32:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|