----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:16:19]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.539224570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.596977149999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.428929170000000 Atomic positions (fractional): *1 O 0.93097550727816 0.25000000000000 0.92262850159271 15.999 2 O 0.06902449272184 0.75000000000000 0.07737149840729 15.999 3 O 0.43097550727816 0.25000000000000 0.57737149840729 15.999 4 O 0.56902449272184 0.75000000000000 0.42262850159271 15.999 *5 O 0.01304106505994 0.25000000000000 0.28228149123992 15.999 6 O 0.98695893494007 0.75000000000000 0.71771850876008 15.999 7 O 0.51304106505993 0.25000000000000 0.21771850876008 15.999 8 O 0.48695893494006 0.75000000000000 0.78228149123992 15.999 *9 O 0.62399082361053 0.25000000000000 0.98305237261587 15.999 10 O 0.37600917638947 0.75000000000000 0.01694762738413 15.999 11 O 0.12399082361053 0.25000000000000 0.51694762738413 15.999 12 O 0.87600917638947 0.75000000000000 0.48305237261587 15.999 *13 O 0.78690838989146 0.75000000000000 0.17194567677882 15.999 14 O 0.21309161010854 0.25000000000000 0.82805432322118 15.999 15 O 0.28690838989146 0.75000000000000 0.32805432322118 15.999 16 O 0.71309161010854 0.25000000000000 0.67194567677882 15.999 *17 Ba 0.25010875518447 0.75000000000000 0.64791954453755 137.327 18 Ba 0.74989124481553 0.25000000000000 0.35208045546245 137.327 19 Ba 0.75010875518447 0.75000000000000 0.85208045546245 137.327 20 Ba 0.24989124481553 0.25000000000000 0.14791954453755 137.327 *21 Nd 0.92554590974103 0.25000000000000 0.61276255841785 144.242 22 Nd 0.07445409025897 0.75000000000000 0.38723744158215 144.242 23 Nd 0.42554590974103 0.25000000000000 0.88723744158215 144.242 24 Nd 0.57445409025897 0.75000000000000 0.11276255841785 144.242 *25 Nd 0.58202721324493 0.75000000000000 0.61046715217956 144.242 26 Nd 0.41797278675507 0.25000000000000 0.38953284782044 144.242 27 Nd 0.08202721324493 0.75000000000000 0.88953284782044 144.242 28 Nd 0.91797278675507 0.25000000000000 0.11046715217956 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.539224570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.596977149999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.428929170000000 Atomic positions (fractional): *1 O 0.93097550727816 0.25000000000000 0.92262850159271 15.999 > 1 2 O 0.06902449272184 0.75000000000000 0.07737149840729 15.999 > 2 3 O 0.43097550727816 0.25000000000000 0.57737149840729 15.999 > 3 4 O 0.56902449272184 0.75000000000000 0.42262850159271 15.999 > 4 *5 O 0.01304106505994 0.25000000000000 0.28228149123992 15.999 > 5 6 O 0.98695893494007 0.75000000000000 0.71771850876008 15.999 > 6 7 O 0.51304106505993 0.25000000000000 0.21771850876008 15.999 > 7 8 O 0.48695893494006 0.75000000000000 0.78228149123992 15.999 > 8 *9 O 0.62399082361053 0.25000000000000 0.98305237261587 15.999 > 9 10 O 0.37600917638947 0.75000000000000 0.01694762738413 15.999 > 10 11 O 0.12399082361053 0.25000000000000 0.51694762738413 15.999 > 11 12 O 0.87600917638947 0.75000000000000 0.48305237261587 15.999 > 12 *13 O 0.78690838989146 0.75000000000000 0.17194567677882 15.999 > 13 14 O 0.21309161010854 0.25000000000000 0.82805432322118 15.999 > 14 15 O 0.28690838989146 0.75000000000000 0.32805432322118 15.999 > 15 16 O 0.71309161010854 0.25000000000000 0.67194567677882 15.999 > 16 *17 Ba 0.25010875518447 0.75000000000000 0.64791954453755 137.327 > 17 18 Ba 0.74989124481553 0.25000000000000 0.35208045546245 137.327 > 18 19 Ba 0.75010875518447 0.75000000000000 0.85208045546245 137.327 > 19 20 Ba 0.24989124481553 0.25000000000000 0.14791954453755 137.327 > 20 *21 Nd 0.92554590974103 0.25000000000000 0.61276255841785 144.242 > 21 22 Nd 0.07445409025897 0.75000000000000 0.38723744158215 144.242 > 22 23 Nd 0.42554590974103 0.25000000000000 0.88723744158215 144.242 > 23 24 Nd 0.57445409025897 0.75000000000000 0.11276255841785 144.242 > 24 *25 Nd 0.58202721324493 0.75000000000000 0.61046715217956 144.242 > 25 26 Nd 0.41797278675507 0.25000000000000 0.38953284782044 144.242 > 26 27 Nd 0.08202721324493 0.75000000000000 0.88953284782044 144.242 > 27 28 Nd 0.91797278675507 0.25000000000000 0.11046715217956 144.242 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.539224570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790931449999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.428929170000000 Atomic positions (fractional): *1 O 0.93097550727816 0.08333333333333 0.92262850159271 15.999 > 1 2 O 0.93097550727816 0.41666666666667 0.92262850159271 15.999 > 1 3 O 0.93097550727816 0.75000000000000 0.92262850159271 15.999 > 1 4 O 0.06902449272184 0.25000000000000 0.07737149840729 15.999 > 2 5 O 0.06902449272184 0.58333333333333 0.07737149840729 15.999 > 2 6 O 0.06902449272184 0.91666666666667 0.07737149840729 15.999 > 2 7 O 0.43097550727816 0.08333333333333 0.57737149840729 15.999 > 3 8 O 0.43097550727816 0.41666666666667 0.57737149840729 15.999 > 3 9 O 0.43097550727816 0.75000000000000 0.57737149840729 15.999 > 3 10 O 0.56902449272184 0.25000000000000 0.42262850159271 15.999 > 4 11 O 0.56902449272184 0.58333333333333 0.42262850159271 15.999 > 4 12 O 0.56902449272184 0.91666666666667 0.42262850159271 15.999 > 4 *13 O 0.01304106505994 0.08333333333333 0.28228149123992 15.999 > 5 14 O 0.01304106505994 0.41666666666667 0.28228149123992 15.999 > 5 15 O 0.01304106505994 0.75000000000000 0.28228149123992 15.999 > 5 16 O 0.98695893494007 0.25000000000000 0.71771850876008 15.999 > 6 17 O 0.98695893494007 0.58333333333333 0.71771850876008 15.999 > 6 18 O 0.98695893494007 0.91666666666667 0.71771850876008 15.999 > 6 19 O 0.51304106505993 0.08333333333333 0.21771850876008 15.999 > 7 20 O 0.51304106505993 0.41666666666667 0.21771850876008 15.999 > 7 21 O 0.51304106505993 0.75000000000000 0.21771850876008 15.999 > 7 22 O 0.48695893494006 0.25000000000000 0.78228149123992 15.999 > 8 23 O 0.48695893494006 0.58333333333333 0.78228149123992 15.999 > 8 24 O 0.48695893494006 0.91666666666667 0.78228149123992 15.999 > 8 *25 O 0.62399082361053 0.08333333333333 0.98305237261587 15.999 > 9 26 O 0.62399082361053 0.41666666666667 0.98305237261587 15.999 > 9 27 O 0.62399082361053 0.75000000000000 0.98305237261587 15.999 > 9 28 O 0.37600917638947 0.25000000000000 0.01694762738413 15.999 > 10 29 O 0.37600917638947 0.58333333333333 0.01694762738413 15.999 > 10 30 O 0.37600917638947 0.91666666666667 0.01694762738413 15.999 > 10 31 O 0.12399082361053 0.08333333333333 0.51694762738413 15.999 > 11 32 O 0.12399082361053 0.41666666666667 0.51694762738413 15.999 > 11 33 O 0.12399082361053 0.75000000000000 0.51694762738413 15.999 > 11 34 O 0.87600917638947 0.25000000000000 0.48305237261587 15.999 > 12 35 O 0.87600917638947 0.58333333333333 0.48305237261587 15.999 > 12 36 O 0.87600917638947 0.91666666666667 0.48305237261587 15.999 > 12 *37 O 0.78690838989146 0.25000000000000 0.17194567677882 15.999 > 13 38 O 0.78690838989146 0.58333333333333 0.17194567677882 15.999 > 13 39 O 0.78690838989146 0.91666666666667 0.17194567677882 15.999 > 13 40 O 0.21309161010854 0.08333333333333 0.82805432322118 15.999 > 14 41 O 0.21309161010854 0.41666666666667 0.82805432322118 15.999 > 14 42 O 0.21309161010854 0.75000000000000 0.82805432322118 15.999 > 14 43 O 0.28690838989146 0.25000000000000 0.32805432322118 15.999 > 15 44 O 0.28690838989146 0.58333333333333 0.32805432322118 15.999 > 15 45 O 0.28690838989146 0.91666666666667 0.32805432322118 15.999 > 15 46 O 0.71309161010854 0.08333333333333 0.67194567677882 15.999 > 16 47 O 0.71309161010854 0.41666666666667 0.67194567677882 15.999 > 16 48 O 0.71309161010854 0.75000000000000 0.67194567677882 15.999 > 16 *49 Ba 0.25010875518447 0.25000000000000 0.64791954453755 137.327 > 17 50 Ba 0.25010875518447 0.58333333333333 0.64791954453755 137.327 > 17 51 Ba 0.25010875518447 0.91666666666667 0.64791954453755 137.327 > 17 52 Ba 0.74989124481553 0.08333333333333 0.35208045546245 137.327 > 18 53 Ba 0.74989124481553 0.41666666666667 0.35208045546245 137.327 > 18 54 Ba 0.74989124481553 0.75000000000000 0.35208045546245 137.327 > 18 55 Ba 0.75010875518447 0.25000000000000 0.85208045546245 137.327 > 19 56 Ba 0.75010875518447 0.58333333333333 0.85208045546245 137.327 > 19 57 Ba 0.75010875518447 0.91666666666667 0.85208045546245 137.327 > 19 58 Ba 0.24989124481553 0.08333333333333 0.14791954453755 137.327 > 20 59 Ba 0.24989124481553 0.41666666666667 0.14791954453755 137.327 > 20 60 Ba 0.24989124481553 0.75000000000000 0.14791954453755 137.327 > 20 *61 Nd 0.92554590974103 0.08333333333333 0.61276255841785 144.242 > 21 62 Nd 0.92554590974103 0.41666666666667 0.61276255841785 144.242 > 21 63 Nd 0.92554590974103 0.75000000000000 0.61276255841785 144.242 > 21 64 Nd 0.07445409025897 0.25000000000000 0.38723744158215 144.242 > 22 65 Nd 0.07445409025897 0.58333333333333 0.38723744158215 144.242 > 22 66 Nd 0.07445409025897 0.91666666666667 0.38723744158215 144.242 > 22 67 Nd 0.42554590974103 0.08333333333333 0.88723744158215 144.242 > 23 68 Nd 0.42554590974103 0.41666666666667 0.88723744158215 144.242 > 23 69 Nd 0.42554590974103 0.75000000000000 0.88723744158215 144.242 > 23 70 Nd 0.57445409025897 0.25000000000000 0.11276255841785 144.242 > 24 71 Nd 0.57445409025897 0.58333333333333 0.11276255841785 144.242 > 24 72 Nd 0.57445409025897 0.91666666666667 0.11276255841785 144.242 > 24 *73 Nd 0.58202721324493 0.25000000000000 0.61046715217956 144.242 > 25 74 Nd 0.58202721324493 0.58333333333333 0.61046715217956 144.242 > 25 75 Nd 0.58202721324493 0.91666666666667 0.61046715217956 144.242 > 25 76 Nd 0.41797278675507 0.08333333333333 0.38953284782044 144.242 > 26 77 Nd 0.41797278675507 0.41666666666667 0.38953284782044 144.242 > 26 78 Nd 0.41797278675507 0.75000000000000 0.38953284782044 144.242 > 26 79 Nd 0.08202721324493 0.25000000000000 0.88953284782044 144.242 > 27 80 Nd 0.08202721324493 0.58333333333333 0.88953284782044 144.242 > 27 81 Nd 0.08202721324493 0.91666666666667 0.88953284782044 144.242 > 27 82 Nd 0.91797278675507 0.08333333333333 0.11046715217956 144.242 > 28 83 Nd 0.91797278675507 0.41666666666667 0.11046715217956 144.242 > 28 84 Nd 0.91797278675507 0.75000000000000 0.11046715217956 144.242 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5324958 0.0000000 0.0000000 0.0000000 4.7360409 0.0000000 0.0000000 0.0000000 4.6146798 -------------------------- Born effective charges -------------------------- 1 O -2.5310296 0.0000000 -0.0483003 0.0000000 -2.8453532 0.0000000 0.0994812 0.0000000 -2.5949447 2 O -2.5310296 0.0000000 -0.0483003 0.0000000 -2.8453532 0.0000000 0.0994812 0.0000000 -2.5949447 3 O -2.5310296 0.0000000 0.0483003 0.0000000 -2.8453532 0.0000000 -0.0994812 0.0000000 -2.5949447 4 O -2.5310296 0.0000000 0.0483003 0.0000000 -2.8453532 0.0000000 -0.0994812 0.0000000 -2.5949447 5 O -2.1510999 0.0000000 -0.4138537 0.0000000 -2.7462389 0.0000000 -0.5629753 0.0000000 -3.1790229 6 O -2.1510999 0.0000000 -0.4138537 0.0000000 -2.7462389 0.0000000 -0.5629753 0.0000000 -3.1790229 7 O -2.1510999 0.0000000 0.4138537 0.0000000 -2.7462389 0.0000000 0.5629753 0.0000000 -3.1790229 8 O -2.1510999 0.0000000 0.4138537 0.0000000 -2.7462389 0.0000000 0.5629753 0.0000000 -3.1790229 9 O -2.4967563 0.0000000 0.0734569 0.0000000 -2.7863525 0.0000000 0.0509625 0.0000000 -2.6421051 10 O -2.4967563 0.0000000 0.0734569 0.0000000 -2.7863525 0.0000000 0.0509625 0.0000000 -2.6421051 11 O -2.4967563 0.0000000 -0.0734569 0.0000000 -2.7863525 0.0000000 -0.0509625 0.0000000 -2.6421051 12 O -2.4967563 0.0000000 -0.0734569 0.0000000 -2.7863525 0.0000000 -0.0509625 0.0000000 -2.6421051 13 O -3.0513172 0.0000000 0.0860526 0.0000000 -2.8580980 0.0000000 0.0842539 0.0000000 -2.1714167 14 O -3.0513172 0.0000000 0.0860526 0.0000000 -2.8580980 0.0000000 0.0842539 0.0000000 -2.1714167 15 O -3.0513172 0.0000000 -0.0860526 0.0000000 -2.8580980 0.0000000 -0.0842539 0.0000000 -2.1714167 16 O -3.0513172 0.0000000 -0.0860526 0.0000000 -2.8580980 0.0000000 -0.0842539 0.0000000 -2.1714167 17 Ba 2.8116785 0.0000000 0.0915879 0.0000000 2.5843834 0.0000000 0.0295885 0.0000000 2.5904983 18 Ba 2.8116785 0.0000000 0.0915879 0.0000000 2.5843834 0.0000000 0.0295885 0.0000000 2.5904983 19 Ba 2.8116785 0.0000000 -0.0915879 0.0000000 2.5843834 0.0000000 -0.0295885 0.0000000 2.5904983 20 Ba 2.8116785 0.0000000 -0.0915879 0.0000000 2.5843834 0.0000000 -0.0295885 0.0000000 2.5904983 21 Nd 3.7608037 0.0000000 -0.2416433 0.0000000 4.4547395 0.0000000 -0.1258350 0.0000000 3.7657407 22 Nd 3.7608037 0.0000000 -0.2416433 0.0000000 4.4547395 0.0000000 -0.1258350 0.0000000 3.7657407 23 Nd 3.7608037 0.0000000 0.2416433 0.0000000 4.4547395 0.0000000 0.1258350 0.0000000 3.7657407 24 Nd 3.7608037 0.0000000 0.2416433 0.0000000 4.4547395 0.0000000 0.1258350 0.0000000 3.7657407 25 Nd 3.6577207 0.0000000 0.2093890 0.0000000 4.1969197 0.0000000 0.1394825 0.0000000 4.2312503 26 Nd 3.6577207 0.0000000 0.2093890 0.0000000 4.1969197 0.0000000 0.1394825 0.0000000 4.2312503 27 Nd 3.6577207 0.0000000 -0.2093890 0.0000000 4.1969197 0.0000000 -0.1394825 0.0000000 4.2312503 28 Nd 3.6577207 0.0000000 -0.2093890 0.0000000 4.1969197 0.0000000 -0.1394825 0.0000000 4.2312503 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.428 Solver_block: 200 / 480 - Time: 1.414 Solver_block: 300 / 480 - Time: 1.417 Solver_block: 400 / 480 - Time: 1.416 Solver_block: 480 / 480 - Time: 1.165 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.872 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:16:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:16:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.539224570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.596977149999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.428929170000000 Atomic positions (fractional): 1 O 0.93097550727816 0.25000000000000 0.92262850159271 15.999 2 O 0.06902449272184 0.75000000000000 0.07737149840729 15.999 3 O 0.43097550727816 0.25000000000000 0.57737149840729 15.999 4 O 0.56902449272184 0.75000000000000 0.42262850159271 15.999 5 O 0.01304106505994 0.25000000000000 0.28228149123992 15.999 6 O 0.98695893494007 0.75000000000000 0.71771850876008 15.999 7 O 0.51304106505993 0.25000000000000 0.21771850876008 15.999 8 O 0.48695893494006 0.75000000000000 0.78228149123992 15.999 9 O 0.62399082361053 0.25000000000000 0.98305237261587 15.999 10 O 0.37600917638947 0.75000000000000 0.01694762738413 15.999 11 O 0.12399082361053 0.25000000000000 0.51694762738413 15.999 12 O 0.87600917638947 0.75000000000000 0.48305237261587 15.999 13 O 0.78690838989146 0.75000000000000 0.17194567677882 15.999 14 O 0.21309161010854 0.25000000000000 0.82805432322118 15.999 15 O 0.28690838989146 0.75000000000000 0.32805432322118 15.999 16 O 0.71309161010854 0.25000000000000 0.67194567677882 15.999 17 Ba 0.25010875518447 0.75000000000000 0.64791954453755 137.327 18 Ba 0.74989124481553 0.25000000000000 0.35208045546245 137.327 19 Ba 0.75010875518447 0.75000000000000 0.85208045546245 137.327 20 Ba 0.24989124481553 0.25000000000000 0.14791954453755 137.327 21 Nd 0.92554590974103 0.25000000000000 0.61276255841785 144.242 22 Nd 0.07445409025897 0.75000000000000 0.38723744158215 144.242 23 Nd 0.42554590974103 0.25000000000000 0.88723744158215 144.242 24 Nd 0.57445409025897 0.75000000000000 0.11276255841785 144.242 25 Nd 0.58202721324493 0.75000000000000 0.61046715217956 144.242 26 Nd 0.41797278675507 0.25000000000000 0.38953284782044 144.242 27 Nd 0.08202721324493 0.75000000000000 0.88953284782044 144.242 28 Nd 0.91797278675507 0.25000000000000 0.11046715217956 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.539224570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790931449999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.428929170000000 Atomic positions (fractional): 1 O 0.93097550727816 0.08333333333333 0.92262850159271 15.999 > 1 2 O 0.93097550727816 0.41666666666667 0.92262850159271 15.999 > 1 3 O 0.93097550727816 0.75000000000000 0.92262850159271 15.999 > 1 4 O 0.06902449272184 0.25000000000000 0.07737149840729 15.999 > 4 5 O 0.06902449272184 0.58333333333333 0.07737149840729 15.999 > 4 6 O 0.06902449272184 0.91666666666667 0.07737149840729 15.999 > 4 7 O 0.43097550727816 0.08333333333333 0.57737149840729 15.999 > 7 8 O 0.43097550727816 0.41666666666667 0.57737149840729 15.999 > 7 9 O 0.43097550727816 0.75000000000000 0.57737149840729 15.999 > 7 10 O 0.56902449272184 0.25000000000000 0.42262850159271 15.999 > 10 11 O 0.56902449272184 0.58333333333333 0.42262850159271 15.999 > 10 12 O 0.56902449272184 0.91666666666667 0.42262850159271 15.999 > 10 13 O 0.01304106505994 0.08333333333333 0.28228149123992 15.999 > 13 14 O 0.01304106505994 0.41666666666667 0.28228149123992 15.999 > 13 15 O 0.01304106505994 0.75000000000000 0.28228149123992 15.999 > 13 16 O 0.98695893494007 0.25000000000000 0.71771850876008 15.999 > 16 17 O 0.98695893494007 0.58333333333333 0.71771850876008 15.999 > 16 18 O 0.98695893494007 0.91666666666667 0.71771850876008 15.999 > 16 19 O 0.51304106505993 0.08333333333333 0.21771850876008 15.999 > 19 20 O 0.51304106505993 0.41666666666667 0.21771850876008 15.999 > 19 21 O 0.51304106505993 0.75000000000000 0.21771850876008 15.999 > 19 22 O 0.48695893494006 0.25000000000000 0.78228149123992 15.999 > 22 23 O 0.48695893494006 0.58333333333333 0.78228149123992 15.999 > 22 24 O 0.48695893494006 0.91666666666667 0.78228149123992 15.999 > 22 25 O 0.62399082361053 0.08333333333333 0.98305237261587 15.999 > 25 26 O 0.62399082361053 0.41666666666667 0.98305237261587 15.999 > 25 27 O 0.62399082361053 0.75000000000000 0.98305237261587 15.999 > 25 28 O 0.37600917638947 0.25000000000000 0.01694762738413 15.999 > 28 29 O 0.37600917638947 0.58333333333333 0.01694762738413 15.999 > 28 30 O 0.37600917638947 0.91666666666667 0.01694762738413 15.999 > 28 31 O 0.12399082361053 0.08333333333333 0.51694762738413 15.999 > 31 32 O 0.12399082361053 0.41666666666667 0.51694762738413 15.999 > 31 33 O 0.12399082361053 0.75000000000000 0.51694762738413 15.999 > 31 34 O 0.87600917638947 0.25000000000000 0.48305237261587 15.999 > 34 35 O 0.87600917638947 0.58333333333333 0.48305237261587 15.999 > 34 36 O 0.87600917638947 0.91666666666667 0.48305237261587 15.999 > 34 37 O 0.78690838989146 0.25000000000000 0.17194567677882 15.999 > 37 38 O 0.78690838989146 0.58333333333333 0.17194567677882 15.999 > 37 39 O 0.78690838989146 0.91666666666667 0.17194567677882 15.999 > 37 40 O 0.21309161010854 0.08333333333333 0.82805432322118 15.999 > 40 41 O 0.21309161010854 0.41666666666667 0.82805432322118 15.999 > 40 42 O 0.21309161010854 0.75000000000000 0.82805432322118 15.999 > 40 43 O 0.28690838989146 0.25000000000000 0.32805432322118 15.999 > 43 44 O 0.28690838989146 0.58333333333333 0.32805432322118 15.999 > 43 45 O 0.28690838989146 0.91666666666667 0.32805432322118 15.999 > 43 46 O 0.71309161010854 0.08333333333333 0.67194567677882 15.999 > 46 47 O 0.71309161010854 0.41666666666667 0.67194567677882 15.999 > 46 48 O 0.71309161010854 0.75000000000000 0.67194567677882 15.999 > 46 49 Ba 0.25010875518447 0.25000000000000 0.64791954453755 137.327 > 49 50 Ba 0.25010875518447 0.58333333333333 0.64791954453755 137.327 > 49 51 Ba 0.25010875518447 0.91666666666667 0.64791954453755 137.327 > 49 52 Ba 0.74989124481553 0.08333333333333 0.35208045546245 137.327 > 52 53 Ba 0.74989124481553 0.41666666666667 0.35208045546245 137.327 > 52 54 Ba 0.74989124481553 0.75000000000000 0.35208045546245 137.327 > 52 55 Ba 0.75010875518447 0.25000000000000 0.85208045546245 137.327 > 55 56 Ba 0.75010875518447 0.58333333333333 0.85208045546245 137.327 > 55 57 Ba 0.75010875518447 0.91666666666667 0.85208045546245 137.327 > 55 58 Ba 0.24989124481553 0.08333333333333 0.14791954453755 137.327 > 58 59 Ba 0.24989124481553 0.41666666666667 0.14791954453755 137.327 > 58 60 Ba 0.24989124481553 0.75000000000000 0.14791954453755 137.327 > 58 61 Nd 0.92554590974103 0.08333333333333 0.61276255841785 144.242 > 61 62 Nd 0.92554590974103 0.41666666666667 0.61276255841785 144.242 > 61 63 Nd 0.92554590974103 0.75000000000000 0.61276255841785 144.242 > 61 64 Nd 0.07445409025897 0.25000000000000 0.38723744158215 144.242 > 64 65 Nd 0.07445409025897 0.58333333333333 0.38723744158215 144.242 > 64 66 Nd 0.07445409025897 0.91666666666667 0.38723744158215 144.242 > 64 67 Nd 0.42554590974103 0.08333333333333 0.88723744158215 144.242 > 67 68 Nd 0.42554590974103 0.41666666666667 0.88723744158215 144.242 > 67 69 Nd 0.42554590974103 0.75000000000000 0.88723744158215 144.242 > 67 70 Nd 0.57445409025897 0.25000000000000 0.11276255841785 144.242 > 70 71 Nd 0.57445409025897 0.58333333333333 0.11276255841785 144.242 > 70 72 Nd 0.57445409025897 0.91666666666667 0.11276255841785 144.242 > 70 73 Nd 0.58202721324493 0.25000000000000 0.61046715217956 144.242 > 73 74 Nd 0.58202721324493 0.58333333333333 0.61046715217956 144.242 > 73 75 Nd 0.58202721324493 0.91666666666667 0.61046715217956 144.242 > 73 76 Nd 0.41797278675507 0.08333333333333 0.38953284782044 144.242 > 76 77 Nd 0.41797278675507 0.41666666666667 0.38953284782044 144.242 > 76 78 Nd 0.41797278675507 0.75000000000000 0.38953284782044 144.242 > 76 79 Nd 0.08202721324493 0.25000000000000 0.88953284782044 144.242 > 79 80 Nd 0.08202721324493 0.58333333333333 0.88953284782044 144.242 > 79 81 Nd 0.08202721324493 0.91666666666667 0.88953284782044 144.242 > 79 82 Nd 0.91797278675507 0.08333333333333 0.11046715217956 144.242 > 82 83 Nd 0.91797278675507 0.41666666666667 0.11046715217956 144.242 > 82 84 Nd 0.91797278675507 0.75000000000000 0.11046715217956 144.242 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5324958 0.0000000 0.0000000 0.0000000 4.7360409 0.0000000 0.0000000 0.0000000 4.6146798 -------------------------- Born effective charges -------------------------- 1 O -2.5310296 0.0000000 -0.0483003 0.0000000 -2.8453532 0.0000000 0.0994812 0.0000000 -2.5949447 2 O -2.5310296 0.0000000 -0.0483003 0.0000000 -2.8453532 0.0000000 0.0994812 0.0000000 -2.5949447 3 O -2.5310296 0.0000000 0.0483003 0.0000000 -2.8453532 0.0000000 -0.0994812 0.0000000 -2.5949447 4 O -2.5310296 0.0000000 0.0483003 0.0000000 -2.8453532 0.0000000 -0.0994812 0.0000000 -2.5949447 5 O -2.1510999 0.0000000 -0.4138537 0.0000000 -2.7462389 0.0000000 -0.5629753 0.0000000 -3.1790229 6 O -2.1510999 0.0000000 -0.4138537 0.0000000 -2.7462389 0.0000000 -0.5629753 0.0000000 -3.1790229 7 O -2.1510999 0.0000000 0.4138537 0.0000000 -2.7462389 0.0000000 0.5629753 0.0000000 -3.1790229 8 O -2.1510999 0.0000000 0.4138537 0.0000000 -2.7462389 0.0000000 0.5629753 0.0000000 -3.1790229 9 O -2.4967563 0.0000000 0.0734569 0.0000000 -2.7863525 0.0000000 0.0509625 0.0000000 -2.6421051 10 O -2.4967563 0.0000000 0.0734569 0.0000000 -2.7863525 0.0000000 0.0509625 0.0000000 -2.6421051 11 O -2.4967563 0.0000000 -0.0734569 0.0000000 -2.7863525 0.0000000 -0.0509625 0.0000000 -2.6421051 12 O -2.4967563 0.0000000 -0.0734569 0.0000000 -2.7863525 0.0000000 -0.0509625 0.0000000 -2.6421051 13 O -3.0513172 0.0000000 0.0860526 0.0000000 -2.8580980 0.0000000 0.0842539 0.0000000 -2.1714167 14 O -3.0513172 0.0000000 0.0860526 0.0000000 -2.8580980 0.0000000 0.0842539 0.0000000 -2.1714167 15 O -3.0513172 0.0000000 -0.0860526 0.0000000 -2.8580980 0.0000000 -0.0842539 0.0000000 -2.1714167 16 O -3.0513172 0.0000000 -0.0860526 0.0000000 -2.8580980 0.0000000 -0.0842539 0.0000000 -2.1714167 17 Ba 2.8116785 0.0000000 0.0915879 0.0000000 2.5843834 0.0000000 0.0295885 0.0000000 2.5904983 18 Ba 2.8116785 0.0000000 0.0915879 0.0000000 2.5843834 0.0000000 0.0295885 0.0000000 2.5904983 19 Ba 2.8116785 0.0000000 -0.0915879 0.0000000 2.5843834 0.0000000 -0.0295885 0.0000000 2.5904983 20 Ba 2.8116785 0.0000000 -0.0915879 0.0000000 2.5843834 0.0000000 -0.0295885 0.0000000 2.5904983 21 Nd 3.7608037 0.0000000 -0.2416433 0.0000000 4.4547395 0.0000000 -0.1258350 0.0000000 3.7657407 22 Nd 3.7608037 0.0000000 -0.2416433 0.0000000 4.4547395 0.0000000 -0.1258350 0.0000000 3.7657407 23 Nd 3.7608037 0.0000000 0.2416433 0.0000000 4.4547395 0.0000000 0.1258350 0.0000000 3.7657407 24 Nd 3.7608037 0.0000000 0.2416433 0.0000000 4.4547395 0.0000000 0.1258350 0.0000000 3.7657407 25 Nd 3.6577207 0.0000000 0.2093890 0.0000000 4.1969197 0.0000000 0.1394825 0.0000000 4.2312503 26 Nd 3.6577207 0.0000000 0.2093890 0.0000000 4.1969197 0.0000000 0.1394825 0.0000000 4.2312503 27 Nd 3.6577207 0.0000000 -0.2093890 0.0000000 4.1969197 0.0000000 -0.1394825 0.0000000 4.2312503 28 Nd 3.6577207 0.0000000 -0.2093890 0.0000000 4.1969197 0.0000000 -0.1394825 0.0000000 4.2312503 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:16:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:16:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.539224570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.596977149999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.428929170000000 Atomic positions (fractional): 1 O 0.93097550727816 0.25000000000000 0.92262850159271 15.999 2 O 0.06902449272184 0.75000000000000 0.07737149840729 15.999 3 O 0.43097550727816 0.25000000000000 0.57737149840729 15.999 4 O 0.56902449272184 0.75000000000000 0.42262850159271 15.999 5 O 0.01304106505994 0.25000000000000 0.28228149123992 15.999 6 O 0.98695893494007 0.75000000000000 0.71771850876008 15.999 7 O 0.51304106505993 0.25000000000000 0.21771850876008 15.999 8 O 0.48695893494006 0.75000000000000 0.78228149123992 15.999 9 O 0.62399082361053 0.25000000000000 0.98305237261587 15.999 10 O 0.37600917638947 0.75000000000000 0.01694762738413 15.999 11 O 0.12399082361053 0.25000000000000 0.51694762738413 15.999 12 O 0.87600917638947 0.75000000000000 0.48305237261587 15.999 13 O 0.78690838989146 0.75000000000000 0.17194567677882 15.999 14 O 0.21309161010854 0.25000000000000 0.82805432322118 15.999 15 O 0.28690838989146 0.75000000000000 0.32805432322118 15.999 16 O 0.71309161010854 0.25000000000000 0.67194567677882 15.999 17 Ba 0.25010875518447 0.75000000000000 0.64791954453755 137.327 18 Ba 0.74989124481553 0.25000000000000 0.35208045546245 137.327 19 Ba 0.75010875518447 0.75000000000000 0.85208045546245 137.327 20 Ba 0.24989124481553 0.25000000000000 0.14791954453755 137.327 21 Nd 0.92554590974103 0.25000000000000 0.61276255841785 144.242 22 Nd 0.07445409025897 0.75000000000000 0.38723744158215 144.242 23 Nd 0.42554590974103 0.25000000000000 0.88723744158215 144.242 24 Nd 0.57445409025897 0.75000000000000 0.11276255841785 144.242 25 Nd 0.58202721324493 0.75000000000000 0.61046715217956 144.242 26 Nd 0.41797278675507 0.25000000000000 0.38953284782044 144.242 27 Nd 0.08202721324493 0.75000000000000 0.88953284782044 144.242 28 Nd 0.91797278675507 0.25000000000000 0.11046715217956 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.539224570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790931449999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.428929170000000 Atomic positions (fractional): 1 O 0.93097550727816 0.08333333333333 0.92262850159271 15.999 > 1 2 O 0.93097550727816 0.41666666666667 0.92262850159271 15.999 > 1 3 O 0.93097550727816 0.75000000000000 0.92262850159271 15.999 > 1 4 O 0.06902449272184 0.25000000000000 0.07737149840729 15.999 > 4 5 O 0.06902449272184 0.58333333333333 0.07737149840729 15.999 > 4 6 O 0.06902449272184 0.91666666666667 0.07737149840729 15.999 > 4 7 O 0.43097550727816 0.08333333333333 0.57737149840729 15.999 > 7 8 O 0.43097550727816 0.41666666666667 0.57737149840729 15.999 > 7 9 O 0.43097550727816 0.75000000000000 0.57737149840729 15.999 > 7 10 O 0.56902449272184 0.25000000000000 0.42262850159271 15.999 > 10 11 O 0.56902449272184 0.58333333333333 0.42262850159271 15.999 > 10 12 O 0.56902449272184 0.91666666666667 0.42262850159271 15.999 > 10 13 O 0.01304106505994 0.08333333333333 0.28228149123992 15.999 > 13 14 O 0.01304106505994 0.41666666666667 0.28228149123992 15.999 > 13 15 O 0.01304106505994 0.75000000000000 0.28228149123992 15.999 > 13 16 O 0.98695893494007 0.25000000000000 0.71771850876008 15.999 > 16 17 O 0.98695893494007 0.58333333333333 0.71771850876008 15.999 > 16 18 O 0.98695893494007 0.91666666666667 0.71771850876008 15.999 > 16 19 O 0.51304106505993 0.08333333333333 0.21771850876008 15.999 > 19 20 O 0.51304106505993 0.41666666666667 0.21771850876008 15.999 > 19 21 O 0.51304106505993 0.75000000000000 0.21771850876008 15.999 > 19 22 O 0.48695893494006 0.25000000000000 0.78228149123992 15.999 > 22 23 O 0.48695893494006 0.58333333333333 0.78228149123992 15.999 > 22 24 O 0.48695893494006 0.91666666666667 0.78228149123992 15.999 > 22 25 O 0.62399082361053 0.08333333333333 0.98305237261587 15.999 > 25 26 O 0.62399082361053 0.41666666666667 0.98305237261587 15.999 > 25 27 O 0.62399082361053 0.75000000000000 0.98305237261587 15.999 > 25 28 O 0.37600917638947 0.25000000000000 0.01694762738413 15.999 > 28 29 O 0.37600917638947 0.58333333333333 0.01694762738413 15.999 > 28 30 O 0.37600917638947 0.91666666666667 0.01694762738413 15.999 > 28 31 O 0.12399082361053 0.08333333333333 0.51694762738413 15.999 > 31 32 O 0.12399082361053 0.41666666666667 0.51694762738413 15.999 > 31 33 O 0.12399082361053 0.75000000000000 0.51694762738413 15.999 > 31 34 O 0.87600917638947 0.25000000000000 0.48305237261587 15.999 > 34 35 O 0.87600917638947 0.58333333333333 0.48305237261587 15.999 > 34 36 O 0.87600917638947 0.91666666666667 0.48305237261587 15.999 > 34 37 O 0.78690838989146 0.25000000000000 0.17194567677882 15.999 > 37 38 O 0.78690838989146 0.58333333333333 0.17194567677882 15.999 > 37 39 O 0.78690838989146 0.91666666666667 0.17194567677882 15.999 > 37 40 O 0.21309161010854 0.08333333333333 0.82805432322118 15.999 > 40 41 O 0.21309161010854 0.41666666666667 0.82805432322118 15.999 > 40 42 O 0.21309161010854 0.75000000000000 0.82805432322118 15.999 > 40 43 O 0.28690838989146 0.25000000000000 0.32805432322118 15.999 > 43 44 O 0.28690838989146 0.58333333333333 0.32805432322118 15.999 > 43 45 O 0.28690838989146 0.91666666666667 0.32805432322118 15.999 > 43 46 O 0.71309161010854 0.08333333333333 0.67194567677882 15.999 > 46 47 O 0.71309161010854 0.41666666666667 0.67194567677882 15.999 > 46 48 O 0.71309161010854 0.75000000000000 0.67194567677882 15.999 > 46 49 Ba 0.25010875518447 0.25000000000000 0.64791954453755 137.327 > 49 50 Ba 0.25010875518447 0.58333333333333 0.64791954453755 137.327 > 49 51 Ba 0.25010875518447 0.91666666666667 0.64791954453755 137.327 > 49 52 Ba 0.74989124481553 0.08333333333333 0.35208045546245 137.327 > 52 53 Ba 0.74989124481553 0.41666666666667 0.35208045546245 137.327 > 52 54 Ba 0.74989124481553 0.75000000000000 0.35208045546245 137.327 > 52 55 Ba 0.75010875518447 0.25000000000000 0.85208045546245 137.327 > 55 56 Ba 0.75010875518447 0.58333333333333 0.85208045546245 137.327 > 55 57 Ba 0.75010875518447 0.91666666666667 0.85208045546245 137.327 > 55 58 Ba 0.24989124481553 0.08333333333333 0.14791954453755 137.327 > 58 59 Ba 0.24989124481553 0.41666666666667 0.14791954453755 137.327 > 58 60 Ba 0.24989124481553 0.75000000000000 0.14791954453755 137.327 > 58 61 Nd 0.92554590974103 0.08333333333333 0.61276255841785 144.242 > 61 62 Nd 0.92554590974103 0.41666666666667 0.61276255841785 144.242 > 61 63 Nd 0.92554590974103 0.75000000000000 0.61276255841785 144.242 > 61 64 Nd 0.07445409025897 0.25000000000000 0.38723744158215 144.242 > 64 65 Nd 0.07445409025897 0.58333333333333 0.38723744158215 144.242 > 64 66 Nd 0.07445409025897 0.91666666666667 0.38723744158215 144.242 > 64 67 Nd 0.42554590974103 0.08333333333333 0.88723744158215 144.242 > 67 68 Nd 0.42554590974103 0.41666666666667 0.88723744158215 144.242 > 67 69 Nd 0.42554590974103 0.75000000000000 0.88723744158215 144.242 > 67 70 Nd 0.57445409025897 0.25000000000000 0.11276255841785 144.242 > 70 71 Nd 0.57445409025897 0.58333333333333 0.11276255841785 144.242 > 70 72 Nd 0.57445409025897 0.91666666666667 0.11276255841785 144.242 > 70 73 Nd 0.58202721324493 0.25000000000000 0.61046715217956 144.242 > 73 74 Nd 0.58202721324493 0.58333333333333 0.61046715217956 144.242 > 73 75 Nd 0.58202721324493 0.91666666666667 0.61046715217956 144.242 > 73 76 Nd 0.41797278675507 0.08333333333333 0.38953284782044 144.242 > 76 77 Nd 0.41797278675507 0.41666666666667 0.38953284782044 144.242 > 76 78 Nd 0.41797278675507 0.75000000000000 0.38953284782044 144.242 > 76 79 Nd 0.08202721324493 0.25000000000000 0.88953284782044 144.242 > 79 80 Nd 0.08202721324493 0.58333333333333 0.88953284782044 144.242 > 79 81 Nd 0.08202721324493 0.91666666666667 0.88953284782044 144.242 > 79 82 Nd 0.91797278675507 0.08333333333333 0.11046715217956 144.242 > 82 83 Nd 0.91797278675507 0.41666666666667 0.11046715217956 144.242 > 82 84 Nd 0.91797278675507 0.75000000000000 0.11046715217956 144.242 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5324958 0.0000000 0.0000000 0.0000000 4.7360409 0.0000000 0.0000000 0.0000000 4.6146798 -------------------------- Born effective charges -------------------------- 1 O -2.5310296 0.0000000 -0.0483003 0.0000000 -2.8453532 0.0000000 0.0994812 0.0000000 -2.5949447 2 O -2.5310296 0.0000000 -0.0483003 0.0000000 -2.8453532 0.0000000 0.0994812 0.0000000 -2.5949447 3 O -2.5310296 0.0000000 0.0483003 0.0000000 -2.8453532 0.0000000 -0.0994812 0.0000000 -2.5949447 4 O -2.5310296 0.0000000 0.0483003 0.0000000 -2.8453532 0.0000000 -0.0994812 0.0000000 -2.5949447 5 O -2.1510999 0.0000000 -0.4138537 0.0000000 -2.7462389 0.0000000 -0.5629753 0.0000000 -3.1790229 6 O -2.1510999 0.0000000 -0.4138537 0.0000000 -2.7462389 0.0000000 -0.5629753 0.0000000 -3.1790229 7 O -2.1510999 0.0000000 0.4138537 0.0000000 -2.7462389 0.0000000 0.5629753 0.0000000 -3.1790229 8 O -2.1510999 0.0000000 0.4138537 0.0000000 -2.7462389 0.0000000 0.5629753 0.0000000 -3.1790229 9 O -2.4967563 0.0000000 0.0734569 0.0000000 -2.7863525 0.0000000 0.0509625 0.0000000 -2.6421051 10 O -2.4967563 0.0000000 0.0734569 0.0000000 -2.7863525 0.0000000 0.0509625 0.0000000 -2.6421051 11 O -2.4967563 0.0000000 -0.0734569 0.0000000 -2.7863525 0.0000000 -0.0509625 0.0000000 -2.6421051 12 O -2.4967563 0.0000000 -0.0734569 0.0000000 -2.7863525 0.0000000 -0.0509625 0.0000000 -2.6421051 13 O -3.0513172 0.0000000 0.0860526 0.0000000 -2.8580980 0.0000000 0.0842539 0.0000000 -2.1714167 14 O -3.0513172 0.0000000 0.0860526 0.0000000 -2.8580980 0.0000000 0.0842539 0.0000000 -2.1714167 15 O -3.0513172 0.0000000 -0.0860526 0.0000000 -2.8580980 0.0000000 -0.0842539 0.0000000 -2.1714167 16 O -3.0513172 0.0000000 -0.0860526 0.0000000 -2.8580980 0.0000000 -0.0842539 0.0000000 -2.1714167 17 Ba 2.8116785 0.0000000 0.0915879 0.0000000 2.5843834 0.0000000 0.0295885 0.0000000 2.5904983 18 Ba 2.8116785 0.0000000 0.0915879 0.0000000 2.5843834 0.0000000 0.0295885 0.0000000 2.5904983 19 Ba 2.8116785 0.0000000 -0.0915879 0.0000000 2.5843834 0.0000000 -0.0295885 0.0000000 2.5904983 20 Ba 2.8116785 0.0000000 -0.0915879 0.0000000 2.5843834 0.0000000 -0.0295885 0.0000000 2.5904983 21 Nd 3.7608037 0.0000000 -0.2416433 0.0000000 4.4547395 0.0000000 -0.1258350 0.0000000 3.7657407 22 Nd 3.7608037 0.0000000 -0.2416433 0.0000000 4.4547395 0.0000000 -0.1258350 0.0000000 3.7657407 23 Nd 3.7608037 0.0000000 0.2416433 0.0000000 4.4547395 0.0000000 0.1258350 0.0000000 3.7657407 24 Nd 3.7608037 0.0000000 0.2416433 0.0000000 4.4547395 0.0000000 0.1258350 0.0000000 3.7657407 25 Nd 3.6577207 0.0000000 0.2093890 0.0000000 4.1969197 0.0000000 0.1394825 0.0000000 4.2312503 26 Nd 3.6577207 0.0000000 0.2093890 0.0000000 4.1969197 0.0000000 0.1394825 0.0000000 4.2312503 27 Nd 3.6577207 0.0000000 -0.2093890 0.0000000 4.1969197 0.0000000 -0.1394825 0.0000000 4.2312503 28 Nd 3.6577207 0.0000000 -0.2093890 0.0000000 4.1969197 0.0000000 -0.1394825 0.0000000 4.2312503 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.695 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.721 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.791 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 10.028 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 11.415 ( 0.000 0.000 0.000) 0.000 11.550 ( 0.000 0.000 0.000) 0.000 11.565 ( 0.000 0.000 0.000) 0.000 11.575 ( 0.000 0.000 0.000) 0.000 11.580 ( 0.000 0.000 0.000) 0.000 11.727 ( 0.000 0.000 0.000) 0.000 11.799 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 14.974 ( 0.000 0.000 0.000) 0.000 15.141 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.467 ( 0.000 0.000 0.000) 0.000 16.550 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 25.150 0.000 0.000) 25.150 0.498 ( 25.706 0.000 0.000) 25.706 0.821 ( 43.317 0.000 0.000) 43.317 1.498 ( 1.033 0.000 0.000) 1.033 1.693 ( -0.032 0.000 0.000) 0.032 1.742 ( -12.421 0.000 0.000) 12.421 1.763 ( -14.851 0.000 0.000) 14.851 1.915 ( -0.590 0.000 0.000) 0.590 1.989 ( 0.817 0.000 0.000) 0.817 2.009 ( 14.552 0.000 0.000) 14.552 2.034 ( -1.653 0.000 0.000) 1.653 2.218 ( 1.763 0.000 0.000) 1.763 2.239 ( -2.757 0.000 0.000) 2.757 2.264 ( 0.187 0.000 0.000) 0.187 2.490 ( 3.070 0.000 0.000) 3.070 2.534 ( 2.675 0.000 0.000) 2.675 2.581 ( -0.346 0.000 0.000) 0.346 2.711 ( 10.028 0.000 0.000) 10.028 2.767 ( -2.787 0.000 0.000) 2.787 2.820 ( 2.258 0.000 0.000) 2.258 2.975 ( 4.634 0.000 0.000) 4.634 3.005 ( -1.981 0.000 0.000) 1.981 3.102 ( 2.722 0.000 0.000) 2.722 3.272 ( -23.324 0.000 0.000) 23.324 3.655 ( 5.556 0.000 0.000) 5.556 3.762 ( 7.480 0.000 0.000) 7.480 3.915 ( -10.430 0.000 0.000) 10.430 4.010 ( -17.957 0.000 0.000) 17.957 4.345 ( 2.907 0.000 0.000) 2.907 4.589 ( -4.286 0.000 0.000) 4.286 4.678 ( 7.970 0.000 0.000) 7.970 4.758 ( -12.169 0.000 0.000) 12.169 4.774 ( 1.828 0.000 0.000) 1.828 4.801 ( -2.398 0.000 0.000) 2.398 5.159 ( 0.693 0.000 0.000) 0.693 5.379 ( 1.331 0.000 0.000) 1.331 5.479 ( 8.777 0.000 0.000) 8.777 5.649 ( 5.771 0.000 0.000) 5.771 5.745 ( -13.347 0.000 0.000) 13.347 6.206 ( -3.579 0.000 0.000) 3.579 6.752 ( 1.916 0.000 0.000) 1.916 6.987 ( -4.201 0.000 0.000) 4.201 7.132 ( 7.291 0.000 0.000) 7.291 7.305 ( 0.741 0.000 0.000) 0.741 7.367 ( 0.352 0.000 0.000) 0.352 7.487 ( -4.258 0.000 0.000) 4.258 7.546 ( 5.290 0.000 0.000) 5.290 7.562 ( 1.564 0.000 0.000) 1.564 7.785 ( 7.015 0.000 0.000) 7.015 8.009 ( 3.832 0.000 0.000) 3.832 8.142 ( -2.133 0.000 0.000) 2.133 8.270 ( -1.823 0.000 0.000) 1.823 8.311 ( 17.715 0.000 0.000) 17.715 8.723 ( 0.755 0.000 0.000) 0.755 9.019 ( -7.885 0.000 0.000) 7.885 9.181 ( -10.497 0.000 0.000) 10.497 9.467 ( 0.657 0.000 0.000) 0.657 9.566 ( -1.672 0.000 0.000) 1.672 9.787 ( -0.939 0.000 0.000) 0.939 10.004 ( 13.518 0.000 0.000) 13.518 10.153 ( 12.140 0.000 0.000) 12.140 10.211 ( 0.968 0.000 0.000) 0.968 10.282 ( -0.748 0.000 0.000) 0.748 10.442 ( -19.210 0.000 0.000) 19.210 10.770 ( -3.245 0.000 0.000) 3.245 11.010 ( 4.031 0.000 0.000) 4.031 11.431 ( 1.676 0.000 0.000) 1.676 11.552 ( 0.184 0.000 0.000) 0.184 11.564 ( -0.138 0.000 0.000) 0.138 11.575 ( 0.077 0.000 0.000) 0.077 11.580 ( -0.059 0.000 0.000) 0.059 11.646 ( -7.225 0.000 0.000) 7.225 12.528 ( -1.615 0.000 0.000) 1.615 12.588 ( -2.390 0.000 0.000) 2.390 12.963 ( 0.908 0.000 0.000) 0.908 13.016 ( -0.575 0.000 0.000) 0.575 14.753 ( 3.235 0.000 0.000) 3.235 14.964 ( -1.140 0.000 0.000) 1.140 15.177 ( 3.257 0.000 0.000) 3.257 15.320 ( -1.160 0.000 0.000) 1.160 16.211 ( 0.757 0.000 0.000) 0.757 16.325 ( -1.512 0.000 0.000) 1.512 16.480 ( 0.931 0.000 0.000) 0.931 16.521 ( -2.387 0.000 0.000) 2.387 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 23.934 0.000 0.000) 23.934 0.965 ( 23.252 0.000 0.000) 23.252 1.363 ( -17.555 0.000 0.000) 17.555 1.389 ( -22.050 0.000 0.000) 22.050 1.619 ( 1.829 0.000 0.000) 1.829 1.621 ( 39.126 0.000 0.000) 39.126 1.672 ( -2.395 0.000 0.000) 2.395 1.923 ( 1.783 0.000 0.000) 1.783 1.978 ( -3.483 0.000 0.000) 3.483 2.009 ( -0.605 0.000 0.000) 0.605 2.173 ( -0.960 0.000 0.000) 0.960 2.250 ( 1.294 0.000 0.000) 1.294 2.264 ( -0.254 0.000 0.000) 0.254 2.384 ( 18.836 0.000 0.000) 18.836 2.408 ( -22.008 0.000 0.000) 22.008 2.542 ( 2.082 0.000 0.000) 2.082 2.569 ( -0.943 0.000 0.000) 0.943 2.665 ( -8.826 0.000 0.000) 8.826 2.793 ( -0.799 0.000 0.000) 0.799 2.816 ( -9.574 0.000 0.000) 9.574 2.880 ( 3.774 0.000 0.000) 3.774 2.952 ( -3.488 0.000 0.000) 3.488 3.234 ( 16.162 0.000 0.000) 16.162 3.282 ( 15.199 0.000 0.000) 15.199 3.630 ( -20.125 0.000 0.000) 20.125 3.637 ( -16.551 0.000 0.000) 16.551 3.805 ( 9.068 0.000 0.000) 9.068 3.905 ( 2.314 0.000 0.000) 2.314 4.392 ( 1.328 0.000 0.000) 1.328 4.424 ( -7.166 0.000 0.000) 7.166 4.588 ( -3.289 0.000 0.000) 3.289 4.627 ( -8.259 0.000 0.000) 8.259 4.829 ( 4.612 0.000 0.000) 4.612 4.860 ( 1.337 0.000 0.000) 1.337 5.228 ( 5.193 0.000 0.000) 5.193 5.335 ( -5.619 0.000 0.000) 5.619 5.582 ( 2.515 0.000 0.000) 2.515 5.606 ( -1.616 0.000 0.000) 1.616 5.820 ( 11.450 0.000 0.000) 11.450 6.047 ( -11.514 0.000 0.000) 11.514 6.807 ( 3.832 0.000 0.000) 3.832 6.893 ( -5.117 0.000 0.000) 5.117 7.280 ( 6.188 0.000 0.000) 6.188 7.327 ( 0.698 0.000 0.000) 0.698 7.381 ( 1.265 0.000 0.000) 1.265 7.419 ( -2.781 0.000 0.000) 2.781 7.592 ( 1.289 0.000 0.000) 1.289 7.605 ( 0.543 0.000 0.000) 0.543 7.922 ( 6.967 0.000 0.000) 6.967 8.032 ( -3.684 0.000 0.000) 3.684 8.139 ( 3.654 0.000 0.000) 3.654 8.217 ( -3.697 0.000 0.000) 3.697 8.659 ( 15.979 0.000 0.000) 15.979 8.786 ( 6.591 0.000 0.000) 6.591 8.876 ( -7.783 0.000 0.000) 7.783 8.966 ( -11.287 0.000 0.000) 11.287 9.488 ( 1.641 0.000 0.000) 1.641 9.527 ( -2.269 0.000 0.000) 2.269 9.815 ( 6.175 0.000 0.000) 6.175 10.049 ( -16.470 0.000 0.000) 16.470 10.235 ( 1.442 0.000 0.000) 1.442 10.262 ( -1.308 0.000 0.000) 1.308 10.290 ( 10.698 0.000 0.000) 10.698 10.378 ( 6.207 0.000 0.000) 6.207 10.729 ( 2.983 0.000 0.000) 2.983 10.928 ( -11.863 0.000 0.000) 11.863 11.475 ( 2.755 0.000 0.000) 2.755 11.532 ( -3.808 0.000 0.000) 3.808 11.556 ( 0.247 0.000 0.000) 0.247 11.560 ( -0.205 0.000 0.000) 0.205 11.577 ( 0.076 0.000 0.000) 0.076 11.578 ( -0.078 0.000 0.000) 0.078 12.510 ( 0.174 0.000 0.000) 0.174 12.538 ( -2.480 0.000 0.000) 2.480 12.983 ( 1.073 0.000 0.000) 1.073 13.002 ( -0.903 0.000 0.000) 0.903 14.836 ( 5.060 0.000 0.000) 5.060 14.922 ( -3.494 0.000 0.000) 3.494 15.241 ( 3.069 0.000 0.000) 3.069 15.289 ( -2.057 0.000 0.000) 2.057 16.237 ( 1.943 0.000 0.000) 1.943 16.282 ( -2.659 0.000 0.000) 2.659 16.488 ( -0.074 0.000 0.000) 0.074 16.489 ( -0.627 0.000 0.000) 0.627 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 25.706 0.000) 25.706 0.564 ( 0.000 27.798 0.000) 27.798 1.105 ( 0.000 54.468 0.000) 54.468 1.712 ( 0.000 20.442 0.000) 20.442 1.798 ( 0.000 2.916 0.000) 2.916 1.824 ( 0.000 11.460 0.000) 11.460 1.947 ( 0.000 6.895 0.000) 6.895 1.995 ( 0.000 3.280 0.000) 3.280 2.025 ( 0.000 9.557 0.000) 9.557 2.143 ( 0.000 18.393 0.000) 18.393 2.222 ( 0.000 17.852 0.000) 17.852 2.257 ( 0.000 1.497 0.000) 1.497 2.351 ( 0.000 13.360 0.000) 13.360 2.465 ( 0.000 15.269 0.000) 15.269 2.481 ( 0.000 -0.537 0.000) 0.537 2.553 ( 0.000 -0.576 0.000) 0.576 2.640 ( 0.000 17.129 0.000) 17.129 2.693 ( 0.000 -0.295 0.000) 0.295 2.766 ( 0.000 17.066 0.000) 17.066 2.940 ( 0.000 2.211 0.000) 2.211 3.085 ( 0.000 -0.718 0.000) 0.718 3.100 ( 0.000 18.787 0.000) 18.787 3.209 ( 0.000 17.578 0.000) 17.578 3.566 ( 0.000 7.434 0.000) 7.434 3.578 ( 0.000 3.600 0.000) 3.600 3.725 ( 0.000 6.072 0.000) 6.072 3.944 ( 0.000 1.989 0.000) 1.989 4.014 ( 0.000 -1.868 0.000) 1.868 4.289 ( 0.000 1.389 0.000) 1.389 4.527 ( 0.000 -0.230 0.000) 0.230 4.603 ( 0.000 -2.954 0.000) 2.954 4.663 ( 0.000 -3.152 0.000) 3.152 4.805 ( 0.000 -0.659 0.000) 0.659 4.926 ( 0.000 1.493 0.000) 1.493 5.199 ( 0.000 -4.359 0.000) 4.359 5.282 ( 0.000 -0.544 0.000) 0.544 5.376 ( 0.000 2.163 0.000) 2.163 5.552 ( 0.000 -4.018 0.000) 4.018 5.813 ( 0.000 -3.161 0.000) 3.161 6.106 ( 0.000 -7.543 0.000) 7.543 6.944 ( 0.000 -1.055 0.000) 1.055 7.147 ( 0.000 3.604 0.000) 3.604 7.292 ( 0.000 -1.171 0.000) 1.171 7.388 ( 0.000 7.472 0.000) 7.472 7.431 ( 0.000 -3.373 0.000) 3.373 7.448 ( 0.000 -0.513 0.000) 0.513 7.552 ( 0.000 1.215 0.000) 1.215 7.614 ( 0.000 6.506 0.000) 6.506 7.932 ( 0.000 19.597 0.000) 19.597 8.118 ( 0.000 13.315 0.000) 13.315 8.163 ( 0.000 4.687 0.000) 4.687 8.309 ( 0.000 14.008 0.000) 14.008 8.424 ( 0.000 11.651 0.000) 11.651 8.726 ( 0.000 0.757 0.000) 0.757 9.117 ( 0.000 -12.107 0.000) 12.107 9.136 ( 0.000 2.065 0.000) 2.065 9.465 ( 0.000 -7.648 0.000) 7.648 9.606 ( 0.000 10.973 0.000) 10.973 9.704 ( 0.000 -8.391 0.000) 8.391 9.913 ( 0.000 5.662 0.000) 5.662 10.048 ( 0.000 -13.852 0.000) 13.852 10.154 ( 0.000 10.004 0.000) 10.004 10.237 ( 0.000 -4.921 0.000) 4.921 10.809 ( 0.000 0.701 0.000) 0.701 10.810 ( 0.000 -5.691 0.000) 5.691 11.094 ( 0.000 2.544 0.000) 2.544 11.326 ( 0.000 -7.095 0.000) 7.095 11.369 ( 0.000 -16.721 0.000) 16.721 11.542 ( 0.000 -1.774 0.000) 1.774 11.657 ( 0.000 6.219 0.000) 6.219 11.776 ( 0.000 4.691 0.000) 4.691 11.844 ( 0.000 2.692 0.000) 2.692 12.568 ( 0.000 -8.701 0.000) 8.701 12.644 ( 0.000 1.670 0.000) 1.670 12.889 ( 0.000 -6.467 0.000) 6.467 12.910 ( 0.000 -10.879 0.000) 10.879 14.823 ( 0.000 2.627 0.000) 2.627 14.957 ( 0.000 -1.532 0.000) 1.532 15.094 ( 0.000 -4.513 0.000) 4.513 15.410 ( 0.000 -1.938 0.000) 1.938 16.073 ( 0.000 -7.089 0.000) 7.089 16.248 ( 0.000 -8.880 0.000) 8.880 16.374 ( 0.000 -9.081 0.000) 9.081 16.436 ( 0.000 -11.005 0.000) 11.005 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 17.217 17.001 0.000) 24.197 0.733 ( 15.506 20.443 0.000) 25.658 1.384 ( 24.077 42.624 0.000) 48.954 1.726 ( 0.426 19.917 0.000) 19.921 1.754 ( -9.711 2.346 0.000) 9.991 1.845 ( 0.054 14.063 0.000) 14.063 1.874 ( -12.087 11.324 0.000) 16.562 2.001 ( 11.756 4.273 0.000) 12.508 2.023 ( 2.072 3.449 0.000) 4.024 2.165 ( 0.755 18.004 0.000) 18.020 2.203 ( -3.227 15.752 0.000) 16.079 2.231 ( -0.937 1.133 0.000) 1.470 2.368 ( 1.823 13.393 0.000) 13.516 2.449 ( -1.336 14.595 0.000) 14.656 2.525 ( 3.730 0.380 0.000) 3.750 2.649 ( 0.668 11.996 0.000) 12.015 2.690 ( 8.076 1.092 0.000) 8.150 2.720 ( 1.562 2.914 0.000) 3.306 2.772 ( 2.624 15.332 0.000) 15.555 2.986 ( 4.101 4.578 0.000) 6.147 3.083 ( 1.462 0.234 0.000) 1.481 3.091 ( -0.014 16.022 0.000) 16.022 3.195 ( -1.281 17.024 0.000) 17.072 3.332 ( -20.966 8.072 0.000) 22.466 3.653 ( 5.707 1.610 0.000) 5.930 3.808 ( 6.386 5.090 0.000) 8.166 3.903 ( -9.871 -1.114 0.000) 9.934 3.909 ( -7.462 -1.150 0.000) 7.551 4.316 ( 3.087 0.390 0.000) 3.111 4.566 ( -3.756 -2.150 0.000) 4.328 4.632 ( 5.296 -3.951 0.000) 6.607 4.677 ( 1.834 -4.339 0.000) 4.710 4.766 ( -11.952 0.807 0.000) 11.979 4.783 ( -2.928 -1.711 0.000) 3.391 5.146 ( 1.447 -0.512 0.000) 1.535 5.391 ( 0.058 1.207 0.000) 1.208 5.453 ( 8.967 -2.317 0.000) 9.262 5.604 ( 5.714 -3.932 0.000) 6.936 5.663 ( -10.127 -3.810 0.000) 10.820 6.109 ( -2.532 -5.792 0.000) 6.321 7.042 ( 8.467 -1.998 0.000) 8.700 7.133 ( -1.012 4.674 0.000) 4.782 7.296 ( -9.604 13.008 0.000) 16.169 7.297 ( -0.067 4.082 0.000) 4.082 7.388 ( 1.102 3.496 0.000) 3.666 7.472 ( 0.427 0.829 0.000) 0.933 7.576 ( 1.208 1.343 0.000) 1.806 7.611 ( 0.437 5.553 0.000) 5.570 7.952 ( 4.119 16.791 0.000) 17.289 8.137 ( 2.845 11.570 0.000) 11.915 8.261 ( 1.485 10.234 0.000) 10.341 8.382 ( 13.768 8.453 0.000) 16.155 8.392 ( -2.835 10.908 0.000) 11.271 8.734 ( 1.357 1.092 0.000) 1.742 9.052 ( -6.177 3.485 0.000) 7.092 9.090 ( -3.609 -7.858 0.000) 8.647 9.449 ( -6.887 -1.327 0.000) 7.014 9.499 ( 1.695 -5.542 0.000) 5.795 9.852 ( 5.137 5.213 0.000) 7.319 10.034 ( 10.095 2.223 0.000) 10.337 10.052 ( 0.788 -13.101 0.000) 13.125 10.172 ( -4.753 -6.181 0.000) 7.797 10.213 ( 8.004 4.537 0.000) 9.200 10.589 ( -20.437 2.000 0.000) 20.534 10.770 ( -3.821 -0.083 0.000) 3.822 11.097 ( -0.024 3.970 0.000) 3.970 11.323 ( -0.387 -6.062 0.000) 6.074 11.377 ( -1.269 -14.063 0.000) 14.120 11.505 ( -2.167 -5.664 0.000) 6.064 11.606 ( -11.501 3.624 0.000) 12.058 11.707 ( 3.567 9.192 0.000) 9.860 11.735 ( -3.088 6.392 0.000) 7.099 12.513 ( -3.203 -5.133 0.000) 6.051 12.596 ( -4.306 -0.584 0.000) 4.346 12.908 ( 1.525 -5.657 0.000) 5.859 12.927 ( 1.162 -9.153 0.000) 9.227 14.811 ( 0.688 3.694 0.000) 3.757 14.952 ( -0.656 -1.101 0.000) 1.282 15.135 ( 3.770 -4.077 0.000) 5.553 15.353 ( -3.660 0.609 0.000) 3.710 16.106 ( 1.972 -9.002 0.000) 9.216 16.234 ( -1.541 -8.896 0.000) 9.028 16.388 ( 0.976 -8.994 0.000) 9.046 16.413 ( -1.849 -10.468 0.000) 10.630 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 19.600 12.105 0.000) 23.037 1.080 ( 24.108 9.663 0.000) 25.973 1.451 ( -18.850 6.580 0.000) 19.965 1.512 ( -20.220 11.421 0.000) 23.223 1.807 ( 2.474 17.120 0.000) 17.297 1.842 ( 1.511 15.739 0.000) 15.811 1.881 ( 20.962 22.564 0.000) 30.798 2.079 ( 2.649 6.522 0.000) 7.040 2.119 ( -4.692 12.871 0.000) 13.700 2.124 ( 1.088 16.224 0.000) 16.260 2.221 ( 3.278 6.621 0.000) 7.388 2.376 ( 14.075 6.636 0.000) 15.561 2.381 ( -2.047 12.235 0.000) 12.405 2.446 ( 4.555 10.420 0.000) 11.372 2.530 ( -9.188 11.257 0.000) 14.531 2.629 ( -2.434 2.314 0.000) 3.359 2.694 ( -2.983 8.497 0.000) 9.005 2.697 ( -5.234 9.107 0.000) 10.504 2.849 ( 0.543 9.123 0.000) 9.140 2.879 ( -9.462 9.103 0.000) 13.130 3.101 ( 0.019 18.923 0.000) 18.923 3.131 ( -1.443 15.941 0.000) 16.006 3.234 ( 13.853 0.817 0.000) 13.877 3.266 ( 13.060 -0.187 0.000) 13.062 3.591 ( -14.363 -2.991 0.000) 14.671 3.631 ( -16.152 -0.312 0.000) 16.155 3.850 ( 6.404 5.960 0.000) 8.748 3.930 ( 1.875 3.555 0.000) 4.019 4.376 ( 2.428 -0.384 0.000) 2.458 4.428 ( -6.648 0.488 0.000) 6.666 4.570 ( -2.738 -1.686 0.000) 3.215 4.617 ( -7.076 -0.865 0.000) 7.129 4.761 ( 2.596 -5.339 0.000) 5.937 4.771 ( 1.223 -6.730 0.000) 6.840 5.217 ( 4.946 -0.245 0.000) 4.952 5.321 ( -5.977 -0.500 0.000) 5.998 5.558 ( 2.511 -2.357 0.000) 3.443 5.575 ( -0.368 -2.205 0.000) 2.236 5.773 ( 11.167 -3.529 0.000) 11.711 5.983 ( -9.913 -4.267 0.000) 10.792 7.124 ( 0.341 10.257 0.000) 10.263 7.159 ( -3.627 11.976 0.000) 12.514 7.196 ( 5.771 4.890 0.000) 7.565 7.273 ( -2.443 4.489 0.000) 5.111 7.449 ( 4.446 3.160 0.000) 5.455 7.484 ( 0.877 3.337 0.000) 3.450 7.574 ( -1.002 -0.986 0.000) 1.406 7.592 ( -2.721 0.190 0.000) 2.728 8.068 ( 6.708 13.394 0.000) 14.980 8.164 ( -2.247 11.647 0.000) 11.862 8.270 ( 2.368 12.798 0.000) 13.015 8.332 ( -3.344 10.775 0.000) 11.282 8.709 ( 16.070 4.886 0.000) 16.796 8.803 ( 6.184 1.244 0.000) 6.308 8.931 ( -7.329 5.631 0.000) 9.243 8.964 ( -8.787 -0.178 0.000) 8.788 9.421 ( 3.333 -5.936 0.000) 6.808 9.494 ( -2.463 -3.796 0.000) 4.526 9.898 ( 3.610 7.550 0.000) 8.369 10.065 ( -10.249 -0.627 0.000) 10.268 10.078 ( 1.760 -12.779 0.000) 12.900 10.127 ( -3.903 -6.505 0.000) 7.586 10.343 ( 3.623 1.113 0.000) 3.790 10.402 ( 5.246 0.312 0.000) 5.255 10.733 ( 4.803 0.640 0.000) 4.846 10.976 ( -14.017 4.601 0.000) 14.752 11.308 ( -1.998 -13.451 0.000) 13.599 11.309 ( -0.914 -8.035 0.000) 8.086 11.487 ( 0.272 -7.196 0.000) 7.201 11.508 ( -1.871 -4.021 0.000) 4.435 11.734 ( 2.088 8.538 0.000) 8.790 11.754 ( 0.763 10.897 0.000) 10.924 12.478 ( -0.178 -4.581 0.000) 4.584 12.513 ( -3.649 -3.588 0.000) 5.117 12.933 ( 0.950 -5.582 0.000) 5.662 12.941 ( 0.146 -6.806 0.000) 6.807 14.858 ( 3.679 1.837 0.000) 4.112 14.923 ( -2.603 0.121 0.000) 2.606 15.213 ( 4.123 -2.831 0.000) 5.001 15.286 ( -3.567 -0.913 0.000) 3.682 16.144 ( 2.179 -8.981 0.000) 9.241 16.191 ( -2.703 -8.935 0.000) 9.335 16.391 ( -0.174 -9.486 0.000) 9.488 16.396 ( -0.186 -9.003 0.000) 9.005 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 23.861 0.000) 23.861 1.090 ( 0.000 24.747 0.000) 24.747 1.867 ( 0.000 7.052 0.000) 7.052 2.029 ( 0.000 9.758 0.000) 9.758 2.039 ( 0.000 2.071 0.000) 2.071 2.142 ( 0.000 44.082 0.000) 44.082 2.144 ( 0.000 18.784 0.000) 18.784 2.218 ( 0.000 16.720 0.000) 16.720 2.271 ( 0.000 12.283 0.000) 12.283 2.310 ( 0.000 5.079 0.000) 5.079 2.480 ( 0.000 1.289 0.000) 1.289 2.522 ( 0.000 2.961 0.000) 2.961 2.616 ( 0.000 16.001 0.000) 16.001 2.631 ( 0.000 25.439 0.000) 25.439 2.668 ( 0.000 20.535 0.000) 20.535 2.787 ( 0.000 9.349 0.000) 9.349 2.800 ( 0.000 16.634 0.000) 16.634 3.016 ( 0.000 16.837 0.000) 16.837 3.028 ( 0.000 7.061 0.000) 7.061 3.075 ( 0.000 0.864 0.000) 0.864 3.191 ( 0.000 22.927 0.000) 22.927 3.467 ( 0.000 17.353 0.000) 17.353 3.662 ( 0.000 26.076 0.000) 26.076 3.740 ( 0.000 7.253 0.000) 7.253 3.780 ( 0.000 16.242 0.000) 16.242 3.923 ( 0.000 13.608 0.000) 13.608 3.985 ( 0.000 1.817 0.000) 1.817 4.088 ( 0.000 16.047 0.000) 16.047 4.339 ( 0.000 3.521 0.000) 3.521 4.516 ( 0.000 -4.289 0.000) 4.289 4.575 ( 0.000 5.283 0.000) 5.283 4.580 ( 0.000 -4.399 0.000) 4.399 4.776 ( 0.000 -2.464 0.000) 2.464 4.939 ( 0.000 -1.315 0.000) 1.315 5.152 ( 0.000 1.971 0.000) 1.971 5.274 ( 0.000 -0.409 0.000) 0.409 5.427 ( 0.000 2.505 0.000) 2.505 5.455 ( 0.000 -5.356 0.000) 5.356 5.746 ( 0.000 -3.188 0.000) 3.188 5.922 ( 0.000 -10.120 0.000) 10.120 6.923 ( 0.000 -0.825 0.000) 0.825 7.041 ( 0.000 -10.022 0.000) 10.022 7.251 ( 0.000 -2.758 0.000) 2.758 7.350 ( 0.000 -4.493 0.000) 4.493 7.480 ( 0.000 3.353 0.000) 3.353 7.606 ( 0.000 3.774 0.000) 3.774 7.659 ( 0.000 13.595 0.000) 13.595 7.740 ( 0.000 5.226 0.000) 5.226 8.286 ( 0.000 6.302 0.000) 6.302 8.361 ( 0.000 21.150 0.000) 21.150 8.388 ( 0.000 11.081 0.000) 11.081 8.590 ( 0.000 0.803 0.000) 0.803 8.681 ( 0.000 22.094 0.000) 22.094 8.763 ( 0.000 3.201 0.000) 3.201 8.922 ( 0.000 -6.324 0.000) 6.324 9.261 ( 0.000 11.792 0.000) 11.792 9.279 ( 0.000 -10.794 0.000) 10.794 9.475 ( 0.000 -14.100 0.000) 14.100 9.768 ( 0.000 -10.679 0.000) 10.679 9.891 ( 0.000 17.641 0.000) 17.641 10.023 ( 0.000 4.462 0.000) 4.462 10.123 ( 0.000 -5.264 0.000) 5.264 10.337 ( 0.000 7.294 0.000) 7.294 10.670 ( 0.000 -8.163 0.000) 8.163 10.837 ( 0.000 2.400 0.000) 2.400 11.080 ( 0.000 -8.819 0.000) 8.819 11.134 ( 0.000 1.096 0.000) 1.096 11.175 ( 0.000 -7.331 0.000) 7.331 11.505 ( 0.000 -2.114 0.000) 2.114 11.763 ( 0.000 2.808 0.000) 2.808 11.889 ( 0.000 1.813 0.000) 1.813 11.901 ( 0.000 7.373 0.000) 7.373 12.297 ( 0.000 -18.378 0.000) 18.378 12.618 ( 0.000 -5.284 0.000) 5.284 12.623 ( 0.000 -16.830 0.000) 16.830 12.708 ( 0.000 -11.126 0.000) 11.126 14.845 ( 0.000 -1.130 0.000) 1.130 14.921 ( 0.000 -1.876 0.000) 1.876 14.979 ( 0.000 -6.477 0.000) 6.477 15.353 ( 0.000 -3.798 0.000) 3.798 15.878 ( 0.000 -12.027 0.000) 12.027 16.001 ( 0.000 -15.460 0.000) 15.460 16.122 ( 0.000 -15.721 0.000) 15.721 16.143 ( 0.000 -17.449 0.000) 17.449 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 6.999 21.630 0.000) 22.735 1.172 ( 8.209 22.171 0.000) 23.642 1.848 ( -5.501 6.886 0.000) 8.814 2.046 ( -1.130 6.564 0.000) 6.661 2.108 ( 8.162 7.409 0.000) 11.023 2.111 ( -11.834 8.222 0.000) 14.410 2.175 ( -0.073 20.976 0.000) 20.976 2.202 ( 4.304 19.088 0.000) 19.567 2.254 ( 7.784 33.812 0.000) 34.696 2.271 ( 1.320 4.015 0.000) 4.226 2.530 ( 0.021 8.445 0.000) 8.445 2.596 ( -2.228 13.008 0.000) 13.197 2.645 ( 3.133 22.895 0.000) 23.109 2.673 ( 4.734 14.987 0.000) 15.717 2.722 ( 12.615 10.414 0.000) 16.358 2.744 ( -4.604 13.616 0.000) 14.373 2.768 ( -2.364 7.001 0.000) 7.389 2.927 ( -1.784 8.748 0.000) 8.928 3.109 ( 3.568 4.692 0.000) 5.894 3.182 ( -0.597 20.937 0.000) 20.945 3.185 ( 8.111 16.103 0.000) 18.031 3.401 ( -6.881 17.128 0.000) 18.458 3.641 ( -2.852 25.983 0.000) 26.139 3.681 ( -7.946 22.592 0.000) 23.949 3.700 ( -4.341 1.916 0.000) 4.745 3.888 ( -9.824 2.104 0.000) 10.046 3.989 ( 6.000 13.042 0.000) 14.356 4.074 ( -0.851 18.298 0.000) 18.318 4.360 ( 2.049 3.390 0.000) 3.961 4.502 ( -2.101 -4.489 0.000) 4.957 4.582 ( -0.952 1.041 0.000) 1.410 4.599 ( 2.123 -2.959 0.000) 3.641 4.735 ( -4.677 -3.017 0.000) 5.565 4.795 ( -9.263 2.641 0.000) 9.632 5.170 ( 2.520 3.430 0.000) 4.256 5.394 ( 7.393 -3.825 0.000) 8.323 5.421 ( -1.887 1.574 0.000) 2.457 5.517 ( 6.908 -4.338 0.000) 8.157 5.597 ( -8.512 -2.875 0.000) 8.985 5.971 ( 0.096 -7.935 0.000) 7.935 6.978 ( 4.343 -3.117 0.000) 5.346 7.034 ( -0.139 -9.020 0.000) 9.021 7.318 ( 6.145 -2.293 0.000) 6.559 7.324 ( 0.370 -3.412 0.000) 3.432 7.554 ( 4.677 4.683 0.000) 6.618 7.604 ( -2.057 1.826 0.000) 2.751 7.640 ( -0.527 14.094 0.000) 14.104 7.730 ( -2.026 5.067 0.000) 5.457 8.356 ( 0.286 20.622 0.000) 20.624 8.388 ( 2.863 11.477 0.000) 11.828 8.451 ( 12.963 7.653 0.000) 15.053 8.557 ( -1.316 1.932 0.000) 2.338 8.677 ( -0.047 18.021 0.000) 18.021 8.787 ( 1.634 4.505 0.000) 4.792 8.959 ( 3.107 -2.194 0.000) 3.804 9.197 ( -4.107 11.322 0.000) 12.044 9.345 ( 3.542 -9.334 0.000) 9.983 9.359 ( -8.525 -8.716 0.000) 12.192 9.769 ( 0.647 -12.019 0.000) 12.037 10.014 ( -3.661 -6.976 0.000) 7.878 10.030 ( 9.024 13.374 0.000) 16.134 10.106 ( 1.087 1.948 0.000) 2.231 10.312 ( -0.311 4.114 0.000) 4.126 10.550 ( -11.474 -3.935 0.000) 12.130 10.775 ( -5.022 0.956 0.000) 5.112 11.055 ( 0.621 -5.107 0.000) 5.145 11.219 ( 2.812 -1.255 0.000) 3.079 11.223 ( 3.831 -4.228 0.000) 5.705 11.410 ( -7.006 -2.779 0.000) 7.537 11.670 ( -16.591 2.699 0.000) 16.809 11.853 ( 6.582 3.912 0.000) 7.657 11.878 ( -2.329 7.060 0.000) 7.434 12.294 ( -0.288 -15.744 0.000) 15.746 12.515 ( -8.306 -7.928 0.000) 11.482 12.666 ( 3.319 -16.250 0.000) 16.585 12.740 ( 1.314 -11.085 0.000) 11.162 14.852 ( 0.988 -0.107 0.000) 0.994 14.927 ( 0.506 -1.228 0.000) 1.329 15.027 ( 4.478 -6.362 0.000) 7.780 15.318 ( -3.405 -3.599 0.000) 4.954 15.881 ( 0.488 -13.378 0.000) 13.387 15.987 ( -1.585 -15.485 0.000) 15.566 16.133 ( -0.586 -16.694 0.000) 16.704 16.140 ( 1.299 -15.271 0.000) 15.326 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 19.070 13.776 0.000) 23.526 1.378 ( 12.896 16.663 0.000) 21.071 1.643 ( -13.630 11.887 0.000) 18.085 1.726 ( -21.865 10.195 0.000) 24.125 2.137 ( 4.202 8.678 0.000) 9.642 2.186 ( -0.431 15.244 0.000) 15.250 2.261 ( 3.609 6.693 0.000) 7.604 2.267 ( 2.126 16.652 0.000) 16.787 2.350 ( 6.280 14.863 0.000) 16.135 2.421 ( 10.413 13.748 0.000) 17.246 2.443 ( -5.137 17.488 0.000) 18.227 2.592 ( -2.197 4.644 0.000) 5.138 2.650 ( -3.384 7.442 0.000) 8.176 2.674 ( -7.327 5.365 0.000) 9.081 2.779 ( 5.023 13.949 0.000) 14.826 2.798 ( 9.386 24.075 0.000) 25.839 2.875 ( 4.389 20.743 0.000) 21.202 2.971 ( 4.137 12.715 0.000) 13.371 3.166 ( -1.168 17.330 0.000) 17.369 3.212 ( -10.533 22.057 0.000) 24.443 3.261 ( 11.849 3.167 0.000) 12.265 3.309 ( 4.695 11.319 0.000) 12.254 3.514 ( -8.033 9.108 0.000) 12.144 3.576 ( -3.640 25.965 0.000) 26.219 3.625 ( -3.054 17.178 0.000) 17.448 3.641 ( -12.911 2.013 0.000) 13.067 4.089 ( 2.382 18.714 0.000) 18.865 4.100 ( 3.439 14.380 0.000) 14.785 4.404 ( 2.103 2.457 0.000) 3.234 4.437 ( -2.998 -0.486 0.000) 3.037 4.531 ( -1.505 -1.236 0.000) 1.947 4.599 ( -7.594 -1.505 0.000) 7.741 4.654 ( 2.499 -2.553 0.000) 3.572 4.700 ( -2.383 1.456 0.000) 2.793 5.239 ( 4.338 2.651 0.000) 5.084 5.331 ( -5.594 1.605 0.000) 5.820 5.488 ( 3.065 -4.676 0.000) 5.591 5.524 ( -1.237 -3.133 0.000) 3.368 5.700 ( 10.924 -3.915 0.000) 11.604 5.889 ( -8.054 -5.532 0.000) 9.771 7.037 ( 1.458 -6.788 0.000) 6.943 7.041 ( 0.572 -8.132 0.000) 8.152 7.389 ( 5.634 -1.883 0.000) 5.940 7.456 ( 6.678 -1.453 0.000) 6.834 7.520 ( -4.279 2.135 0.000) 4.782 7.614 ( -0.278 7.496 0.000) 7.501 7.639 ( -5.207 5.635 0.000) 7.673 7.644 ( -0.155 12.790 0.000) 12.791 8.392 ( 2.796 16.870 0.000) 17.100 8.417 ( 0.554 11.980 0.000) 11.993 8.564 ( 1.353 9.742 0.000) 9.835 8.592 ( -1.075 16.296 0.000) 16.331 8.838 ( 4.657 2.532 0.000) 5.300 8.843 ( 15.356 8.144 0.000) 17.382 8.969 ( -2.765 1.673 0.000) 3.232 9.098 ( -7.265 11.436 0.000) 13.548 9.279 ( 2.263 -7.492 0.000) 7.826 9.363 ( -2.780 -8.803 0.000) 9.231 9.804 ( 3.541 -13.259 0.000) 13.724 9.907 ( -6.333 -10.856 0.000) 12.568 10.074 ( -1.598 7.752 0.000) 7.915 10.102 ( -3.918 -1.734 0.000) 4.284 10.382 ( -1.477 4.327 0.000) 4.572 10.393 ( 3.079 1.138 0.000) 3.282 10.760 ( 8.284 1.932 0.000) 8.506 11.058 ( -15.075 -2.120 0.000) 15.223 11.122 ( 2.099 2.062 0.000) 2.943 11.224 ( -5.423 0.082 0.000) 5.423 11.357 ( 3.263 -4.822 0.000) 5.822 11.446 ( -6.068 -2.000 0.000) 6.389 11.898 ( 4.021 7.487 0.000) 8.498 11.941 ( 1.389 7.056 0.000) 7.191 12.293 ( 0.693 -13.927 0.000) 13.944 12.358 ( -6.752 -12.123 0.000) 13.876 12.719 ( 2.030 -15.186 0.000) 15.321 12.744 ( -0.672 -13.316 0.000) 13.333 14.887 ( 2.410 0.511 0.000) 2.464 14.924 ( -1.112 -0.071 0.000) 1.114 15.128 ( 5.761 -5.606 0.000) 8.038 15.234 ( -5.217 -4.261 0.000) 6.736 15.902 ( 1.730 -14.799 0.000) 14.900 15.944 ( -2.558 -15.372 0.000) 15.584 16.136 ( 0.819 -15.412 0.000) 15.433 16.151 ( -0.335 -14.933 0.000) 14.937 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 19.584 0.000) 19.584 1.534 ( 0.000 19.654 0.000) 19.654 2.002 ( 0.000 7.172 0.000) 7.172 2.074 ( 0.000 1.445 0.000) 1.445 2.240 ( 0.000 11.303 0.000) 11.303 2.324 ( 0.000 1.282 0.000) 1.282 2.337 ( 0.000 1.998 0.000) 1.998 2.487 ( 0.000 -0.801 0.000) 0.801 2.491 ( 0.000 10.486 0.000) 10.486 2.545 ( 0.000 3.049 0.000) 3.049 2.632 ( 0.000 19.317 0.000) 19.317 2.819 ( 0.000 16.552 0.000) 16.552 2.953 ( 0.000 18.685 0.000) 18.685 2.980 ( 0.000 7.003 0.000) 7.003 3.002 ( 0.000 10.592 0.000) 10.592 3.088 ( 0.000 13.205 0.000) 13.205 3.103 ( 0.000 14.120 0.000) 14.120 3.220 ( 0.000 11.244 0.000) 11.244 3.276 ( 0.000 12.329 0.000) 12.329 3.397 ( 0.000 36.419 0.000) 36.419 3.597 ( 0.000 18.301 0.000) 18.301 3.787 ( 0.000 0.654 0.000) 0.654 3.812 ( 0.000 11.219 0.000) 11.219 3.897 ( 0.000 4.930 0.000) 4.930 4.209 ( 0.000 12.233 0.000) 12.233 4.245 ( 0.000 29.683 0.000) 29.683 4.332 ( 0.000 -6.434 0.000) 6.434 4.349 ( 0.000 26.622 0.000) 26.622 4.438 ( 0.000 -0.856 0.000) 0.856 4.545 ( 0.000 23.480 0.000) 23.480 4.610 ( 0.000 9.386 0.000) 9.386 4.718 ( 0.000 0.038 0.000) 0.038 4.813 ( 0.000 17.885 0.000) 17.885 4.914 ( 0.000 1.282 0.000) 1.282 5.235 ( 0.000 -4.018 0.000) 4.018 5.290 ( 0.000 11.117 0.000) 11.117 5.375 ( 0.000 -1.624 0.000) 1.624 5.462 ( 0.000 1.045 0.000) 1.045 5.695 ( 0.000 -1.861 0.000) 1.861 5.738 ( 0.000 -7.585 0.000) 7.585 6.843 ( 0.000 -8.431 0.000) 8.431 6.916 ( 0.000 0.058 0.000) 0.058 7.189 ( 0.000 -3.324 0.000) 3.324 7.266 ( 0.000 -3.622 0.000) 3.622 7.563 ( 0.000 4.528 0.000) 4.528 7.667 ( 0.000 1.465 0.000) 1.465 7.802 ( 0.000 0.959 0.000) 0.959 7.850 ( 0.000 5.992 0.000) 5.992 8.349 ( 0.000 -0.020 0.000) 0.020 8.449 ( 0.000 -11.923 0.000) 11.923 8.494 ( 0.000 0.425 0.000) 0.425 8.683 ( 0.000 9.593 0.000) 9.593 8.855 ( 0.000 5.799 0.000) 5.799 8.874 ( 0.000 0.151 0.000) 0.151 9.043 ( 0.000 -12.628 0.000) 12.628 9.064 ( 0.000 5.245 0.000) 5.245 9.266 ( 0.000 4.585 0.000) 4.585 9.543 ( 0.000 14.631 0.000) 14.631 9.695 ( 0.000 2.531 0.000) 2.531 10.054 ( 0.000 -2.179 0.000) 2.179 10.067 ( 0.000 -0.647 0.000) 0.647 10.266 ( 0.000 16.917 0.000) 16.917 10.436 ( 0.000 4.382 0.000) 4.382 10.493 ( 0.000 -9.461 0.000) 9.461 10.914 ( 0.000 5.491 0.000) 5.491 11.060 ( 0.000 -3.979 0.000) 3.979 11.101 ( 0.000 10.811 0.000) 10.811 11.123 ( 0.000 -2.643 0.000) 2.643 11.452 ( 0.000 -3.206 0.000) 3.206 11.701 ( 0.000 -9.885 0.000) 9.885 11.846 ( 0.000 -23.554 0.000) 23.554 11.928 ( 0.000 -0.694 0.000) 0.694 12.031 ( 0.000 3.901 0.000) 3.901 12.315 ( 0.000 -11.300 0.000) 11.300 12.416 ( 0.000 -15.016 0.000) 15.016 12.487 ( 0.000 -10.252 0.000) 10.252 14.775 ( 0.000 -5.363 0.000) 5.363 14.856 ( 0.000 -5.536 0.000) 5.536 14.896 ( 0.000 -0.265 0.000) 0.265 15.263 ( 0.000 -5.115 0.000) 5.115 15.619 ( 0.000 -13.482 0.000) 13.482 15.660 ( 0.000 -18.201 0.000) 18.201 15.779 ( 0.000 -18.020 0.000) 18.020 15.788 ( 0.000 -17.202 0.000) 17.202 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 3.476 19.355 0.000) 19.665 1.578 ( 4.521 18.225 0.000) 18.778 1.992 ( -2.014 7.387 0.000) 7.657 2.110 ( 3.982 1.359 0.000) 4.208 2.248 ( -1.189 5.113 0.000) 5.250 2.249 ( -13.713 5.280 0.000) 14.695 2.347 ( 6.482 6.235 0.000) 8.994 2.463 ( 7.882 6.858 0.000) 10.448 2.500 ( 0.347 10.267 0.000) 10.273 2.638 ( 0.856 4.024 0.000) 4.114 2.661 ( 1.196 7.991 0.000) 8.080 2.854 ( -4.895 6.011 0.000) 7.752 2.896 ( 6.722 11.788 0.000) 13.570 2.902 ( -5.556 16.443 0.000) 17.356 2.994 ( -4.037 19.585 0.000) 19.996 3.023 ( 1.796 8.812 0.000) 8.993 3.118 ( -4.045 16.351 0.000) 16.844 3.201 ( 5.558 9.436 0.000) 10.952 3.438 ( 3.900 32.507 0.000) 32.740 3.495 ( 11.037 12.132 0.000) 16.401 3.547 ( -5.889 14.244 0.000) 15.413 3.748 ( -2.399 7.898 0.000) 8.254 3.755 ( -4.870 13.323 0.000) 14.185 3.828 ( -5.968 2.370 0.000) 6.421 4.186 ( -5.041 25.465 0.000) 25.959 4.272 ( 2.803 16.736 0.000) 16.970 4.281 ( -4.500 23.701 0.000) 24.125 4.347 ( 1.431 -4.783 0.000) 4.992 4.429 ( -0.754 -1.111 0.000) 1.343 4.549 ( 0.723 23.074 0.000) 23.085 4.659 ( -0.017 8.022 0.000) 8.022 4.704 ( 1.888 6.179 0.000) 6.461 4.720 ( -5.962 12.994 0.000) 14.297 4.925 ( -0.979 12.226 0.000) 12.265 5.256 ( 2.136 -0.994 0.000) 2.356 5.331 ( 3.457 4.439 0.000) 5.627 5.442 ( -2.306 0.459 0.000) 2.351 5.448 ( 7.151 -2.646 0.000) 7.624 5.555 ( -7.295 -0.877 0.000) 7.347 5.812 ( 1.124 -7.490 0.000) 7.574 6.857 ( 1.385 -7.652 0.000) 7.777 6.929 ( 0.652 -1.861 0.000) 1.972 7.254 ( 6.272 -3.764 0.000) 7.315 7.256 ( 0.522 -2.967 0.000) 3.012 7.612 ( -5.148 -0.789 0.000) 5.208 7.641 ( 7.199 3.848 0.000) 8.163 7.791 ( -3.347 1.511 0.000) 3.672 7.863 ( 1.053 8.097 0.000) 8.165 8.462 ( 4.141 -9.685 0.000) 10.533 8.513 ( 15.485 -0.947 0.000) 15.514 8.521 ( 2.700 1.361 0.000) 3.024 8.670 ( -0.941 9.455 0.000) 9.502 8.852 ( -1.305 2.144 0.000) 2.510 8.896 ( 1.948 6.135 0.000) 6.436 9.102 ( 5.517 -11.681 0.000) 12.918 9.122 ( 2.406 -6.831 0.000) 7.242 9.216 ( -2.135 16.832 0.000) 16.967 9.508 ( -3.548 15.957 0.000) 16.347 9.652 ( -3.899 -0.321 0.000) 3.912 9.858 ( -10.735 -8.311 0.000) 13.576 10.119 ( -3.717 -2.303 0.000) 4.373 10.283 ( -4.932 4.125 0.000) 6.430 10.418 ( 4.610 12.846 0.000) 13.649 10.480 ( -0.187 -2.488 0.000) 2.495 10.814 ( -5.975 2.906 0.000) 6.644 11.104 ( 1.257 10.488 0.000) 10.563 11.170 ( 7.627 -0.442 0.000) 7.639 11.192 ( 4.716 -2.642 0.000) 5.405 11.398 ( -4.512 0.946 0.000) 4.610 11.689 ( -16.977 -4.673 0.000) 17.608 11.785 ( 7.172 -12.098 0.000) 14.064 11.851 ( -0.109 -12.668 0.000) 12.669 12.079 ( 0.436 -0.119 0.000) 0.452 12.312 ( -9.225 -12.289 0.000) 15.366 12.343 ( 2.393 -13.452 0.000) 13.663 12.486 ( -1.191 -12.986 0.000) 13.040 14.804 ( 2.807 -4.270 0.000) 5.110 14.898 ( 3.967 -6.239 0.000) 7.393 14.913 ( 1.522 0.078 0.000) 1.524 15.229 ( -3.567 -5.073 0.000) 6.201 15.592 ( -1.719 -15.219 0.000) 15.316 15.645 ( -1.562 -18.166 0.000) 18.233 15.792 ( 0.677 -16.625 0.000) 16.638 15.813 ( 2.333 -16.827 0.000) 16.988 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 10.709 14.896 0.000) 18.346 1.690 ( 6.159 13.961 0.000) 15.260 1.886 ( -7.543 11.727 0.000) 13.943 1.932 ( -16.108 10.410 0.000) 19.179 2.226 ( 6.480 2.770 0.000) 7.047 2.286 ( 1.828 1.732 0.000) 2.518 2.469 ( 1.842 5.518 0.000) 5.818 2.524 ( -3.975 4.582 0.000) 6.066 2.537 ( 8.007 10.756 0.000) 13.409 2.654 ( 1.987 5.345 0.000) 5.703 2.689 ( 2.878 7.843 0.000) 8.355 2.765 ( -6.219 14.566 0.000) 15.838 2.852 ( -0.024 9.413 0.000) 9.413 2.893 ( -3.684 15.192 0.000) 15.633 3.030 ( -0.258 7.394 0.000) 7.399 3.031 ( 2.244 12.290 0.000) 12.493 3.140 ( 8.010 13.061 0.000) 15.322 3.328 ( 2.704 5.195 0.000) 5.857 3.370 ( -5.480 7.057 0.000) 8.935 3.524 ( 4.846 19.998 0.000) 20.577 3.533 ( -7.211 6.093 0.000) 9.440 3.636 ( -7.407 14.880 0.000) 16.622 3.772 ( 4.865 25.977 0.000) 26.428 3.808 ( 3.459 15.150 0.000) 15.540 4.084 ( -4.867 20.665 0.000) 21.231 4.099 ( -8.351 25.799 0.000) 27.117 4.379 ( 1.732 -2.776 0.000) 3.272 4.398 ( 3.238 6.313 0.000) 7.095 4.421 ( 3.376 4.316 0.000) 5.479 4.561 ( -7.244 10.168 0.000) 12.485 4.576 ( 1.940 17.934 0.000) 18.038 4.631 ( -3.657 16.865 0.000) 17.257 4.797 ( 5.074 14.990 0.000) 15.826 4.878 ( -3.517 15.916 0.000) 16.300 5.309 ( 3.237 1.702 0.000) 3.657 5.376 ( -3.882 1.788 0.000) 4.274 5.398 ( 3.433 -0.873 0.000) 3.542 5.461 ( -3.396 -1.518 0.000) 3.720 5.611 ( 9.094 -5.063 0.000) 10.409 5.761 ( -5.977 -7.028 0.000) 9.226 6.890 ( 1.939 -6.402 0.000) 6.689 6.923 ( -1.279 -4.694 0.000) 4.865 7.316 ( 5.313 -4.023 0.000) 6.664 7.379 ( 3.324 -5.476 0.000) 6.406 7.523 ( -0.561 0.265 0.000) 0.620 7.654 ( -9.546 0.776 0.000) 9.578 7.788 ( 6.841 5.671 0.000) 8.886 7.867 ( -1.396 8.323 0.000) 8.439 8.581 ( 3.144 3.746 0.000) 4.891 8.593 ( 4.537 -1.547 0.000) 4.794 8.681 ( 4.440 5.287 0.000) 6.904 8.747 ( 1.744 -0.390 0.000) 1.788 8.897 ( -0.498 1.790 0.000) 1.858 8.920 ( 7.150 -5.138 0.000) 8.804 9.037 ( -0.583 3.444 0.000) 3.493 9.174 ( -1.101 -4.604 0.000) 4.734 9.313 ( 6.784 15.899 0.000) 17.286 9.419 ( -5.578 16.895 0.000) 17.792 9.591 ( -0.666 -8.080 0.000) 8.107 9.678 ( -8.365 -11.478 0.000) 14.203 10.014 ( -2.349 -6.986 0.000) 7.370 10.105 ( -9.900 -3.560 0.000) 10.521 10.502 ( 2.156 6.508 0.000) 6.856 10.531 ( 1.332 10.570 0.000) 10.654 10.818 ( 9.845 4.454 0.000) 10.806 11.072 ( -9.857 5.582 0.000) 11.328 11.234 ( 1.410 5.637 0.000) 5.811 11.298 ( 0.489 5.032 0.000) 5.056 11.313 ( 0.922 1.345 0.000) 1.631 11.420 ( -7.871 -1.214 0.000) 7.964 11.905 ( 6.374 -15.045 0.000) 16.339 11.924 ( 6.529 -14.177 0.000) 15.608 12.045 ( -3.444 -3.214 0.000) 4.710 12.107 ( -11.135 -8.968 0.000) 14.298 12.391 ( 2.643 -14.859 0.000) 15.092 12.444 ( -2.818 -14.465 0.000) 14.737 14.868 ( 3.409 -2.410 0.000) 4.175 14.915 ( -1.151 -1.377 0.000) 1.795 15.009 ( 6.611 -5.450 0.000) 8.568 15.134 ( -6.146 -5.254 0.000) 8.086 15.579 ( 0.515 -17.064 0.000) 17.072 15.607 ( -2.128 -17.875 0.000) 18.001 15.816 ( 1.628 -15.806 0.000) 15.889 15.837 ( -0.064 -15.843 0.000) 15.843 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 14.123 0.000) 14.123 1.860 ( 0.000 13.010 0.000) 13.010 2.104 ( 0.000 1.998 0.000) 1.998 2.145 ( 0.000 6.817 0.000) 6.817 2.310 ( 0.000 -1.690 0.000) 1.690 2.358 ( 0.000 0.345 0.000) 0.345 2.468 ( 0.000 -0.682 0.000) 0.682 2.475 ( 0.000 12.092 0.000) 12.092 2.567 ( 0.000 -0.356 0.000) 0.356 2.705 ( 0.000 11.156 0.000) 11.156 2.932 ( 0.000 1.290 0.000) 1.290 2.994 ( 0.000 16.929 0.000) 16.929 3.051 ( 0.000 1.688 0.000) 1.688 3.100 ( 0.000 2.210 0.000) 2.210 3.293 ( 0.000 10.098 0.000) 10.098 3.356 ( 0.000 10.607 0.000) 10.607 3.408 ( 0.000 9.339 0.000) 9.339 3.459 ( 0.000 19.713 0.000) 19.713 3.508 ( 0.000 8.539 0.000) 8.539 3.732 ( 0.000 5.011 0.000) 5.011 3.809 ( 0.000 2.529 0.000) 2.529 3.876 ( 0.000 3.313 0.000) 3.313 4.058 ( 0.000 4.631 0.000) 4.631 4.072 ( 0.000 -1.952 0.000) 1.952 4.269 ( 0.000 -1.655 0.000) 1.655 4.321 ( 0.000 27.283 0.000) 27.283 4.508 ( 0.000 -6.156 0.000) 6.156 4.607 ( 0.000 10.968 0.000) 10.968 4.794 ( 0.000 5.579 0.000) 5.579 4.831 ( 0.000 18.495 0.000) 18.495 4.871 ( 0.000 26.327 0.000) 26.327 5.029 ( 0.000 -0.844 0.000) 0.844 5.064 ( 0.000 14.954 0.000) 14.954 5.126 ( 0.000 24.450 0.000) 24.450 5.313 ( 0.000 10.132 0.000) 10.132 5.408 ( 0.000 11.948 0.000) 11.948 5.507 ( 0.000 3.391 0.000) 3.391 5.575 ( 0.000 17.039 0.000) 17.039 5.654 ( 0.000 1.250 0.000) 1.250 5.679 ( 0.000 0.756 0.000) 0.756 6.746 ( 0.000 -0.872 0.000) 0.872 6.913 ( 0.000 -0.806 0.000) 0.806 7.122 ( 0.000 -3.209 0.000) 3.209 7.210 ( 0.000 -2.346 0.000) 2.346 7.637 ( 0.000 2.603 0.000) 2.603 7.651 ( 0.000 -2.457 0.000) 2.457 7.787 ( 0.000 -2.051 0.000) 2.051 7.919 ( 0.000 1.277 0.000) 1.277 8.249 ( 0.000 -5.728 0.000) 5.728 8.333 ( 0.000 -0.525 0.000) 0.525 8.495 ( 0.000 1.256 0.000) 1.256 8.731 ( 0.000 -3.615 0.000) 3.615 8.780 ( 0.000 -12.665 0.000) 12.665 8.879 ( 0.000 0.318 0.000) 0.318 8.936 ( 0.000 -7.758 0.000) 7.758 8.995 ( 0.000 7.469 0.000) 7.469 9.582 ( 0.000 14.842 0.000) 14.842 9.799 ( 0.000 7.194 0.000) 7.194 9.829 ( 0.000 14.172 0.000) 14.172 9.911 ( 0.000 -12.455 0.000) 12.455 10.062 ( 0.000 -0.562 0.000) 0.562 10.304 ( 0.000 -9.203 0.000) 9.203 10.324 ( 0.000 -6.420 0.000) 6.420 10.690 ( 0.000 15.071 0.000) 15.071 10.971 ( 0.000 -8.017 0.000) 8.017 11.026 ( 0.000 -6.701 0.000) 6.701 11.056 ( 0.000 8.616 0.000) 8.616 11.293 ( 0.000 -27.012 0.000) 27.012 11.385 ( 0.000 -3.285 0.000) 3.285 11.430 ( 0.000 16.336 0.000) 16.336 11.437 ( 0.000 -12.069 0.000) 12.069 11.955 ( 0.000 2.008 0.000) 2.008 11.992 ( 0.000 -4.342 0.000) 4.342 12.040 ( 0.000 -22.014 0.000) 22.014 12.259 ( 0.000 2.020 0.000) 2.020 12.293 ( 0.000 -10.069 0.000) 10.069 14.666 ( 0.000 -4.755 0.000) 4.755 14.761 ( 0.000 -4.199 0.000) 4.199 14.919 ( 0.000 2.589 0.000) 2.589 15.155 ( 0.000 -5.667 0.000) 5.667 15.305 ( 0.000 -16.890 0.000) 16.890 15.366 ( 0.000 -11.506 0.000) 11.506 15.440 ( 0.000 -15.400 0.000) 15.400 15.499 ( 0.000 -11.296 0.000) 11.296 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 2.909 14.365 0.000) 14.656 1.882 ( 2.156 12.248 0.000) 12.437 2.129 ( 2.618 1.145 0.000) 2.858 2.134 ( -1.258 6.662 0.000) 6.779 2.302 ( -4.214 0.298 0.000) 4.224 2.303 ( -2.481 1.449 0.000) 2.873 2.487 ( 3.013 5.588 0.000) 6.349 2.563 ( 4.129 2.709 0.000) 4.938 2.582 ( 6.873 2.182 0.000) 7.211 2.718 ( -2.218 6.201 0.000) 6.586 2.852 ( -4.203 9.655 0.000) 10.530 2.950 ( -2.119 4.474 0.000) 4.951 3.076 ( 4.560 9.185 0.000) 10.255 3.103 ( -2.262 2.914 0.000) 3.689 3.218 ( -6.905 11.689 0.000) 13.576 3.366 ( -0.351 6.758 0.000) 6.767 3.416 ( -3.021 18.990 0.000) 19.228 3.444 ( 0.920 11.807 0.000) 11.843 3.623 ( 9.803 2.354 0.000) 10.082 3.676 ( -6.778 5.499 0.000) 8.728 3.753 ( -1.881 6.362 0.000) 6.634 3.836 ( -2.979 3.727 0.000) 4.772 3.978 ( -6.498 6.995 0.000) 9.547 4.115 ( 2.150 -4.945 0.000) 5.392 4.328 ( 3.990 -3.616 0.000) 5.385 4.342 ( 1.839 23.019 0.000) 23.093 4.467 ( -2.646 3.558 0.000) 4.434 4.602 ( -0.424 11.949 0.000) 11.957 4.777 ( -4.632 20.193 0.000) 20.718 4.793 ( -0.102 11.788 0.000) 11.788 4.941 ( 5.524 15.469 0.000) 16.426 5.012 ( 0.268 8.174 0.000) 8.178 5.120 ( -0.442 24.489 0.000) 24.493 5.123 ( 3.374 9.158 0.000) 9.760 5.347 ( 2.601 12.115 0.000) 12.391 5.428 ( 2.633 7.643 0.000) 8.084 5.483 ( -2.264 4.454 0.000) 4.996 5.567 ( -0.694 15.836 0.000) 15.852 5.591 ( -3.384 6.000 0.000) 6.888 5.702 ( -0.622 -2.324 0.000) 2.406 6.763 ( 1.596 -1.443 0.000) 2.152 6.893 ( -1.955 -1.956 0.000) 2.765 7.175 ( 4.997 -4.004 0.000) 6.403 7.211 ( 0.610 -1.817 0.000) 1.916 7.593 ( -4.184 -0.292 0.000) 4.194 7.691 ( 6.317 1.207 0.000) 6.432 7.820 ( -1.087 1.742 0.000) 2.053 7.964 ( 3.030 2.055 0.000) 3.661 8.256 ( 4.637 -8.865 0.000) 10.004 8.455 ( 10.775 -3.396 0.000) 11.298 8.515 ( 2.571 -0.501 0.000) 2.620 8.737 ( 0.642 -1.865 0.000) 1.972 8.836 ( -2.737 -4.101 0.000) 4.930 8.846 ( 3.397 -10.624 0.000) 11.154 8.997 ( 4.942 -1.355 0.000) 5.124 9.051 ( 6.589 6.135 0.000) 9.003 9.558 ( -3.282 8.261 0.000) 8.889 9.682 ( -14.150 -9.724 0.000) 17.169 9.715 ( -6.081 9.453 0.000) 11.240 9.821 ( -1.553 15.394 0.000) 15.472 10.003 ( -10.192 -8.250 0.000) 13.112 10.253 ( -8.640 -3.679 0.000) 9.390 10.440 ( 10.852 -2.762 0.000) 11.198 10.710 ( 3.029 12.080 0.000) 12.454 10.860 ( -5.517 -0.891 0.000) 5.589 11.072 ( 5.073 -8.587 0.000) 9.974 11.202 ( 9.117 2.676 0.000) 9.502 11.278 ( -2.717 -22.708 0.000) 22.870 11.421 ( 0.085 -1.904 0.000) 1.906 11.429 ( -0.133 13.228 0.000) 13.229 11.453 ( 4.695 -13.050 0.000) 13.869 11.806 ( -10.293 2.366 0.000) 10.562 11.972 ( -6.512 -21.061 0.000) 22.044 12.001 ( -2.616 -5.696 0.000) 6.268 12.254 ( -0.504 1.043 0.000) 1.158 12.283 ( -0.941 -8.695 0.000) 8.746 14.712 ( 4.393 -4.181 0.000) 6.064 14.786 ( 2.591 -5.098 0.000) 5.718 14.936 ( 1.297 2.330 0.000) 2.667 15.122 ( -3.252 -5.781 0.000) 6.633 15.294 ( -1.218 -16.661 0.000) 16.705 15.304 ( -3.853 -12.951 0.000) 13.512 15.505 ( 3.938 -13.605 0.000) 14.164 15.510 ( 1.215 -11.205 0.000) 11.271 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 4.505 12.351 0.000) 13.147 1.926 ( 1.388 10.002 0.000) 10.098 2.085 ( -2.966 8.146 0.000) 8.669 2.105 ( -5.802 6.112 0.000) 8.427 2.274 ( 4.321 2.291 0.000) 4.891 2.313 ( 1.634 1.085 0.000) 1.961 2.512 ( -0.706 0.535 0.000) 0.886 2.553 ( -5.140 0.145 0.000) 5.142 2.720 ( 8.374 4.426 0.000) 9.472 2.789 ( 7.464 8.184 0.000) 11.077 2.841 ( 2.806 11.256 0.000) 11.601 2.922 ( -6.675 2.205 0.000) 7.030 3.030 ( 0.696 7.907 0.000) 7.938 3.112 ( -1.651 7.399 0.000) 7.581 3.143 ( -0.508 6.037 0.000) 6.058 3.226 ( -10.050 3.545 0.000) 10.657 3.458 ( 1.959 13.210 0.000) 13.354 3.483 ( 6.911 9.851 0.000) 12.034 3.541 ( -5.601 13.144 0.000) 14.288 3.642 ( -7.247 7.980 0.000) 10.779 3.766 ( 2.878 8.965 0.000) 9.416 3.852 ( -5.589 8.717 0.000) 10.355 3.923 ( 9.967 -1.927 0.000) 10.152 4.087 ( -5.701 -5.401 0.000) 7.853 4.358 ( 0.335 2.142 0.000) 2.168 4.368 ( 0.098 -3.532 0.000) 3.533 4.485 ( 4.294 23.798 0.000) 24.182 4.574 ( -3.684 18.186 0.000) 18.556 4.725 ( 0.697 19.987 0.000) 19.999 4.770 ( -2.477 15.291 0.000) 15.490 5.025 ( 2.133 9.331 0.000) 9.572 5.029 ( 0.909 10.844 0.000) 10.882 5.128 ( 1.806 21.886 0.000) 21.961 5.158 ( -0.120 12.460 0.000) 12.461 5.385 ( 1.863 14.283 0.000) 14.404 5.432 ( -2.892 8.377 0.000) 8.862 5.515 ( 5.094 1.045 0.000) 5.200 5.549 ( -1.051 9.560 0.000) 9.618 5.560 ( 0.816 11.265 0.000) 11.295 5.644 ( -5.026 -2.431 0.000) 5.583 6.800 ( 2.268 -2.520 0.000) 3.390 6.847 ( -2.623 -2.925 0.000) 3.929 7.245 ( 2.537 -3.278 0.000) 4.145 7.262 ( 2.201 -5.800 0.000) 6.204 7.562 ( 2.597 3.972 0.000) 4.745 7.689 ( -8.611 3.495 0.000) 9.294 7.862 ( 8.387 1.896 0.000) 8.599 7.977 ( -2.660 2.807 0.000) 3.867 8.433 ( 10.769 -10.858 0.000) 15.293 8.551 ( 0.243 -6.982 0.000) 6.987 8.656 ( 6.877 -5.765 0.000) 8.974 8.741 ( -1.311 -0.196 0.000) 1.326 8.801 ( -0.016 -3.627 0.000) 3.628 8.840 ( -3.200 -5.508 0.000) 6.371 9.136 ( 9.662 5.459 0.000) 11.098 9.189 ( 5.039 2.239 0.000) 5.514 9.435 ( -6.506 -7.973 0.000) 10.290 9.482 ( -8.121 -5.545 0.000) 9.833 9.680 ( 1.550 16.628 0.000) 16.700 9.735 ( -6.125 6.417 0.000) 8.871 9.861 ( 0.440 -1.157 0.000) 1.238 10.018 ( -13.687 -3.370 0.000) 14.096 10.609 ( 6.589 3.594 0.000) 7.505 10.709 ( -4.270 6.503 0.000) 7.780 10.900 ( 10.135 -0.104 0.000) 10.136 11.123 ( -10.082 -7.818 0.000) 12.759 11.228 ( 6.821 -10.664 0.000) 12.659 11.320 ( 0.790 -0.414 0.000) 0.892 11.408 ( 0.352 -0.953 0.000) 1.016 11.426 ( -0.348 5.246 0.000) 5.257 11.569 ( 5.617 -10.792 0.000) 12.166 11.652 ( -5.075 -3.063 0.000) 5.928 11.854 ( -3.171 -15.570 0.000) 15.890 11.904 ( -6.251 -8.498 0.000) 10.549 12.250 ( 0.246 -1.913 0.000) 1.929 12.263 ( -1.033 -5.510 0.000) 5.606 14.804 ( 4.421 -3.490 0.000) 5.632 14.840 ( 1.545 -5.403 0.000) 5.619 14.960 ( 2.103 0.103 0.000) 2.106 15.039 ( -5.152 -4.301 0.000) 6.711 15.255 ( -0.899 -14.615 0.000) 14.642 15.265 ( -1.472 -15.833 0.000) 15.901 15.541 ( 1.657 -11.398 0.000) 11.517 15.552 ( 0.846 -12.253 0.000) 12.282 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 10.538 0.000) 10.538 2.036 ( 0.000 4.822 0.000) 4.822 2.180 ( 0.000 5.908 0.000) 5.908 2.251 ( 0.000 3.521 0.000) 3.521 2.269 ( 0.000 -2.328 0.000) 2.328 2.352 ( 0.000 -0.791 0.000) 0.791 2.468 ( 0.000 0.535 0.000) 0.535 2.542 ( 0.000 -2.030 0.000) 2.030 2.712 ( 0.000 11.455 0.000) 11.455 2.922 ( 0.000 9.587 0.000) 9.587 2.960 ( 0.000 2.064 0.000) 2.064 3.089 ( 0.000 3.138 0.000) 3.138 3.112 ( 0.000 -0.664 0.000) 0.664 3.287 ( 0.000 11.715 0.000) 11.715 3.356 ( 0.000 0.021 0.000) 0.021 3.505 ( 0.000 5.147 0.000) 5.147 3.581 ( 0.000 4.964 0.000) 4.964 3.585 ( 0.000 0.170 0.000) 0.170 3.742 ( 0.000 2.451 0.000) 2.451 3.791 ( 0.000 0.527 0.000) 0.527 3.909 ( 0.000 7.159 0.000) 7.159 3.909 ( 0.000 -0.857 0.000) 0.857 3.920 ( 0.000 0.340 0.000) 0.340 4.175 ( 0.000 8.505 0.000) 8.505 4.271 ( 0.000 2.320 0.000) 2.320 4.369 ( 0.000 -6.191 0.000) 6.191 4.607 ( 0.000 -9.003 0.000) 9.003 4.660 ( 0.000 -3.248 0.000) 3.248 5.036 ( 0.000 23.542 0.000) 23.542 5.041 ( 0.000 4.835 0.000) 4.835 5.070 ( 0.000 1.846 0.000) 1.846 5.337 ( 0.000 18.712 0.000) 18.712 5.445 ( 0.000 19.291 0.000) 19.291 5.447 ( 0.000 11.389 0.000) 11.389 5.452 ( 0.000 6.592 0.000) 6.592 5.510 ( 0.000 -0.942 0.000) 0.942 5.795 ( 0.000 12.397 0.000) 12.397 5.818 ( 0.000 20.399 0.000) 20.399 5.851 ( 0.000 14.129 0.000) 14.129 5.922 ( 0.000 16.518 0.000) 16.518 6.800 ( 0.000 5.530 0.000) 5.530 6.885 ( 0.000 -1.441 0.000) 1.441 7.081 ( 0.000 -0.547 0.000) 0.547 7.151 ( 0.000 -4.062 0.000) 4.062 7.608 ( 0.000 -1.279 0.000) 1.279 7.675 ( 0.000 1.591 0.000) 1.591 7.741 ( 0.000 -2.163 0.000) 2.163 7.903 ( 0.000 -2.990 0.000) 2.990 8.245 ( 0.000 4.396 0.000) 4.396 8.355 ( 0.000 3.264 0.000) 3.264 8.551 ( 0.000 4.155 0.000) 4.155 8.558 ( 0.000 -8.912 0.000) 8.912 8.611 ( 0.000 -6.384 0.000) 6.384 8.821 ( 0.000 -3.743 0.000) 3.743 8.918 ( 0.000 4.547 0.000) 4.547 9.156 ( 0.000 8.588 0.000) 8.588 9.579 ( 0.000 -19.845 0.000) 19.845 9.692 ( 0.000 -2.660 0.000) 2.660 10.000 ( 0.000 -3.028 0.000) 3.028 10.027 ( 0.000 14.407 0.000) 14.407 10.081 ( 0.000 -19.007 0.000) 19.007 10.123 ( 0.000 12.190 0.000) 12.190 10.140 ( 0.000 -7.075 0.000) 7.075 10.681 ( 0.000 -14.973 0.000) 14.973 10.725 ( 0.000 -27.617 0.000) 27.617 10.880 ( 0.000 -7.506 0.000) 7.506 10.925 ( 0.000 6.121 0.000) 6.121 11.237 ( 0.000 7.536 0.000) 7.536 11.313 ( 0.000 -4.431 0.000) 4.431 11.345 ( 0.000 0.781 0.000) 0.781 11.605 ( 0.000 -18.341 0.000) 18.341 11.739 ( 0.000 12.086 0.000) 12.086 11.950 ( 0.000 -0.044 0.000) 0.044 12.010 ( 0.000 3.488 0.000) 3.488 12.075 ( 0.000 -11.590 0.000) 11.590 12.273 ( 0.000 -1.302 0.000) 1.302 14.615 ( 0.000 0.016 0.000) 0.016 14.688 ( 0.000 -2.971 0.000) 2.971 14.984 ( 0.000 -1.416 0.000) 1.416 15.018 ( 0.000 -6.634 0.000) 6.634 15.039 ( 0.000 -6.119 0.000) 6.119 15.175 ( 0.000 -7.520 0.000) 7.520 15.190 ( 0.000 -9.413 0.000) 9.413 15.340 ( 0.000 -5.190 0.000) 5.190 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.536 10.024 0.000) 10.340 2.055 ( 1.930 5.045 0.000) 5.402 2.180 ( 0.039 4.278 0.000) 4.278 2.241 ( -1.195 3.727 0.000) 3.914 2.285 ( 0.861 -1.322 0.000) 1.577 2.324 ( -1.139 0.835 0.000) 1.412 2.517 ( 2.566 -1.126 0.000) 2.802 2.562 ( 1.606 -1.997 0.000) 2.563 2.682 ( -0.676 6.932 0.000) 6.965 2.878 ( -1.897 8.049 0.000) 8.269 3.018 ( 4.732 6.639 0.000) 8.153 3.035 ( -3.344 3.815 0.000) 5.073 3.165 ( 3.381 4.274 0.000) 5.450 3.257 ( -2.789 8.120 0.000) 8.585 3.346 ( -7.523 1.735 0.000) 7.721 3.449 ( -6.506 2.728 0.000) 7.054 3.495 ( 3.358 -3.674 0.000) 4.977 3.677 ( -4.708 6.143 0.000) 7.740 3.695 ( 4.679 4.653 0.000) 6.599 3.821 ( 4.224 2.976 0.000) 5.167 3.866 ( -2.447 7.807 0.000) 8.181 3.950 ( 1.819 4.658 0.000) 5.001 3.975 ( 2.685 -1.097 0.000) 2.901 4.129 ( -4.063 8.558 0.000) 9.474 4.265 ( -0.604 -0.909 0.000) 1.091 4.334 ( -2.904 -5.497 0.000) 6.217 4.625 ( 1.952 -8.666 0.000) 8.883 4.697 ( 2.616 -5.603 0.000) 6.184 5.001 ( -1.883 5.406 0.000) 5.724 5.018 ( -1.450 20.442 0.000) 20.494 5.118 ( 3.055 3.461 0.000) 4.617 5.309 ( -2.983 14.846 0.000) 15.143 5.444 ( 1.031 12.038 0.000) 12.082 5.469 ( 2.147 9.638 0.000) 9.874 5.489 ( 2.825 17.270 0.000) 17.499 5.523 ( 0.752 2.469 0.000) 2.581 5.797 ( 0.327 13.368 0.000) 13.372 5.826 ( 0.715 20.253 0.000) 20.266 5.850 ( -0.127 15.024 0.000) 15.025 5.902 ( -1.994 16.410 0.000) 16.531 6.793 ( -0.527 3.929 0.000) 3.964 6.858 ( -2.392 -1.135 0.000) 2.648 7.111 ( 2.783 -2.049 0.000) 3.456 7.161 ( 0.835 -3.785 0.000) 3.876 7.615 ( 1.318 2.345 0.000) 2.690 7.707 ( 5.093 0.729 0.000) 5.145 7.840 ( 5.764 -0.048 0.000) 5.764 7.957 ( 4.549 -2.043 0.000) 4.986 8.174 ( -3.191 1.066 0.000) 3.364 8.414 ( 4.649 -0.628 0.000) 4.691 8.519 ( -2.850 1.166 0.000) 3.079 8.606 ( 3.232 -8.782 0.000) 9.358 8.693 ( 6.465 -5.342 0.000) 8.387 8.763 ( -2.402 -2.094 0.000) 3.187 9.034 ( 9.080 4.532 0.000) 10.148 9.173 ( 0.585 5.212 0.000) 5.245 9.448 ( -6.996 -13.404 0.000) 15.119 9.508 ( -15.148 -9.086 0.000) 17.664 9.861 ( -13.502 -4.183 0.000) 14.136 9.984 ( -1.544 11.178 0.000) 11.285 10.116 ( 0.269 13.994 0.000) 13.997 10.182 ( 1.085 -2.280 0.000) 2.526 10.326 ( 14.405 -9.260 0.000) 17.125 10.591 ( -4.866 -20.500 0.000) 21.069 10.747 ( 1.410 -26.244 0.000) 26.281 10.876 ( -3.759 2.204 0.000) 4.358 10.897 ( 1.737 -8.645 0.000) 8.817 11.258 ( 1.572 3.510 0.000) 3.846 11.314 ( -3.227 -6.678 0.000) 7.417 11.426 ( 8.896 1.085 0.000) 8.962 11.605 ( 1.441 -9.882 0.000) 9.987 11.705 ( -4.067 10.902 0.000) 11.636 11.868 ( -7.789 3.581 0.000) 8.573 11.952 ( -5.287 0.414 0.000) 5.303 12.097 ( 2.053 -10.100 0.000) 10.306 12.253 ( -2.114 -1.771 0.000) 2.758 14.662 ( 4.387 -0.536 0.000) 4.420 14.699 ( 1.367 -3.453 0.000) 3.714 14.990 ( -3.600 -7.317 0.000) 8.155 14.996 ( -2.138 -6.615 0.000) 6.952 15.009 ( 1.938 -1.615 0.000) 2.522 15.113 ( -3.401 -5.922 0.000) 6.829 15.283 ( 5.211 -8.767 0.000) 10.199 15.349 ( 0.911 -5.411 0.000) 5.487 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 1.037 8.211 0.000) 8.276 2.089 ( 0.941 6.295 0.000) 6.365 2.184 ( 0.657 2.700 0.000) 2.778 2.209 ( -1.810 4.495 0.000) 4.846 2.311 ( 2.270 1.327 0.000) 2.630 2.332 ( 0.924 0.884 0.000) 1.279 2.509 ( -1.315 -0.908 0.000) 1.598 2.541 ( -3.563 -1.453 0.000) 3.847 2.761 ( 7.923 1.879 0.000) 8.143 2.908 ( -3.433 1.447 0.000) 3.725 2.996 ( 6.481 7.538 0.000) 9.941 3.103 ( 3.180 10.842 0.000) 11.299 3.193 ( -1.140 7.402 0.000) 7.489 3.206 ( -1.914 4.653 0.000) 5.031 3.213 ( -3.512 2.993 0.000) 4.614 3.255 ( -11.919 1.352 0.000) 11.996 3.570 ( 3.706 -1.221 0.000) 3.902 3.628 ( -1.860 4.232 0.000) 4.622 3.795 ( 4.428 3.773 0.000) 5.818 3.823 ( -0.920 10.320 0.000) 10.361 3.923 ( 5.278 6.240 0.000) 8.173 3.947 ( -0.964 8.964 0.000) 9.015 3.985 ( -1.141 0.899 0.000) 1.452 4.043 ( -4.973 9.240 0.000) 10.494 4.261 ( 0.476 -6.385 0.000) 6.402 4.284 ( -1.991 -5.889 0.000) 6.216 4.677 ( 3.103 -8.145 0.000) 8.716 4.719 ( -0.735 -7.833 0.000) 7.868 4.984 ( 0.017 8.391 0.000) 8.391 4.994 ( -0.950 14.114 0.000) 14.146 5.178 ( 3.268 6.828 0.000) 7.570 5.243 ( -3.605 10.631 0.000) 11.225 5.475 ( 1.903 7.696 0.000) 7.928 5.500 ( -0.062 6.454 0.000) 6.454 5.533 ( 1.297 17.584 0.000) 17.632 5.534 ( 0.715 13.323 0.000) 13.342 5.812 ( 1.263 15.066 0.000) 15.119 5.835 ( -0.220 19.464 0.000) 19.466 5.847 ( -0.038 17.401 0.000) 17.401 5.859 ( -1.932 16.073 0.000) 16.189 6.790 ( 0.438 1.374 0.000) 1.443 6.813 ( -1.975 -0.251 0.000) 1.991 7.161 ( 1.833 -4.457 0.000) 4.819 7.174 ( 0.257 -4.253 0.000) 4.260 7.679 ( 5.546 7.410 0.000) 9.255 7.796 ( -3.730 6.259 0.000) 7.286 7.879 ( 6.250 1.246 0.000) 6.373 7.996 ( -2.510 0.205 0.000) 2.519 8.253 ( 9.565 -6.121 0.000) 11.356 8.415 ( -5.797 -4.265 0.000) 7.197 8.527 ( 5.226 -7.873 0.000) 9.450 8.634 ( -2.670 -8.677 0.000) 9.079 8.770 ( 2.097 -0.380 0.000) 2.131 8.770 ( 2.102 -3.239 0.000) 3.861 9.120 ( -2.194 -7.375 0.000) 7.694 9.198 ( -3.911 -5.157 0.000) 6.472 9.279 ( 5.511 -1.744 0.000) 5.781 9.538 ( 11.633 5.087 0.000) 12.696 9.559 ( -13.657 -6.891 0.000) 15.297 9.865 ( -14.862 2.446 0.000) 15.062 10.101 ( -2.103 12.278 0.000) 12.457 10.108 ( -1.001 14.534 0.000) 14.569 10.594 ( 11.945 -7.717 0.000) 14.221 10.627 ( 5.763 -22.930 0.000) 23.643 10.741 ( -2.505 -23.522 0.000) 23.655 10.785 ( -6.064 -1.447 0.000) 6.234 10.963 ( 6.181 -12.858 0.000) 14.266 11.135 ( -10.546 -16.970 0.000) 19.980 11.386 ( 8.004 4.812 0.000) 9.339 11.565 ( -9.945 7.091 0.000) 12.214 11.591 ( 7.960 4.708 0.000) 9.248 11.684 ( 6.376 -1.459 0.000) 6.541 11.726 ( -6.641 6.398 0.000) 9.222 11.824 ( -7.743 -0.761 0.000) 7.780 12.145 ( 2.841 -6.822 0.000) 7.390 12.201 ( -3.028 -3.627 0.000) 4.724 14.740 ( 2.385 -4.171 0.000) 4.805 14.743 ( 2.832 -2.468 0.000) 3.757 14.937 ( -1.538 -7.153 0.000) 7.316 14.949 ( -2.338 -6.225 0.000) 6.649 15.035 ( 0.712 -2.353 0.000) 2.458 15.056 ( -2.114 -3.819 0.000) 4.365 15.356 ( 2.211 -7.693 0.000) 8.004 15.368 ( 0.650 -6.349 0.000) 6.382 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 2.802 0.000) 2.802 2.212 ( 0.000 8.865 0.000) 8.865 2.218 ( 0.000 -2.804 0.000) 2.804 2.291 ( 0.000 1.008 0.000) 1.008 2.304 ( 0.000 5.910 0.000) 5.910 2.333 ( 0.000 -0.922 0.000) 0.922 2.462 ( 0.000 -1.952 0.000) 1.952 2.488 ( 0.000 -3.391 0.000) 3.391 2.911 ( 0.000 8.080 0.000) 8.080 3.012 ( 0.000 2.468 0.000) 2.468 3.028 ( 0.000 2.008 0.000) 2.008 3.086 ( 0.000 -1.621 0.000) 1.621 3.223 ( 0.000 9.144 0.000) 9.144 3.356 ( 0.000 0.463 0.000) 0.463 3.436 ( 0.000 4.134 0.000) 4.134 3.543 ( 0.000 -3.534 0.000) 3.534 3.591 ( 0.000 -3.115 0.000) 3.115 3.594 ( 0.000 3.461 0.000) 3.461 3.623 ( 0.000 -8.765 0.000) 8.765 3.713 ( 0.000 -3.242 0.000) 3.242 3.964 ( 0.000 5.184 0.000) 5.184 4.063 ( 0.000 7.843 0.000) 7.843 4.076 ( 0.000 8.099 0.000) 8.099 4.297 ( 0.000 -0.820 0.000) 0.820 4.302 ( 0.000 -4.119 0.000) 4.119 4.337 ( 0.000 6.636 0.000) 6.636 4.424 ( 0.000 -4.172 0.000) 4.172 4.515 ( 0.000 -8.865 0.000) 8.865 5.054 ( 0.000 -1.628 0.000) 1.628 5.072 ( 0.000 -0.826 0.000) 0.826 5.366 ( 0.000 6.516 0.000) 6.516 5.457 ( 0.000 -1.329 0.000) 1.329 5.567 ( 0.000 8.161 0.000) 8.161 5.630 ( 0.000 8.535 0.000) 8.535 5.711 ( 0.000 11.883 0.000) 11.883 5.750 ( 0.000 10.613 0.000) 10.613 6.050 ( 0.000 10.453 0.000) 10.453 6.091 ( 0.000 8.672 0.000) 8.672 6.142 ( 0.000 11.686 0.000) 11.686 6.186 ( 0.000 9.253 0.000) 9.253 6.882 ( 0.000 1.473 0.000) 1.473 6.933 ( 0.000 7.132 0.000) 7.132 7.048 ( 0.000 -5.838 0.000) 5.838 7.091 ( 0.000 0.515 0.000) 0.515 7.610 ( 0.000 1.726 0.000) 1.726 7.693 ( 0.000 -0.072 0.000) 0.072 7.705 ( 0.000 -1.551 0.000) 1.551 7.806 ( 0.000 -6.233 0.000) 6.233 8.369 ( 0.000 6.085 0.000) 6.085 8.445 ( 0.000 -2.580 0.000) 2.580 8.466 ( 0.000 7.351 0.000) 7.351 8.553 ( 0.000 2.679 0.000) 2.679 8.647 ( 0.000 3.501 0.000) 3.501 8.802 ( 0.000 4.158 0.000) 4.158 9.071 ( 0.000 10.512 0.000) 10.512 9.140 ( 0.000 -19.854 0.000) 19.854 9.373 ( 0.000 10.090 0.000) 10.090 9.552 ( 0.000 -10.374 0.000) 10.374 9.590 ( 0.000 -27.785 0.000) 27.785 9.877 ( 0.000 -9.157 0.000) 9.157 10.033 ( 0.000 -3.394 0.000) 3.394 10.237 ( 0.000 -17.389 0.000) 17.389 10.299 ( 0.000 11.823 0.000) 11.823 10.374 ( 0.000 9.848 0.000) 9.848 10.479 ( 0.000 -5.065 0.000) 5.065 10.732 ( 0.000 -7.605 0.000) 7.605 10.953 ( 0.000 -2.925 0.000) 2.925 11.029 ( 0.000 -15.440 0.000) 15.440 11.381 ( 0.000 1.883 0.000) 1.883 11.396 ( 0.000 1.918 0.000) 1.918 11.491 ( 0.000 6.197 0.000) 6.197 11.852 ( 0.000 -10.485 0.000) 10.485 11.907 ( 0.000 5.568 0.000) 5.568 11.968 ( 0.000 1.261 0.000) 1.261 12.078 ( 0.000 2.956 0.000) 2.956 12.214 ( 0.000 -4.101 0.000) 4.101 14.654 ( 0.000 -0.213 0.000) 0.213 14.664 ( 0.000 4.567 0.000) 4.567 14.798 ( 0.000 -7.922 0.000) 7.922 14.910 ( 0.000 -6.736 0.000) 6.736 15.065 ( 0.000 -3.572 0.000) 3.572 15.067 ( 0.000 -3.463 0.000) 3.463 15.099 ( 0.000 5.105 0.000) 5.105 15.263 ( 0.000 -3.305 0.000) 3.305 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 2.091 2.581 0.000) 3.322 2.220 ( -0.203 -1.680 0.000) 1.692 2.221 ( 0.426 7.141 0.000) 7.153 2.290 ( -0.142 1.803 0.000) 1.809 2.314 ( 1.334 4.959 0.000) 5.135 2.332 ( 0.254 0.059 0.000) 0.260 2.474 ( 0.641 -3.202 0.000) 3.265 2.502 ( 0.779 -3.804 0.000) 3.883 2.832 ( -3.925 7.829 0.000) 8.758 3.002 ( -0.127 4.644 0.000) 4.646 3.077 ( 2.799 -1.483 0.000) 3.168 3.087 ( -3.470 1.344 0.000) 3.722 3.254 ( 4.066 2.171 0.000) 4.609 3.329 ( -3.836 -2.609 0.000) 4.639 3.385 ( -3.312 5.232 0.000) 6.192 3.460 ( 0.296 3.536 0.000) 3.549 3.525 ( -4.502 5.169 0.000) 6.855 3.641 ( -0.820 -5.817 0.000) 5.875 3.739 ( 8.092 -2.174 0.000) 8.379 3.815 ( 8.725 -1.881 0.000) 8.925 3.996 ( 3.115 3.545 0.000) 4.719 4.023 ( -2.495 7.091 0.000) 7.518 4.087 ( -0.190 6.763 0.000) 6.766 4.267 ( -2.641 -0.194 0.000) 2.648 4.279 ( -3.386 3.547 0.000) 4.903 4.307 ( -2.906 3.509 0.000) 4.556 4.414 ( -0.049 -9.122 0.000) 9.122 4.517 ( -0.141 -10.084 0.000) 10.085 5.058 ( 1.172 0.963 0.000) 1.517 5.112 ( 3.582 -1.829 0.000) 4.022 5.295 ( -5.559 6.977 0.000) 8.920 5.402 ( -4.485 -1.083 0.000) 4.614 5.631 ( 3.862 9.130 0.000) 9.913 5.687 ( 5.156 7.737 0.000) 9.297 5.711 ( 0.127 12.043 0.000) 12.043 5.775 ( 2.031 9.783 0.000) 9.992 6.059 ( 0.993 10.664 0.000) 10.710 6.102 ( 1.134 8.964 0.000) 9.035 6.146 ( 0.264 11.344 0.000) 11.347 6.170 ( -1.616 9.726 0.000) 9.859 6.866 ( -1.355 2.149 0.000) 2.540 6.896 ( -2.996 5.993 0.000) 6.700 7.056 ( 0.693 -6.236 0.000) 6.274 7.083 ( -0.747 -1.770 0.000) 1.921 7.680 ( 6.770 4.340 0.000) 8.041 7.725 ( 5.257 1.240 0.000) 5.401 7.822 ( 9.730 -1.962 0.000) 9.926 7.897 ( 8.398 -4.218 0.000) 9.398 8.265 ( -6.882 6.713 0.000) 9.614 8.440 ( -3.354 3.850 0.000) 5.106 8.495 ( 1.270 -2.126 0.000) 2.476 8.577 ( -7.418 3.870 0.000) 8.367 8.601 ( 4.281 -2.576 0.000) 4.996 8.747 ( -2.295 0.909 0.000) 2.468 9.040 ( -8.164 -17.103 0.000) 18.952 9.180 ( 6.007 7.872 0.000) 9.902 9.254 ( -13.313 -13.190 0.000) 18.741 9.407 ( 3.620 9.736 0.000) 10.387 9.855 ( -5.324 2.478 0.000) 5.873 9.860 ( 13.087 -19.183 0.000) 23.222 10.068 ( 7.005 -15.732 0.000) 17.221 10.278 ( -5.720 4.498 0.000) 7.277 10.291 ( 3.783 -17.688 0.000) 18.088 10.372 ( -6.658 3.599 0.000) 7.569 10.375 ( 0.415 11.500 0.000) 11.508 10.744 ( 1.236 -7.418 0.000) 7.520 10.815 ( -8.666 -7.724 0.000) 11.608 10.994 ( -7.041 -14.451 0.000) 16.075 11.389 ( 4.486 5.780 0.000) 7.317 11.521 ( 7.601 1.339 0.000) 7.718 11.559 ( 6.694 4.979 0.000) 8.343 11.854 ( -5.997 4.729 0.000) 7.638 11.896 ( 4.340 -9.718 0.000) 10.643 11.928 ( -3.987 1.538 0.000) 4.273 11.993 ( -7.527 3.705 0.000) 8.389 12.187 ( -2.969 -4.472 0.000) 5.368 14.659 ( 0.712 -0.379 0.000) 0.806 14.688 ( 1.964 2.802 0.000) 3.422 14.798 ( -0.184 -7.782 0.000) 7.784 14.858 ( -3.707 -5.704 0.000) 6.802 15.049 ( -0.297 -0.924 0.000) 0.971 15.100 ( -0.057 4.941 0.000) 4.941 15.146 ( 5.237 -5.281 0.000) 7.438 15.267 ( 0.303 -3.553 0.000) 3.566 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 2.834 2.685 0.000) 3.904 2.211 ( -1.332 4.442 0.000) 4.638 2.225 ( 1.495 0.868 0.000) 1.729 2.271 ( -2.201 1.651 0.000) 2.751 2.345 ( 1.487 2.783 0.000) 3.155 2.352 ( 1.100 1.529 0.000) 1.884 2.471 ( -0.160 -2.847 0.000) 2.851 2.494 ( -1.668 -3.245 0.000) 3.648 2.829 ( 3.764 5.088 0.000) 6.329 2.938 ( -6.458 2.611 0.000) 6.966 3.096 ( 0.535 -6.017 0.000) 6.041 3.109 ( 3.225 -0.783 0.000) 3.319 3.186 ( -0.738 3.150 0.000) 3.235 3.309 ( -6.957 5.002 0.000) 8.568 3.445 ( 6.601 8.338 0.000) 10.635 3.453 ( -0.984 13.116 0.000) 13.152 3.472 ( 2.001 -1.707 0.000) 2.630 3.594 ( -4.842 -4.586 0.000) 6.669 3.880 ( 6.679 0.999 0.000) 6.753 3.971 ( 1.863 8.540 0.000) 8.741 3.984 ( 2.063 -6.260 0.000) 6.591 4.045 ( 0.338 0.721 0.000) 0.796 4.090 ( 2.600 6.955 0.000) 7.425 4.202 ( -5.198 6.075 0.000) 7.995 4.212 ( -4.375 3.324 0.000) 5.494 4.217 ( -2.265 1.430 0.000) 2.679 4.445 ( 2.820 -12.783 0.000) 13.091 4.497 ( -2.102 -12.023 0.000) 12.205 5.105 ( 3.710 3.967 0.000) 5.431 5.191 ( -5.126 6.089 0.000) 7.959 5.199 ( 5.382 -1.542 0.000) 5.599 5.305 ( -5.555 -0.977 0.000) 5.641 5.687 ( 2.085 10.577 0.000) 10.781 5.710 ( -0.449 11.726 0.000) 11.734 5.775 ( 3.323 7.916 0.000) 8.586 5.803 ( 0.343 8.605 0.000) 8.612 6.087 ( 1.899 10.953 0.000) 11.116 6.128 ( 1.308 9.672 0.000) 9.760 6.129 ( -2.417 10.541 0.000) 10.814 6.145 ( -0.486 10.588 0.000) 10.599 6.844 ( -0.679 3.351 0.000) 3.419 6.850 ( -1.448 4.500 0.000) 4.727 7.067 ( 0.314 -6.368 0.000) 6.375 7.071 ( -0.346 -4.979 0.000) 4.991 7.835 ( 8.454 8.044 0.000) 11.669 7.872 ( 8.124 3.591 0.000) 8.883 7.986 ( 2.575 6.031 0.000) 6.558 8.030 ( 1.408 2.751 0.000) 3.090 8.195 ( 4.635 0.409 0.000) 4.653 8.369 ( -0.273 -5.978 0.000) 5.984 8.394 ( -11.233 0.655 0.000) 11.252 8.466 ( -5.483 -7.604 0.000) 9.375 8.669 ( 3.837 -5.163 0.000) 6.433 8.734 ( -1.007 -3.429 0.000) 3.573 8.925 ( -2.717 -12.746 0.000) 13.032 8.973 ( -9.452 -13.114 0.000) 16.165 9.376 ( 8.904 9.526 0.000) 13.039 9.477 ( 0.580 5.693 0.000) 5.722 9.777 ( 1.787 13.338 0.000) 13.457 9.957 ( -10.745 6.749 0.000) 12.689 10.122 ( 2.734 -21.733 0.000) 21.905 10.180 ( 0.803 -22.994 0.000) 23.009 10.360 ( 1.495 7.790 0.000) 7.932 10.367 ( 2.653 -8.148 0.000) 8.569 10.413 ( 6.906 2.844 0.000) 7.469 10.624 ( -11.835 -12.079 0.000) 16.911 10.781 ( 2.883 -7.262 0.000) 7.814 10.860 ( -5.630 -9.283 0.000) 10.856 11.507 ( 8.004 6.143 0.000) 10.089 11.664 ( 7.531 -1.050 0.000) 7.604 11.688 ( -10.329 5.171 0.000) 11.551 11.711 ( 8.318 6.208 0.000) 10.379 11.813 ( -7.889 -1.158 0.000) 7.973 11.854 ( -6.810 6.468 0.000) 9.392 11.998 ( 5.914 -7.628 0.000) 9.652 12.107 ( -5.240 -5.668 0.000) 7.719 14.686 ( 1.987 -1.079 0.000) 2.261 14.712 ( -0.040 -0.526 0.000) 0.528 14.791 ( -0.342 -6.622 0.000) 6.631 14.802 ( -1.878 -5.422 0.000) 5.738 15.059 ( 1.346 2.657 0.000) 2.978 15.088 ( -1.290 4.365 0.000) 4.552 15.231 ( 3.256 -5.363 0.000) 6.273 15.266 ( -0.652 -4.423 0.000) 4.470 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 -2.991 0.000) 2.991 2.160 ( 0.000 2.991 0.000) 2.991 2.306 ( 0.000 -0.444 0.000) 0.444 2.306 ( 0.000 0.444 0.000) 0.444 2.378 ( 0.000 -6.113 0.000) 6.113 2.378 ( 0.000 6.113 0.000) 6.113 2.409 ( 0.000 -4.627 0.000) 4.627 2.409 ( 0.000 4.627 0.000) 4.627 3.019 ( 0.000 -2.492 0.000) 2.492 3.019 ( 0.000 2.492 0.000) 2.492 3.056 ( 0.000 -1.309 0.000) 1.309 3.056 ( 0.000 1.309 0.000) 1.309 3.358 ( 0.000 -2.323 0.000) 2.323 3.358 ( 0.000 2.323 0.000) 2.323 3.503 ( 0.000 -3.690 0.000) 3.690 3.503 ( 0.000 3.690 0.000) 3.690 3.511 ( 0.000 -2.408 0.000) 2.408 3.511 ( 0.000 2.408 0.000) 2.408 3.648 ( 0.000 -2.833 0.000) 2.833 3.648 ( 0.000 2.833 0.000) 2.833 4.120 ( 0.000 -9.855 0.000) 9.855 4.120 ( 0.000 9.855 0.000) 9.855 4.163 ( 0.000 -0.149 0.000) 0.149 4.163 ( 0.000 0.149 0.000) 0.149 4.349 ( 0.000 -6.634 0.000) 6.634 4.349 ( 0.000 6.634 0.000) 6.634 4.416 ( 0.000 -1.172 0.000) 1.172 4.416 ( 0.000 1.172 0.000) 1.172 5.045 ( 0.000 -0.936 0.000) 0.936 5.045 ( 0.000 0.936 0.000) 0.936 5.422 ( 0.000 -1.761 0.000) 1.761 5.422 ( 0.000 1.762 0.000) 1.762 5.694 ( 0.000 -2.111 0.000) 2.111 5.694 ( 0.000 2.111 0.000) 2.111 5.847 ( 0.000 -1.088 0.000) 1.088 5.847 ( 0.000 1.088 0.000) 1.088 6.168 ( 0.000 -1.114 0.000) 1.114 6.168 ( 0.000 1.114 0.000) 1.114 6.270 ( 0.000 -1.076 0.000) 1.076 6.270 ( 0.000 1.076 0.000) 1.076 6.942 ( 0.000 -4.426 0.000) 4.426 6.942 ( 0.000 4.426 0.000) 4.426 7.055 ( 0.000 -4.476 0.000) 4.476 7.055 ( 0.000 4.476 0.000) 4.476 7.683 ( 0.000 -5.433 0.000) 5.433 7.683 ( 0.000 5.433 0.000) 5.433 7.687 ( 0.000 -0.059 0.000) 0.059 7.687 ( 0.000 0.059 0.000) 0.059 8.424 ( 0.000 -0.644 0.000) 0.644 8.424 ( 0.000 0.645 0.000) 0.645 8.608 ( 0.000 -5.852 0.000) 5.852 8.608 ( 0.000 5.853 0.000) 5.853 8.762 ( 0.000 -16.425 0.000) 16.425 8.762 ( 0.000 16.425 0.000) 16.425 9.076 ( 0.000 -21.474 0.000) 21.474 9.076 ( 0.000 21.474 0.000) 21.474 9.314 ( 0.000 -12.664 0.000) 12.664 9.314 ( 0.000 12.664 0.000) 12.664 9.628 ( 0.000 -14.372 0.000) 14.372 9.628 ( 0.000 14.372 0.000) 14.372 10.027 ( 0.000 -3.692 0.000) 3.692 10.027 ( 0.000 3.692 0.000) 3.692 10.437 ( 0.000 -1.737 0.000) 1.737 10.437 ( 0.000 1.737 0.000) 1.737 10.570 ( 0.000 -8.944 0.000) 8.944 10.570 ( 0.000 8.944 0.000) 8.944 10.876 ( 0.000 -1.229 0.000) 1.229 10.876 ( 0.000 1.229 0.000) 1.229 11.403 ( 0.000 -0.326 0.000) 0.326 11.403 ( 0.000 0.326 0.000) 0.326 11.660 ( 0.000 -9.118 0.000) 9.118 11.660 ( 0.000 9.118 0.000) 9.118 11.975 ( 0.000 -1.224 0.000) 1.224 11.975 ( 0.000 1.224 0.000) 1.224 12.135 ( 0.000 -3.350 0.000) 3.350 12.135 ( 0.000 3.350 0.000) 3.350 14.686 ( 0.000 -3.511 0.000) 3.511 14.686 ( 0.000 3.512 0.000) 3.512 14.778 ( 0.000 -6.449 0.000) 6.449 14.778 ( 0.000 6.449 0.000) 6.449 15.033 ( 0.000 -0.095 0.000) 0.095 15.033 ( 0.000 0.095 0.000) 0.095 15.191 ( 0.000 -4.104 0.000) 4.104 15.191 ( 0.000 4.104 0.000) 4.104 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 1.412 -2.631 0.000) 2.986 2.172 ( 1.412 2.631 0.000) 2.986 2.299 ( -0.780 -1.368 0.000) 1.575 2.299 ( -0.780 1.368 0.000) 1.575 2.388 ( 0.857 -5.193 0.000) 5.263 2.388 ( 0.857 5.193 0.000) 5.263 2.416 ( 0.499 -4.860 0.000) 4.886 2.416 ( 0.499 4.860 0.000) 4.886 2.982 ( -2.880 -6.919 0.000) 7.494 2.982 ( -2.880 6.919 0.000) 7.494 3.075 ( 0.499 -2.595 0.000) 2.643 3.075 ( 0.499 2.595 0.000) 2.643 3.275 ( -3.608 -1.954 0.000) 4.103 3.275 ( -3.608 1.954 0.000) 4.103 3.490 ( -1.511 -5.683 0.000) 5.881 3.490 ( -1.511 5.683 0.000) 5.881 3.612 ( 6.874 -8.875 0.000) 11.226 3.612 ( 6.874 8.875 0.000) 11.226 3.701 ( 4.495 -7.997 0.000) 9.174 3.701 ( 4.495 7.997 0.000) 9.174 4.139 ( -1.900 -2.361 0.000) 3.031 4.139 ( -1.900 2.361 0.000) 3.031 4.142 ( 2.266 -9.957 0.000) 10.212 4.142 ( 2.266 9.957 0.000) 10.212 4.336 ( -1.479 -7.151 0.000) 7.303 4.336 ( -1.479 7.151 0.000) 7.303 4.370 ( -4.569 -1.076 0.000) 4.695 4.370 ( -4.569 1.076 0.000) 4.695 5.076 ( 3.233 -1.416 0.000) 3.529 5.076 ( 3.233 1.416 0.000) 3.529 5.370 ( -4.583 -2.084 0.000) 5.035 5.370 ( -4.583 2.084 0.000) 5.035 5.749 ( 4.523 -1.765 0.000) 4.855 5.749 ( 4.523 1.765 0.000) 4.855 5.856 ( 0.715 -1.841 0.000) 1.975 5.856 ( 0.715 1.841 0.000) 1.975 6.181 ( 1.293 -1.210 0.000) 1.770 6.181 ( 1.293 1.210 0.000) 1.770 6.265 ( -0.606 -0.543 0.000) 0.813 6.265 ( -0.606 0.543 0.000) 0.813 6.940 ( -0.189 -5.062 0.000) 5.066 6.940 ( -0.189 5.063 0.000) 5.066 7.013 ( -3.434 -5.230 0.000) 6.257 7.013 ( -3.434 5.230 0.000) 6.257 7.766 ( 8.243 -2.944 0.000) 8.753 7.766 ( 8.243 2.944 0.000) 8.753 7.789 ( 9.797 -6.159 0.000) 11.572 7.789 ( 9.797 6.159 0.000) 11.572 8.405 ( -2.686 -6.900 0.000) 7.405 8.405 ( -2.686 6.901 0.000) 7.405 8.553 ( -6.199 -5.882 0.000) 8.545 8.553 ( -6.199 5.882 0.000) 8.545 8.718 ( -3.305 -13.298 0.000) 13.702 8.718 ( -3.305 13.298 0.000) 13.702 8.909 ( -11.215 -14.991 0.000) 18.722 8.909 ( -11.215 14.991 0.000) 18.722 9.478 ( 11.316 -17.411 0.000) 20.765 9.478 ( 11.316 17.411 0.000) 20.765 9.677 ( 4.321 -16.444 0.000) 17.003 9.677 ( 4.321 16.444 0.000) 17.003 10.027 ( 0.285 -9.488 0.000) 9.492 10.027 ( 0.285 9.488 0.000) 9.492 10.381 ( -6.208 -6.177 0.000) 8.758 10.381 ( -6.208 6.177 0.000) 8.758 10.582 ( 1.286 -9.145 0.000) 9.235 10.582 ( 1.286 9.145 0.000) 9.235 10.780 ( -7.213 -7.250 0.000) 10.227 10.780 ( -7.213 7.250 0.000) 10.227 11.482 ( 6.262 -3.485 0.000) 7.166 11.482 ( 6.262 3.485 0.000) 7.166 11.715 ( 5.640 -8.626 0.000) 10.306 11.715 ( 5.640 8.626 0.000) 10.306 11.919 ( -5.891 -2.063 0.000) 6.242 11.919 ( -5.891 2.063 0.000) 6.242 12.088 ( -4.421 -5.238 0.000) 6.855 12.088 ( -4.421 5.239 0.000) 6.855 14.688 ( 0.297 -3.423 0.000) 3.436 14.688 ( 0.297 3.423 0.000) 3.436 14.760 ( -1.585 -4.285 0.000) 4.569 14.760 ( -1.585 4.285 0.000) 4.569 15.068 ( 3.227 -2.598 0.000) 4.143 15.068 ( 3.227 2.598 0.000) 4.143 15.192 ( -0.118 -4.196 0.000) 4.197 15.192 ( -0.118 4.196 0.000) 4.197 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 2.906 -1.478 0.000) 3.260 2.214 ( 2.906 1.478 0.000) 3.260 2.269 ( -2.445 -1.577 0.000) 2.910 2.269 ( -2.445 1.577 0.000) 2.910 2.405 ( 0.905 -3.471 0.000) 3.587 2.405 ( 0.905 3.471 0.000) 3.587 2.418 ( -0.324 -4.101 0.000) 4.114 2.418 ( -0.324 4.101 0.000) 4.114 2.956 ( 0.947 -7.281 0.000) 7.342 2.956 ( 0.947 7.281 0.000) 7.342 3.018 ( -4.895 -5.181 0.000) 7.128 3.018 ( -4.895 5.181 0.000) 7.128 3.315 ( 6.135 -7.483 0.000) 9.676 3.315 ( 6.135 7.483 0.000) 9.676 3.431 ( -4.967 -6.868 0.000) 8.476 3.431 ( -4.967 6.868 0.000) 8.476 3.723 ( 4.464 -12.585 0.000) 13.353 3.723 ( 4.464 12.585 0.000) 13.353 3.763 ( 0.799 -13.389 0.000) 13.412 3.763 ( 0.799 13.389 0.000) 13.412 4.133 ( 2.332 -4.071 0.000) 4.692 4.133 ( 2.332 4.071 0.000) 4.692 4.186 ( 0.569 -10.193 0.000) 10.209 4.186 ( 0.569 10.193 0.000) 10.209 4.272 ( -3.552 -1.366 0.000) 3.805 4.272 ( -3.552 1.366 0.000) 3.805 4.293 ( -2.821 -6.851 0.000) 7.409 4.293 ( -2.821 6.851 0.000) 7.409 5.162 ( 5.453 -2.154 0.000) 5.863 5.162 ( 5.453 2.154 0.000) 5.863 5.270 ( -5.716 -2.513 0.000) 6.244 5.270 ( -5.716 2.513 0.000) 6.244 5.827 ( 3.144 -2.675 0.000) 4.128 5.827 ( 3.144 2.675 0.000) 4.128 5.861 ( -0.523 -2.696 0.000) 2.746 5.861 ( -0.523 2.696 0.000) 2.746 6.212 ( 1.820 -1.226 0.000) 2.194 6.212 ( 1.820 1.226 0.000) 2.194 6.245 ( -1.487 -0.635 0.000) 1.617 6.245 ( -1.487 0.635 0.000) 1.617 6.939 ( 0.303 -5.987 0.000) 5.995 6.939 ( 0.303 5.987 0.000) 5.995 6.959 ( -1.923 -6.064 0.000) 6.362 6.959 ( -1.923 6.064 0.000) 6.362 7.974 ( 11.617 -5.548 0.000) 12.873 7.974 ( 11.617 5.548 0.000) 12.873 7.993 ( 9.676 -6.932 0.000) 11.903 7.993 ( 9.676 6.932 0.000) 11.903 8.307 ( -6.278 -8.824 0.000) 10.829 8.307 ( -6.278 8.824 0.000) 10.830 8.366 ( -11.935 -4.366 0.000) 12.709 8.366 ( -11.935 4.366 0.000) 12.709 8.690 ( 0.799 -8.253 0.000) 8.292 8.690 ( 0.799 8.253 0.000) 8.292 8.747 ( -5.404 -7.400 0.000) 9.163 8.747 ( -5.404 7.401 0.000) 9.163 9.666 ( 7.637 -19.070 0.000) 20.543 9.666 ( 7.637 19.070 0.000) 20.543 9.739 ( 0.442 -18.964 0.000) 18.969 9.739 ( 0.442 18.964 0.000) 18.969 10.064 ( 4.744 -15.255 0.000) 15.976 10.064 ( 4.744 15.255 0.000) 15.976 10.215 ( -9.954 -14.368 0.000) 17.479 10.215 ( -9.954 14.368 0.000) 17.480 10.617 ( 2.350 -9.676 0.000) 9.957 10.617 ( 2.350 9.676 0.000) 9.957 10.674 ( -3.892 -10.008 0.000) 10.738 10.674 ( -3.892 10.008 0.000) 10.738 11.610 ( 7.501 -4.065 0.000) 8.532 11.610 ( 7.501 4.065 0.000) 8.532 11.770 ( -8.922 -3.141 0.000) 9.459 11.770 ( -8.922 3.141 0.000) 9.459 11.849 ( 7.605 -7.328 0.000) 10.561 11.849 ( 7.605 7.328 0.000) 10.561 11.984 ( -6.394 -6.530 0.000) 9.139 11.984 ( -6.394 6.530 0.000) 9.139 14.700 ( 1.051 -2.568 0.000) 2.774 14.700 ( 1.051 2.568 0.000) 2.774 14.727 ( -1.714 -2.169 0.000) 2.765 14.727 ( -1.714 2.169 0.000) 2.765 15.133 ( 3.218 -4.504 0.000) 5.535 15.133 ( 3.217 4.504 0.000) 5.535 15.179 ( -1.461 -4.543 0.000) 4.772 15.179 ( -1.461 4.543 0.000) 4.772 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 0.000 25.988) 25.988 0.554 ( 0.000 0.000 26.340) 26.340 0.990 ( 0.000 0.000 45.973) 45.973 1.371 ( 0.000 0.000 -11.474) 11.474 1.507 ( 0.000 0.000 -17.040) 17.040 1.697 ( 0.000 0.000 1.405) 1.405 1.826 ( 0.000 0.000 -4.043) 4.043 1.987 ( 0.000 0.000 7.245) 7.245 1.988 ( 0.000 0.000 3.476) 3.476 2.068 ( 0.000 0.000 3.176) 3.176 2.134 ( 0.000 0.000 -2.300) 2.300 2.204 ( 0.000 0.000 -0.699) 0.699 2.211 ( 0.000 0.000 13.656) 13.656 2.366 ( 0.000 0.000 -7.124) 7.124 2.370 ( 0.000 0.000 6.611) 6.611 2.437 ( 0.000 0.000 -9.795) 9.795 2.512 ( 0.000 0.000 -4.173) 4.173 2.565 ( 0.000 0.000 -2.305) 2.305 2.640 ( 0.000 0.000 -13.078) 13.078 2.851 ( 0.000 0.000 4.250) 4.250 2.966 ( 0.000 0.000 -26.823) 26.823 3.002 ( 0.000 0.000 -2.205) 2.205 3.120 ( 0.000 0.000 9.664) 9.664 3.180 ( 0.000 0.000 7.141) 7.141 3.608 ( 0.000 0.000 -8.813) 8.813 3.855 ( 0.000 0.000 10.759) 10.759 3.971 ( 0.000 0.000 -17.933) 17.933 4.066 ( 0.000 0.000 4.992) 4.992 4.342 ( 0.000 0.000 5.215) 5.215 4.518 ( 0.000 0.000 -2.134) 2.134 4.736 ( 0.000 0.000 8.200) 8.200 4.785 ( 0.000 0.000 6.040) 6.040 4.845 ( 0.000 0.000 3.348) 3.348 4.951 ( 0.000 0.000 2.133) 2.133 5.203 ( 0.000 0.000 -2.044) 2.044 5.277 ( 0.000 0.000 -1.202) 1.202 5.359 ( 0.000 0.000 -0.492) 0.492 5.494 ( 0.000 0.000 -7.906) 7.906 5.958 ( 0.000 0.000 8.463) 8.463 6.179 ( 0.000 0.000 -1.167) 1.167 6.789 ( 0.000 0.000 5.367) 5.367 7.016 ( 0.000 0.000 5.836) 5.836 7.044 ( 0.000 0.000 -0.561) 0.561 7.268 ( 0.000 0.000 -4.857) 4.857 7.381 ( 0.000 0.000 -8.369) 8.369 7.462 ( 0.000 0.000 -7.434) 7.434 7.487 ( 0.000 0.000 0.735) 0.735 7.510 ( 0.000 0.000 -0.029) 0.029 7.788 ( 0.000 0.000 6.356) 6.356 7.951 ( 0.000 0.000 -1.586) 1.586 8.206 ( 0.000 0.000 3.216) 3.216 8.223 ( 0.000 0.000 9.122) 9.122 8.284 ( 0.000 0.000 -0.450) 0.450 8.628 ( 0.000 0.000 -8.418) 8.418 9.126 ( 0.000 0.000 4.237) 4.237 9.445 ( 0.000 0.000 10.468) 10.468 9.479 ( 0.000 0.000 1.680) 1.680 9.565 ( 0.000 0.000 -1.684) 1.684 9.641 ( 0.000 0.000 -14.344) 14.344 9.764 ( 0.000 0.000 -3.281) 3.281 9.977 ( 0.000 0.000 1.080) 1.080 10.015 ( 0.000 0.000 -1.155) 1.155 10.213 ( 0.000 0.000 1.089) 1.089 10.275 ( 0.000 0.000 -1.321) 1.321 10.982 ( 0.000 0.000 9.528) 9.528 11.361 ( 0.000 0.000 -5.485) 5.485 11.547 ( 0.000 0.000 -0.058) 0.058 11.563 ( 0.000 0.000 -0.715) 0.715 11.574 ( 0.000 0.000 0.639) 0.639 11.587 ( 0.000 0.000 0.180) 0.180 11.723 ( 0.000 0.000 -0.151) 0.151 11.773 ( 0.000 0.000 -2.163) 2.163 12.621 ( 0.000 0.000 3.736) 3.736 12.670 ( 0.000 0.000 1.603) 1.603 12.942 ( 0.000 0.000 -0.943) 0.943 12.990 ( 0.000 0.000 -2.798) 2.798 14.650 ( 0.000 0.000 1.695) 1.695 14.759 ( 0.000 0.000 -2.576) 2.576 15.152 ( 0.000 0.000 1.334) 1.334 15.263 ( 0.000 0.000 -2.762) 2.762 16.191 ( 0.000 0.000 4.235) 4.235 16.415 ( 0.000 0.000 -4.754) 4.754 16.601 ( 0.000 0.000 4.619) 4.619 16.785 ( 0.000 0.000 -2.580) 2.580 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 16.434 0.000 18.914) 25.056 0.770 ( 18.672 0.000 18.686) 26.416 1.236 ( 24.826 0.000 34.196) 42.258 1.416 ( 4.473 0.000 -9.579) 10.572 1.591 ( 7.166 0.000 -16.551) 18.036 1.671 ( -4.427 0.000 0.581) 4.465 1.750 ( -6.772 0.000 -0.640) 6.802 1.880 ( -13.928 0.000 6.396) 15.327 1.948 ( -2.346 0.000 2.955) 3.773 2.037 ( -3.119 0.000 0.078) 3.120 2.148 ( 1.455 0.000 -2.337) 2.753 2.153 ( -3.708 0.000 -6.068) 7.111 2.284 ( -3.751 0.000 -3.335) 5.019 2.327 ( 11.074 0.000 15.019) 18.660 2.477 ( 5.911 0.000 2.304) 6.344 2.503 ( 5.988 0.000 -6.043) 8.507 2.599 ( 2.554 0.000 -0.316) 2.574 2.627 ( 1.776 0.000 -11.978) 12.109 2.674 ( 13.373 0.000 -3.354) 13.787 2.853 ( 0.404 0.000 3.055) 3.082 2.983 ( -1.866 0.000 -2.094) 2.804 2.990 ( 0.081 0.000 -12.400) 12.401 3.103 ( -0.842 0.000 10.477) 10.511 3.211 ( 5.472 0.000 -8.637) 10.224 3.512 ( -17.871 0.000 8.938) 19.982 3.686 ( -5.636 0.000 -9.334) 10.903 3.856 ( -9.694 0.000 -10.107) 14.004 3.963 ( -13.536 0.000 -8.058) 15.753 4.454 ( 7.845 0.000 7.569) 10.901 4.614 ( 5.472 0.000 -2.645) 6.078 4.678 ( -8.771 0.000 2.440) 9.104 4.686 ( -2.649 0.000 0.465) 2.690 4.801 ( -5.214 0.000 5.468) 7.556 4.867 ( -4.777 0.000 4.141) 6.322 5.204 ( 4.426 0.000 5.208) 6.835 5.372 ( 3.735 0.000 -0.185) 3.740 5.458 ( 8.184 0.000 -2.403) 8.529 5.616 ( 8.836 0.000 -7.771) 11.767 5.839 ( -9.750 0.000 9.491) 13.607 6.131 ( -4.136 0.000 -3.257) 5.265 6.806 ( 1.733 0.000 5.174) 5.457 7.010 ( -3.337 0.000 1.054) 3.499 7.166 ( 9.622 0.000 4.086) 10.453 7.268 ( 0.266 0.000 -6.049) 6.055 7.399 ( -3.713 0.000 2.419) 4.432 7.415 ( -3.997 0.000 -6.795) 7.884 7.483 ( 6.090 0.000 -4.084) 7.333 7.525 ( 2.633 0.000 -2.068) 3.348 7.855 ( 5.915 0.000 5.266) 7.919 7.997 ( 4.229 0.000 -1.357) 4.442 8.184 ( -2.182 0.000 3.305) 3.961 8.266 ( -1.884 0.000 -0.512) 1.952 8.375 ( 14.441 0.000 5.913) 15.605 8.680 ( 3.461 0.000 -5.816) 6.768 9.025 ( -8.230 0.000 2.496) 8.600 9.201 ( -14.392 0.000 -0.257) 14.395 9.481 ( 0.339 0.000 1.387) 1.428 9.552 ( -1.308 0.000 -1.351) 1.880 9.806 ( 2.761 0.000 2.955) 4.044 9.946 ( 18.500 0.000 -3.998) 18.927 10.108 ( 7.017 0.000 -4.869) 8.541 10.119 ( 10.685 0.000 -7.390) 12.991 10.219 ( 0.674 0.000 0.818) 1.059 10.270 ( -0.541 0.000 -1.126) 1.249 10.971 ( -3.142 0.000 9.914) 10.400 11.351 ( -13.185 0.000 0.188) 13.186 11.401 ( -12.539 0.000 7.984) 14.866 11.549 ( 0.155 0.000 -0.093) 0.180 11.561 ( -0.181 0.000 -0.514) 0.545 11.576 ( 0.185 0.000 0.459) 0.495 11.586 ( -0.096 0.000 0.194) 0.216 11.617 ( -9.373 0.000 -2.642) 9.738 12.560 ( -3.209 0.000 3.231) 4.554 12.636 ( -3.678 0.000 2.291) 4.333 12.950 ( 1.041 0.000 -0.825) 1.328 12.998 ( 0.278 0.000 -1.794) 1.815 14.735 ( 5.332 0.000 -0.654) 5.372 14.832 ( 5.643 0.000 -5.700) 8.021 15.181 ( 2.862 0.000 1.758) 3.359 15.314 ( 2.441 0.000 -2.652) 3.605 16.183 ( -0.332 0.000 2.781) 2.801 16.391 ( -3.800 0.000 -4.123) 5.607 16.543 ( -5.222 0.000 4.643) 6.988 16.609 ( -7.759 0.000 5.365) 9.433 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 19.381 0.000 10.976) 22.273 1.133 ( 19.498 0.000 14.290) 24.174 1.430 ( -14.466 0.000 5.842) 15.601 1.504 ( -18.639 0.000 9.139) 20.759 1.546 ( 4.535 0.000 -6.901) 8.258 1.655 ( -5.065 0.000 -2.276) 5.553 1.776 ( 15.011 0.000 -6.773) 16.468 1.807 ( 18.165 0.000 6.300) 19.227 1.932 ( 0.749 0.000 0.813) 1.105 1.972 ( -3.195 0.000 -0.600) 3.251 2.057 ( -0.683 0.000 -7.133) 7.165 2.182 ( 1.998 0.000 -3.591) 4.109 2.225 ( -2.594 0.000 -4.251) 4.980 2.417 ( -16.195 0.000 4.004) 16.683 2.575 ( 4.142 0.000 3.471) 5.404 2.623 ( -0.596 0.000 2.813) 2.876 2.627 ( 13.415 0.000 13.877) 19.301 2.718 ( 6.061 0.000 1.747) 6.308 2.863 ( 1.328 0.000 4.193) 4.398 2.878 ( 2.421 0.000 0.088) 2.423 2.905 ( -7.839 0.000 8.192) 11.338 2.935 ( -3.085 0.000 -1.603) 3.477 3.182 ( 10.657 0.000 -3.559) 11.235 3.271 ( 2.262 0.000 -1.866) 2.932 3.373 ( 6.859 0.000 -17.528) 18.823 3.485 ( -15.287 0.000 -11.777) 19.298 3.646 ( -11.896 0.000 -10.531) 15.888 3.697 ( -10.474 0.000 -15.828) 18.980 4.504 ( -0.971 0.000 2.863) 3.023 4.584 ( -6.996 0.000 -2.029) 7.284 4.593 ( 2.613 0.000 6.852) 7.334 4.649 ( -2.064 0.000 1.594) 2.607 4.787 ( 2.108 0.000 1.520) 2.599 4.816 ( -0.977 0.000 1.202) 1.549 5.314 ( 5.844 0.000 8.348) 10.191 5.394 ( -1.886 0.000 4.957) 5.304 5.587 ( 5.430 0.000 -0.870) 5.499 5.678 ( -4.644 0.000 4.881) 6.737 5.812 ( 9.664 0.000 -1.810) 9.832 6.001 ( -9.188 0.000 -3.674) 9.896 6.855 ( 3.437 0.000 4.538) 5.693 6.932 ( -4.455 0.000 3.260) 5.520 7.282 ( 3.787 0.000 1.093) 3.942 7.287 ( 1.900 0.000 -7.046) 7.298 7.340 ( -3.538 0.000 -6.870) 7.727 7.348 ( -2.846 0.000 0.256) 2.858 7.572 ( 4.850 0.000 -0.319) 4.860 7.611 ( 2.073 0.000 -0.762) 2.209 7.977 ( 6.281 0.000 4.151) 7.529 8.060 ( -0.436 0.000 1.279) 1.351 8.150 ( 0.931 0.000 1.399) 1.680 8.213 ( -3.655 0.000 -0.562) 3.698 8.666 ( 13.766 0.000 0.795) 13.789 8.767 ( 6.494 0.000 -2.500) 6.959 8.870 ( -7.968 0.000 0.658) 7.995 8.954 ( -11.658 0.000 -1.531) 11.758 9.494 ( 1.089 0.000 0.577) 1.232 9.522 ( -1.692 0.000 -0.480) 1.758 9.880 ( 6.501 0.000 5.828) 8.730 10.045 ( -8.497 0.000 -0.844) 8.539 10.236 ( 1.020 0.000 0.154) 1.032 10.255 ( -0.939 0.000 -0.584) 1.106 10.286 ( 15.005 0.000 0.697) 15.021 10.390 ( 10.295 0.000 -0.814) 10.328 10.812 ( -6.840 0.000 7.677) 10.282 10.977 ( -17.156 0.000 3.218) 17.456 11.421 ( 2.678 0.000 -4.146) 4.935 11.477 ( -4.073 0.000 -4.815) 6.307 11.552 ( 0.223 0.000 -0.183) 0.289 11.557 ( -0.221 0.000 -0.313) 0.383 11.580 ( 0.204 0.000 0.307) 0.368 11.583 ( -0.167 0.000 0.233) 0.287 12.527 ( -0.052 0.000 1.710) 1.711 12.561 ( -3.428 0.000 1.334) 3.679 12.975 ( 1.307 0.000 -0.527) 1.410 12.994 ( -0.665 0.000 -0.823) 1.058 14.840 ( 5.261 0.000 0.505) 5.285 14.896 ( 0.223 0.000 -1.966) 1.979 15.243 ( 3.498 0.000 1.127) 3.675 15.307 ( -2.650 0.000 0.139) 2.654 16.200 ( 2.440 0.000 -0.824) 2.575 16.280 ( -5.859 0.000 -1.816) 6.134 16.501 ( 0.154 0.000 1.507) 1.515 16.526 ( -2.532 0.000 1.997) 3.224 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 17.223 17.917) 24.852 0.766 ( 0.000 18.288 18.192) 25.795 1.439 ( 0.000 32.010 14.642) 35.200 1.542 ( 0.000 13.701 -14.183) 19.720 1.582 ( 0.000 11.836 -2.237) 12.046 1.868 ( 0.000 15.866 2.051) 15.998 1.986 ( 0.000 13.321 -3.240) 13.709 2.030 ( 0.000 5.841 6.321) 8.607 2.143 ( 0.000 12.067 4.417) 12.850 2.150 ( 0.000 2.988 -1.209) 3.223 2.220 ( 0.000 4.470 10.588) 11.493 2.249 ( 0.000 15.475 -0.972) 15.506 2.330 ( 0.000 11.365 1.026) 11.412 2.415 ( 0.000 -0.082 -10.016) 10.017 2.518 ( 0.000 9.711 -9.793) 13.792 2.529 ( 0.000 3.195 -1.718) 3.628 2.559 ( 0.000 15.042 7.193) 16.674 2.636 ( 0.000 10.090 -4.478) 11.039 2.781 ( 0.000 15.270 -3.486) 15.663 3.036 ( 0.000 13.194 3.331) 13.608 3.067 ( 0.000 9.779 -11.458) 15.064 3.128 ( 0.000 4.926 0.563) 4.958 3.215 ( 0.000 17.876 -6.997) 19.197 3.215 ( 0.000 7.002 6.059) 9.259 3.623 ( 0.000 1.719 -9.329) 9.486 3.783 ( 0.000 -3.581 11.620) 12.159 3.905 ( 0.000 -2.275 -9.940) 10.197 4.086 ( 0.000 2.269 3.909) 4.520 4.355 ( 0.000 1.461 5.328) 5.525 4.516 ( 0.000 0.139 -1.628) 1.633 4.705 ( 0.000 -3.176 8.123) 8.722 4.724 ( 0.000 -4.107 5.546) 6.902 4.834 ( 0.000 -1.082 2.797) 2.999 4.944 ( 0.000 -0.585 0.417) 0.719 5.182 ( 0.000 -1.711 -0.023) 1.711 5.274 ( 0.000 -0.182 -0.842) 0.861 5.366 ( 0.000 1.168 -1.394) 1.819 5.460 ( 0.000 -2.994 -7.372) 7.957 5.880 ( 0.000 -6.320 5.433) 8.334 6.070 ( 0.000 -8.342 -3.047) 8.881 7.001 ( 0.000 -1.392 5.508) 5.681 7.092 ( 0.000 11.561 -9.806) 15.159 7.116 ( 0.000 2.154 -3.257) 3.905 7.345 ( 0.000 -2.109 -7.887) 8.164 7.378 ( 0.000 10.311 0.551) 10.325 7.467 ( 0.000 1.158 1.518) 1.909 7.496 ( 0.000 0.212 -1.553) 1.567 7.566 ( 0.000 7.803 -4.714) 9.117 7.979 ( 0.000 16.774 3.856) 17.212 8.102 ( 0.000 13.277 -1.498) 13.361 8.277 ( 0.000 5.742 9.724) 11.292 8.343 ( 0.000 13.243 2.715) 13.518 8.421 ( 0.000 11.942 -0.321) 11.946 8.673 ( 0.000 3.230 -6.090) 6.893 9.067 ( 0.000 -7.230 2.309) 7.589 9.308 ( 0.000 -3.918 10.014) 10.753 9.404 ( 0.000 -10.727 -7.034) 12.828 9.636 ( 0.000 10.294 2.925) 10.702 9.665 ( 0.000 -7.008 -4.316) 8.230 9.869 ( 0.000 9.307 -5.551) 10.837 10.052 ( 0.000 -8.415 -0.391) 8.425 10.139 ( 0.000 8.830 -1.495) 8.955 10.218 ( 0.000 -4.496 -1.622) 4.780 10.279 ( 0.000 14.878 -13.483) 20.079 10.983 ( 0.000 -0.516 9.534) 9.548 11.313 ( 0.000 -7.918 -1.326) 8.028 11.325 ( 0.000 -15.418 4.564) 16.080 11.375 ( 0.000 -12.560 -0.483) 12.569 11.539 ( 0.000 -0.456 -0.435) 0.630 11.571 ( 0.000 0.730 -5.935) 5.980 11.806 ( 0.000 5.878 2.563) 6.412 11.866 ( 0.000 6.199 0.810) 6.252 12.594 ( 0.000 -8.082 2.419) 8.436 12.640 ( 0.000 0.544 0.675) 0.867 12.872 ( 0.000 -6.868 -1.503) 7.030 12.880 ( 0.000 -10.669 -2.477) 10.953 14.800 ( 0.000 2.776 -1.971) 3.405 14.808 ( 0.000 7.081 -6.109) 9.352 15.117 ( 0.000 -3.207 2.351) 3.976 15.282 ( 0.000 1.263 -5.510) 5.653 16.112 ( 0.000 -7.728 3.634) 8.540 16.297 ( 0.000 -11.396 -3.303) 11.865 16.482 ( 0.000 -11.491 3.998) 12.167 16.532 ( 0.000 -17.393 7.487) 18.936 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 14.224 11.972 16.296) 24.723 0.931 ( 13.093 13.955 16.041) 24.969 1.541 ( 6.670 12.493 -9.325) 16.956 1.624 ( 9.789 18.804 -5.492) 21.899 1.698 ( 10.850 20.694 8.828) 24.978 1.849 ( -3.638 15.985 0.959) 16.422 1.861 ( -10.910 7.322 2.283) 13.336 1.935 ( -8.608 10.163 4.339) 14.007 2.115 ( 0.198 5.888 -1.305) 6.034 2.143 ( -2.530 11.220 -3.032) 11.895 2.200 ( -2.926 14.225 0.097) 14.523 2.315 ( -0.961 12.309 -1.950) 12.500 2.350 ( 10.653 3.901 12.253) 16.698 2.420 ( -4.361 10.480 -6.017) 12.847 2.519 ( 7.497 3.142 -3.035) 8.677 2.635 ( 4.322 11.637 1.737) 12.535 2.668 ( 11.612 1.251 -2.109) 11.868 2.696 ( 4.526 11.868 -4.114) 13.352 2.783 ( 1.815 14.361 -0.566) 14.486 3.004 ( -2.141 11.414 1.477) 11.706 3.103 ( 0.737 2.839 10.086) 10.504 3.138 ( 0.552 16.203 -7.197) 17.738 3.184 ( -1.893 14.979 0.410) 15.103 3.259 ( 5.588 7.577 -13.953) 16.832 3.538 ( -16.157 3.504 7.814) 18.286 3.656 ( -4.636 -1.800 -6.920) 8.522 3.810 ( -8.660 -3.105 -10.748) 14.148 3.962 ( -11.747 2.415 -4.424) 12.783 4.444 ( 7.082 -0.028 8.487) 11.054 4.595 ( 4.237 -1.456 -1.856) 4.849 4.655 ( -6.215 -2.573 4.684) 8.197 4.666 ( -3.704 -1.571 0.455) 4.049 4.783 ( -5.535 -1.510 3.619) 6.784 4.839 ( -5.339 -2.412 3.220) 6.685 5.194 ( 4.007 -0.334 5.179) 6.557 5.373 ( 2.622 0.133 -0.654) 2.706 5.442 ( 7.783 -1.283 -1.892) 8.112 5.537 ( 7.793 -5.126 -6.484) 11.360 5.762 ( -8.435 -5.653 8.135) 13.011 6.058 ( -3.148 -6.428 -4.634) 8.527 7.034 ( 2.958 5.765 -1.604) 6.675 7.113 ( 0.932 2.306 -1.297) 2.805 7.166 ( 4.058 5.936 -2.296) 7.548 7.317 ( -3.527 5.723 -3.067) 7.389 7.400 ( 1.750 0.248 -0.581) 1.861 7.444 ( -0.112 3.700 -0.392) 3.723 7.534 ( 1.924 2.622 -1.748) 3.692 7.572 ( 1.482 7.169 -3.536) 8.130 8.010 ( 3.700 15.032 4.268) 16.058 8.126 ( 3.013 11.892 -1.127) 12.320 8.307 ( -0.772 11.162 3.583) 11.749 8.393 ( -2.091 11.299 -0.252) 11.493 8.442 ( 12.020 7.230 5.342) 15.009 8.698 ( 2.652 2.010 -4.247) 5.395 9.026 ( -4.264 -1.324 1.578) 4.736 9.159 ( -9.758 -2.918 1.918) 10.364 9.439 ( -2.906 -3.603 -0.154) 4.631 9.509 ( 0.493 -4.152 -0.587) 4.222 9.866 ( 6.490 4.984 1.800) 8.378 9.991 ( 9.695 1.409 -2.526) 10.117 10.068 ( 3.332 -7.238 0.145) 7.970 10.159 ( 1.140 -4.340 -1.690) 4.795 10.188 ( 1.903 4.341 -1.589) 4.998 10.306 ( 0.007 7.432 -11.326) 13.547 10.950 ( -4.959 -2.497 9.900) 11.351 11.200 ( -7.590 -12.251 4.124) 14.990 11.338 ( -5.447 -3.039 -1.704) 6.466 11.356 ( -3.395 -12.167 -1.520) 12.723 11.495 ( -1.896 -5.512 -0.215) 5.833 11.565 ( -1.907 1.583 -2.637) 3.619 11.738 ( -4.363 9.583 2.119) 10.741 11.750 ( -3.375 7.568 1.100) 8.359 12.530 ( -3.608 -4.975 2.143) 6.508 12.614 ( -3.952 -2.858 0.714) 4.930 12.885 ( 1.835 -7.000 -1.367) 7.364 12.916 ( 1.875 -7.976 -1.312) 8.298 14.797 ( 2.008 3.910 -0.868) 4.480 14.867 ( 3.435 2.057 -4.941) 6.360 15.152 ( 3.284 -2.816 2.406) 4.950 15.314 ( 1.423 -0.259 -3.689) 3.962 16.101 ( -0.629 -8.062 2.320) 8.413 16.273 ( -3.367 -11.138 -2.512) 11.904 16.433 ( -3.486 -10.488 4.068) 11.777 16.477 ( -3.320 -11.786 4.525) 13.054 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 21.041 9.010 11.011) 25.400 1.217 ( 16.588 8.576 11.771) 22.074 1.526 ( -14.041 5.038 5.619) 15.941 1.578 ( -17.736 10.025 5.854) 21.198 1.722 ( 4.999 15.120 -7.397) 17.559 1.821 ( -1.517 11.121 -5.612) 12.549 1.859 ( 5.682 11.064 -10.140) 16.047 1.960 ( 5.589 13.485 1.012) 14.632 2.065 ( -3.632 8.417 -4.746) 10.322 2.095 ( -2.928 12.700 -2.087) 13.199 2.235 ( 11.790 20.543 6.060) 24.448 2.324 ( 2.843 13.031 -3.458) 13.778 2.359 ( -2.369 11.885 -3.850) 12.715 2.534 ( -6.307 11.281 5.015) 13.864 2.632 ( 10.976 2.226 11.033) 15.721 2.706 ( 3.171 7.180 5.440) 9.550 2.743 ( 1.491 8.968 3.794) 9.851 2.795 ( 1.907 11.503 5.011) 12.691 2.900 ( 3.179 5.603 3.213) 7.199 2.937 ( -5.254 7.699 5.931) 11.048 3.110 ( -1.129 16.284 -0.185) 16.324 3.115 ( -3.101 17.266 0.952) 17.568 3.202 ( 9.296 3.102 -1.733) 9.952 3.283 ( -0.603 1.932 2.133) 2.940 3.425 ( 3.826 6.472 -18.268) 19.755 3.498 ( -11.034 1.594 -10.972) 15.642 3.609 ( -7.733 -1.691 -10.776) 13.371 3.732 ( -11.230 4.729 -16.384) 20.418 4.508 ( -1.733 0.396 2.351) 2.947 4.565 ( -3.412 -1.600 3.774) 5.333 4.570 ( 0.792 -1.646 2.564) 3.149 4.626 ( -1.961 -1.608 1.061) 2.749 4.753 ( 1.236 -3.073 2.608) 4.216 4.777 ( -1.579 -3.494 3.250) 5.027 5.290 ( 5.162 -1.487 7.103) 8.905 5.369 ( -2.721 -1.897 4.228) 5.373 5.561 ( 4.833 -2.401 -0.347) 5.408 5.638 ( -3.653 -3.456 3.873) 6.348 5.737 ( 10.880 -5.089 -2.622) 12.294 5.937 ( -9.131 -5.121 -4.412) 11.361 7.099 ( 3.425 10.334 -2.064) 11.081 7.145 ( 1.303 15.018 -1.365) 15.136 7.174 ( -0.733 -3.985 0.168) 4.055 7.239 ( -4.448 3.811 -3.366) 6.755 7.438 ( 2.071 4.197 -1.012) 4.789 7.461 ( 0.179 6.059 -1.905) 6.354 7.564 ( 2.213 -0.055 0.369) 2.244 7.599 ( -0.081 0.571 -0.434) 0.722 8.110 ( 5.853 12.746 3.378) 14.427 8.180 ( 0.281 11.203 0.760) 11.232 8.286 ( 0.383 12.955 1.548) 13.052 8.336 ( -3.414 11.405 0.004) 11.905 8.710 ( 13.341 4.400 0.259) 14.050 8.781 ( 5.947 1.349 -2.167) 6.472 8.919 ( -6.598 4.129 0.071) 7.784 8.967 ( -10.130 1.711 -0.516) 10.286 9.448 ( 3.501 -4.602 2.095) 6.150 9.506 ( -1.618 -2.201 0.298) 2.748 9.923 ( 3.439 3.491 2.736) 5.612 10.039 ( -5.206 -3.516 -1.352) 6.426 10.122 ( -1.396 -6.706 2.084) 7.159 10.131 ( -0.852 -8.345 0.853) 8.432 10.330 ( 11.273 1.681 0.286) 11.401 10.426 ( 8.556 2.055 -0.468) 8.812 10.795 ( -4.598 -1.492 6.622) 8.199 10.991 ( -16.605 1.577 1.269) 16.728 11.221 ( -1.427 -12.800 -6.053) 14.230 11.257 ( -4.135 -12.163 -5.319) 13.905 11.512 ( 1.947 -3.977 2.274) 4.978 11.544 ( -1.223 -0.702 1.679) 2.193 11.723 ( 1.640 7.742 -0.650) 7.940 11.743 ( 0.229 9.937 -0.993) 9.989 12.490 ( -0.238 -4.722 1.348) 4.916 12.528 ( -3.983 -4.214 0.776) 5.850 12.920 ( 1.423 -6.200 -0.808) 6.413 12.934 ( 0.009 -6.592 -0.821) 6.643 14.863 ( 4.018 1.766 0.532) 4.421 14.908 ( 0.044 0.772 -1.285) 1.499 15.224 ( 4.035 -2.065 1.481) 4.768 15.296 ( -3.066 -1.264 -0.088) 3.318 16.111 ( 2.074 -8.668 -1.021) 8.971 16.181 ( -5.041 -9.522 -1.912) 10.942 16.406 ( 0.220 -9.266 1.447) 9.381 16.427 ( -1.882 -9.610 1.826) 9.961 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 20.397 9.957) 22.697 1.174 ( 0.000 21.007 8.338) 22.602 1.704 ( 0.000 10.027 -12.704) 16.184 1.801 ( 0.000 12.102 -16.029) 20.084 2.145 ( 0.000 6.355 -3.706) 7.357 2.153 ( 0.000 12.826 6.514) 14.385 2.211 ( 0.000 4.177 4.740) 6.318 2.250 ( 0.000 8.956 0.111) 8.956 2.285 ( 0.000 17.781 6.236) 18.843 2.306 ( 0.000 24.944 2.512) 25.070 2.445 ( 0.000 4.394 -4.756) 6.475 2.556 ( 0.000 6.246 -0.887) 6.309 2.573 ( 0.000 17.239 -4.112) 17.722 2.633 ( 0.000 26.448 0.235) 26.449 2.714 ( 0.000 19.641 5.786) 20.476 2.720 ( 0.000 18.873 -2.197) 19.001 2.884 ( 0.000 14.380 7.604) 16.267 2.989 ( 0.000 12.482 1.003) 12.523 3.066 ( 0.000 17.083 -3.843) 17.510 3.164 ( 0.000 5.416 12.530) 13.651 3.312 ( 0.000 17.092 9.406) 19.509 3.496 ( 0.000 26.124 -18.949) 32.273 3.522 ( 0.000 18.489 3.408) 18.800 3.680 ( 0.000 17.350 -3.703) 17.741 3.693 ( 0.000 14.938 -10.607) 18.320 3.778 ( 0.000 0.929 -5.672) 5.748 3.922 ( 0.000 8.836 1.035) 8.897 4.179 ( 0.000 8.024 -0.164) 8.025 4.411 ( 0.000 4.310 5.763) 7.196 4.549 ( 0.000 3.432 -0.407) 3.456 4.621 ( 0.000 -4.116 5.992) 7.270 4.629 ( 0.000 -5.253 3.828) 6.500 4.803 ( 0.000 -1.991 2.468) 3.171 4.919 ( 0.000 -1.930 -2.063) 2.825 5.176 ( 0.000 2.233 2.416) 3.289 5.275 ( 0.000 0.248 0.009) 0.248 5.395 ( 0.000 -3.092 -4.749) 5.667 5.403 ( 0.000 2.227 -2.326) 3.220 5.761 ( 0.000 -5.020 1.548) 5.254 5.886 ( 0.000 -9.491 -3.251) 10.032 6.967 ( 0.000 -2.045 3.855) 4.364 7.059 ( 0.000 -5.943 2.257) 6.357 7.159 ( 0.000 -1.795 -6.802) 7.035 7.314 ( 0.000 -1.476 -5.215) 5.420 7.478 ( 0.000 3.262 0.126) 3.264 7.536 ( 0.000 3.531 -3.996) 5.333 7.673 ( 0.000 12.327 1.054) 12.372 7.724 ( 0.000 6.833 -1.434) 6.981 8.310 ( 0.000 11.784 1.872) 11.932 8.373 ( 0.000 11.263 -1.096) 11.316 8.469 ( 0.000 14.018 9.854) 17.135 8.612 ( 0.000 2.222 2.033) 3.012 8.676 ( 0.000 15.874 -0.685) 15.889 8.761 ( 0.000 8.302 -0.797) 8.340 8.928 ( 0.000 -3.688 0.948) 3.808 9.178 ( 0.000 -10.881 -9.111) 14.192 9.310 ( 0.000 4.927 4.295) 6.536 9.461 ( 0.000 -12.507 -1.843) 12.642 9.820 ( 0.000 -9.427 5.397) 10.862 9.913 ( 0.000 16.806 2.391) 16.975 10.054 ( 0.000 7.357 1.036) 7.429 10.079 ( 0.000 -5.373 -4.167) 6.800 10.332 ( 0.000 7.339 -0.315) 7.345 10.494 ( 0.000 5.812 -11.924) 13.265 10.929 ( 0.000 -4.593 8.647) 9.791 11.042 ( 0.000 -10.804 -1.378) 10.891 11.123 ( 0.000 -4.677 -1.667) 4.965 11.264 ( 0.000 -3.407 5.173) 6.194 11.546 ( 0.000 0.656 1.059) 1.246 11.579 ( 0.000 -0.880 -11.864) 11.897 11.920 ( 0.000 5.431 2.613) 6.027 11.972 ( 0.000 3.172 3.459) 4.693 12.352 ( 0.000 -15.063 4.750) 15.794 12.570 ( 0.000 -12.285 -4.289) 13.012 12.619 ( 0.000 -10.748 -0.276) 10.751 12.677 ( 0.000 -12.524 -2.610) 12.793 14.814 ( 0.000 -2.040 -1.869) 2.767 14.857 ( 0.000 -0.657 -4.363) 4.412 15.043 ( 0.000 -3.867 5.171) 6.458 15.284 ( 0.000 -1.383 -5.535) 5.705 15.901 ( 0.000 -12.792 2.223) 12.984 16.005 ( 0.000 -16.824 -1.170) 16.865 16.178 ( 0.000 -18.159 2.851) 18.382 16.185 ( 0.000 -18.271 4.397) 18.793 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 6.982 18.837 9.728) 22.321 1.263 ( 7.976 18.035 8.889) 21.631 1.721 ( 2.269 9.110 -11.804) 15.082 1.877 ( 5.636 10.564 -14.177) 18.557 2.021 ( -10.657 9.143 -3.221) 14.407 2.135 ( -3.426 7.756 -4.506) 9.602 2.156 ( -7.500 7.218 2.582) 10.724 2.259 ( 2.380 14.796 4.521) 15.654 2.324 ( 6.251 22.414 6.611) 24.190 2.374 ( 6.413 13.567 7.822) 16.923 2.522 ( -4.127 19.614 -1.668) 20.113 2.560 ( 1.766 3.116 -6.419) 7.351 2.588 ( 4.603 12.413 -4.991) 14.149 2.660 ( 2.789 13.701 -1.256) 14.038 2.727 ( 3.967 22.594 5.393) 23.565 2.758 ( 7.620 18.762 2.781) 20.441 2.892 ( 0.022 11.360 7.671) 13.707 2.991 ( -0.619 9.509 5.909) 11.212 3.058 ( 0.090 13.559 -2.982) 13.883 3.203 ( 2.849 11.783 6.206) 13.619 3.321 ( 1.344 18.231 7.756) 19.857 3.469 ( -3.437 17.104 0.306) 17.448 3.559 ( 2.661 22.795 -9.357) 24.784 3.609 ( -7.170 12.943 -4.114) 15.358 3.686 ( -1.597 11.481 -11.196) 16.116 3.730 ( -3.326 13.225 -4.729) 14.433 3.816 ( -9.600 11.923 -1.884) 15.423 4.093 ( -7.100 11.689 -5.469) 14.729 4.462 ( 4.315 1.520 7.511) 8.795 4.570 ( -1.407 -2.634 3.038) 4.260 4.596 ( -0.375 -0.942 1.677) 1.960 4.629 ( -0.736 -0.870 2.765) 2.991 4.749 ( -5.333 -2.455 1.221) 5.997 4.794 ( -7.472 -0.672 -0.002) 7.502 5.215 ( 3.621 2.873 4.253) 6.282 5.365 ( 1.961 -1.432 -1.101) 2.667 5.423 ( 4.168 -0.361 -1.342) 4.394 5.455 ( 7.252 -2.865 -4.972) 9.248 5.654 ( -6.860 -4.763 4.927) 9.696 5.910 ( -0.823 -7.832 -5.564) 9.643 7.011 ( 3.233 -3.227 2.902) 5.412 7.058 ( 0.150 -5.567 2.572) 6.134 7.226 ( 5.986 -1.508 -5.968) 8.587 7.314 ( 1.707 -2.445 -3.796) 4.827 7.518 ( 2.496 5.869 -1.658) 6.589 7.557 ( 1.479 3.375 -3.344) 4.976 7.653 ( -1.770 10.413 1.547) 10.675 7.721 ( -1.101 6.495 -1.210) 6.698 8.359 ( 3.012 16.364 0.818) 16.659 8.387 ( 2.661 11.826 -0.165) 12.123 8.531 ( 6.625 9.736 5.937) 13.188 8.577 ( -1.207 3.470 1.652) 4.029 8.690 ( 1.581 15.112 1.471) 15.266 8.784 ( 1.750 7.279 -0.565) 7.508 8.972 ( 3.748 -0.316 1.805) 4.172 9.170 ( -2.242 2.535 -4.246) 5.430 9.317 ( -1.757 -6.234 0.544) 6.499 9.385 ( -1.909 -8.138 -0.255) 8.363 9.809 ( -0.548 -10.451 4.341) 11.330 10.009 ( -5.519 -7.982 -1.986) 9.906 10.048 ( 8.832 12.190 1.801) 15.160 10.099 ( 3.165 4.660 0.065) 5.634 10.297 ( -1.476 4.717 -0.953) 5.033 10.436 ( -4.821 4.166 -8.218) 10.399 10.873 ( -5.712 -3.797 7.277) 10.000 10.994 ( -2.020 -7.557 -2.508) 8.215 11.153 ( 0.217 -4.269 -2.970) 5.205 11.323 ( 2.818 -1.295 3.326) 4.547 11.416 ( -8.864 -1.618 -1.091) 9.076 11.602 ( -2.214 1.626 -3.791) 4.681 11.881 ( -4.404 5.783 1.015) 7.339 11.901 ( -1.025 5.058 2.539) 5.751 12.326 ( -1.855 -14.467 3.104) 14.912 12.496 ( -6.805 -9.487 -2.391) 11.918 12.651 ( 3.370 -15.597 -0.599) 15.968 12.716 ( 1.792 -12.220 -2.128) 12.533 14.833 ( 1.958 -0.917 -1.178) 2.463 14.875 ( 1.974 -0.972 -3.575) 4.198 15.081 ( 3.557 -4.075 4.714) 7.175 15.289 ( -0.220 -2.367 -3.338) 4.098 15.881 ( -1.445 -13.503 1.272) 13.640 15.991 ( -2.164 -16.332 -1.319) 16.528 16.155 ( -1.111 -16.836 2.433) 17.047 16.183 ( -0.546 -17.160 2.603) 17.365 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 17.378 12.191 8.357) 22.814 1.453 ( 11.810 13.716 7.676) 19.660 1.672 ( -9.797 9.337 2.168) 13.706 1.778 ( -16.715 9.804 3.466) 19.685 1.975 ( 2.413 7.542 -9.827) 12.620 2.031 ( 1.845 12.748 -11.112) 17.012 2.115 ( 0.912 7.975 -10.854) 13.500 2.228 ( -5.713 17.631 -5.374) 19.297 2.406 ( 1.635 21.306 1.946) 21.457 2.441 ( -2.409 19.778 0.236) 19.925 2.549 ( 6.763 9.706 5.729) 13.144 2.585 ( 5.083 9.562 0.479) 10.840 2.634 ( 0.946 12.163 0.205) 12.202 2.749 ( -0.603 4.759 5.058) 6.971 2.816 ( 3.374 12.809 2.524) 13.484 2.854 ( -2.139 5.369 6.656) 8.815 2.956 ( 10.437 25.072 7.575) 28.195 3.024 ( 5.582 9.470 4.894) 12.033 3.126 ( 6.281 12.256 -3.796) 14.286 3.206 ( -4.334 13.004 1.732) 13.816 3.343 ( -2.414 17.230 4.779) 18.043 3.369 ( -1.439 11.328 3.237) 11.869 3.472 ( -4.986 11.438 -2.279) 12.684 3.533 ( -8.019 11.751 -5.968) 15.428 3.601 ( -3.223 19.827 0.090) 20.088 3.617 ( -6.265 18.093 -2.067) 19.258 3.796 ( 7.682 22.192 -17.362) 29.205 3.953 ( -7.891 18.224 -13.319) 23.912 4.508 ( -1.382 -0.498 1.707) 2.252 4.533 ( 0.007 -1.755 1.401) 2.246 4.555 ( -1.229 -0.346 6.027) 6.161 4.605 ( -2.775 -0.047 -0.127) 2.778 4.686 ( 0.808 -2.521 3.915) 4.726 4.721 ( -2.051 0.216 3.338) 3.924 5.286 ( 3.519 1.446 4.201) 5.668 5.344 ( -2.520 -0.209 1.180) 2.790 5.500 ( 3.613 -3.679 0.416) 5.174 5.560 ( -3.245 -4.113 3.747) 6.441 5.648 ( 10.729 -3.985 -4.372) 12.252 5.827 ( -7.491 -5.745 -5.659) 11.006 7.052 ( 1.187 -5.245 1.533) 5.592 7.063 ( 0.010 -5.496 1.862) 5.803 7.344 ( 5.697 0.272 -4.426) 7.219 7.384 ( 3.308 -0.241 -5.634) 6.538 7.520 ( -1.320 4.038 0.179) 4.252 7.557 ( -2.469 4.105 -2.409) 5.362 7.643 ( 1.112 8.789 1.146) 8.933 7.676 ( -2.465 6.754 0.216) 7.193 8.420 ( 3.294 15.737 2.172) 16.224 8.440 ( 1.595 12.977 1.543) 13.165 8.576 ( 0.709 9.575 0.823) 9.637 8.595 ( -1.028 14.201 0.129) 14.239 8.816 ( 8.017 4.490 0.303) 9.193 8.862 ( 8.312 10.266 0.083) 13.209 8.978 ( -3.782 2.727 1.169) 4.807 9.077 ( -7.521 9.522 -2.168) 12.326 9.313 ( 5.432 -8.663 3.128) 10.692 9.405 ( -0.940 -7.936 1.727) 8.176 9.813 ( 1.793 -11.972 1.344) 12.180 9.896 ( -5.892 -10.436 -0.820) 12.012 10.073 ( -2.494 2.324 -0.057) 3.409 10.092 ( -4.605 0.202 -0.833) 4.684 10.372 ( 7.487 4.065 1.757) 8.699 10.451 ( 3.577 1.531 1.645) 4.224 10.782 ( 2.096 0.893 2.928) 3.710 11.005 ( -1.829 -6.468 -5.848) 8.909 11.046 ( -10.669 3.822 -2.824) 11.680 11.126 ( -9.049 -1.066 -7.067) 11.530 11.454 ( 5.310 -1.181 7.203) 9.026 11.543 ( -3.802 0.749 5.529) 6.752 11.866 ( 2.995 6.416 -2.449) 7.492 11.913 ( -0.333 6.613 -2.613) 7.118 12.306 ( 0.408 -13.806 1.512) 13.895 12.365 ( -5.797 -12.288 0.149) 13.588 12.704 ( 1.975 -15.212 -0.995) 15.372 12.727 ( -0.452 -14.039 -1.486) 14.125 14.882 ( 2.733 -0.439 -0.196) 2.775 14.908 ( 0.494 -1.003 -1.286) 1.704 15.163 ( 4.839 -3.901 3.149) 6.968 15.251 ( -3.836 -3.274 0.622) 5.081 15.875 ( 1.245 -14.460 -1.344) 14.576 15.927 ( -3.794 -15.366 -1.969) 15.949 16.152 ( 0.636 -15.646 1.285) 15.711 16.169 ( -0.916 -15.699 1.174) 15.770 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 17.218 4.707) 17.850 1.559 ( 0.000 17.197 2.360) 17.358 1.916 ( 0.000 10.709 -4.751) 11.715 2.048 ( 0.000 13.025 -12.214) 17.856 2.195 ( 0.000 0.415 7.453) 7.465 2.204 ( 0.000 1.436 -4.776) 4.987 2.315 ( 0.000 3.290 -8.157) 8.795 2.381 ( 0.000 2.141 -0.337) 2.168 2.528 ( 0.000 6.847 -4.487) 8.186 2.569 ( 0.000 12.248 -3.912) 12.857 2.755 ( 0.000 10.390 8.866) 13.658 2.757 ( 0.000 13.354 1.397) 13.426 2.929 ( 0.000 13.564 -0.749) 13.584 3.009 ( 0.000 16.751 5.236) 17.550 3.033 ( 0.000 19.253 1.165) 19.288 3.103 ( 0.000 8.215 -0.455) 8.228 3.211 ( 0.000 15.994 5.672) 16.970 3.282 ( 0.000 5.503 5.922) 8.084 3.333 ( 0.000 18.213 3.052) 18.467 3.497 ( 0.000 21.060 9.198) 22.981 3.599 ( 0.000 22.981 2.633) 23.132 3.739 ( 0.000 -1.203 -10.578) 10.647 3.754 ( 0.000 2.439 -2.944) 3.823 3.919 ( 0.000 16.902 6.354) 18.057 4.060 ( 0.000 25.589 -11.923) 28.230 4.230 ( 0.000 25.829 -3.788) 26.105 4.307 ( 0.000 23.430 -0.058) 23.430 4.382 ( 0.000 6.487 -3.883) 7.560 4.430 ( 0.000 -4.081 4.828) 6.322 4.567 ( 0.000 7.612 0.561) 7.633 4.634 ( 0.000 8.692 1.581) 8.835 4.672 ( 0.000 0.692 -2.970) 3.050 4.840 ( 0.000 12.952 2.214) 13.140 4.906 ( 0.000 2.324 -0.756) 2.444 5.265 ( 0.000 -1.594 1.502) 2.190 5.279 ( 0.000 7.587 -0.867) 7.636 5.363 ( 0.000 0.819 0.131) 0.829 5.448 ( 0.000 3.013 -1.447) 3.343 5.697 ( 0.000 -1.192 0.213) 1.211 5.725 ( 0.000 -5.877 -1.033) 5.967 6.893 ( 0.000 -5.583 4.029) 6.885 6.970 ( 0.000 -1.815 5.791) 6.068 7.105 ( 0.000 -2.736 -6.012) 6.605 7.269 ( 0.000 -3.304 -2.611) 4.211 7.556 ( 0.000 4.394 -0.489) 4.421 7.606 ( 0.000 2.907 -4.379) 5.256 7.811 ( 0.000 1.922 0.824) 2.092 7.846 ( 0.000 5.342 -0.428) 5.359 8.388 ( 0.000 -2.882 3.013) 4.170 8.469 ( 0.000 -1.288 -1.699) 2.132 8.519 ( 0.000 -7.909 6.734) 10.388 8.710 ( 0.000 6.883 2.959) 7.492 8.820 ( 0.000 5.494 -4.536) 7.124 8.895 ( 0.000 -0.156 1.998) 2.004 8.952 ( 0.000 -4.618 -5.682) 7.322 9.032 ( 0.000 -4.648 -4.494) 6.465 9.321 ( 0.000 7.702 5.000) 9.182 9.520 ( 0.000 13.777 -2.538) 14.009 9.741 ( 0.000 1.407 4.591) 4.801 10.001 ( 0.000 -0.480 -5.827) 5.846 10.152 ( 0.000 1.729 7.554) 7.749 10.287 ( 0.000 15.450 1.390) 15.512 10.443 ( 0.000 6.013 0.878) 6.077 10.513 ( 0.000 -4.049 0.816) 4.130 10.884 ( 0.000 1.287 -0.262) 1.313 10.954 ( 0.000 0.457 -3.599) 3.628 11.066 ( 0.000 -2.137 -4.031) 4.562 11.243 ( 0.000 0.991 3.268) 3.415 11.480 ( 0.000 -9.516 -9.382) 13.364 11.544 ( 0.000 -1.311 5.220) 5.382 11.913 ( 0.000 -9.425 3.829) 10.173 12.006 ( 0.000 2.034 -1.518) 2.538 12.097 ( 0.000 -9.426 10.600) 14.185 12.266 ( 0.000 -13.105 -3.690) 13.615 12.394 ( 0.000 -14.280 -2.581) 14.511 12.411 ( 0.000 -12.410 -6.729) 14.117 14.732 ( 0.000 -5.387 -1.454) 5.580 14.827 ( 0.000 -1.694 -5.165) 5.436 14.964 ( 0.000 -4.072 7.621) 8.641 15.235 ( 0.000 -3.155 -3.542) 4.744 15.634 ( 0.000 -13.320 1.359) 13.389 15.664 ( 0.000 -16.842 0.321) 16.845 15.801 ( 0.000 -19.978 1.523) 20.036 15.801 ( 0.000 -18.716 1.091) 18.748 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 3.857 17.292 5.138) 18.447 1.603 ( 4.552 15.524 2.605) 16.386 1.916 ( 0.201 9.904 -5.246) 11.209 2.075 ( 2.235 9.248 -8.176) 12.545 2.173 ( -5.917 5.833 -8.765) 12.077 2.200 ( -1.177 2.921 -3.865) 4.985 2.274 ( -0.130 2.824 4.908) 5.664 2.451 ( 2.933 10.196 0.609) 10.626 2.546 ( 8.439 -0.142 0.054) 8.441 2.638 ( 0.826 9.451 -4.864) 10.661 2.705 ( -1.933 9.377 0.029) 9.574 2.792 ( 3.780 10.403 5.306) 12.275 2.918 ( -2.780 19.715 1.640) 19.977 3.000 ( -0.498 17.925 1.113) 17.966 3.016 ( -3.029 6.753 5.383) 9.152 3.085 ( -2.083 18.556 -1.055) 18.702 3.107 ( -1.809 5.770 6.414) 8.815 3.208 ( -3.625 9.200 -0.190) 9.890 3.440 ( 1.065 13.058 -2.439) 13.326 3.548 ( -0.246 28.150 6.795) 28.959 3.596 ( 2.123 7.349 2.558) 8.065 3.708 ( 0.051 3.717 -6.336) 7.346 3.768 ( 2.344 13.200 2.049) 13.562 3.863 ( -5.398 16.653 7.203) 18.930 4.099 ( 2.055 25.315 -8.912) 26.916 4.190 ( -1.644 22.955 -6.119) 23.813 4.275 ( -4.193 26.387 0.356) 26.721 4.368 ( -1.609 7.268 -3.239) 8.118 4.429 ( 0.473 -4.888 4.238) 6.486 4.551 ( -0.472 8.604 -0.719) 8.647 4.673 ( -1.703 -0.430 -0.287) 1.780 4.702 ( 4.982 9.877 0.704) 11.084 4.721 ( -7.479 9.490 1.287) 12.152 4.893 ( -2.179 12.337 -3.291) 12.953 5.303 ( 2.454 1.945 3.763) 4.895 5.333 ( 3.753 2.236 0.534) 4.401 5.407 ( 5.549 -1.147 -2.592) 6.231 5.435 ( -1.255 1.546 -1.240) 2.346 5.597 ( -5.388 -0.416 3.453) 6.413 5.770 ( 0.108 -5.590 -3.782) 6.750 6.912 ( 1.615 -5.903 4.883) 7.830 6.978 ( 0.489 -2.434 4.775) 5.382 7.169 ( 5.834 -3.127 -5.191) 8.412 7.263 ( 1.031 -3.115 -2.806) 4.317 7.590 ( -2.283 0.810 -1.492) 2.845 7.618 ( 5.480 4.232 -1.936) 7.190 7.787 ( -3.724 2.285 0.206) 4.374 7.841 ( -0.095 6.015 -1.841) 6.291 8.457 ( 5.981 -6.651 0.921) 8.992 8.504 ( 4.976 -0.070 -1.041) 5.084 8.594 ( 7.238 0.886 5.283) 9.005 8.712 ( 1.620 5.462 3.452) 6.661 8.855 ( 1.590 3.418 -0.850) 3.864 8.884 ( 1.198 2.999 0.910) 3.355 9.028 ( 4.501 -7.222 -4.327) 9.546 9.101 ( 7.058 -6.635 -4.493) 10.678 9.278 ( -3.334 12.661 5.568) 14.227 9.487 ( -3.430 14.882 -2.451) 15.467 9.688 ( -4.803 -1.690 3.738) 6.317 9.862 ( -10.759 -6.449 -1.096) 12.592 10.148 ( -3.898 -0.132 3.272) 5.091 10.277 ( -6.086 3.661 -0.922) 7.162 10.428 ( 3.849 13.115 1.202) 13.721 10.485 ( -1.062 1.728 0.085) 2.030 10.841 ( -3.859 0.346 2.869) 4.821 10.967 ( 2.161 4.491 -6.027) 7.821 11.111 ( 3.338 -1.500 -4.463) 5.771 11.309 ( 3.528 -1.564 -1.156) 4.029 11.405 ( -4.579 0.496 2.192) 5.100 11.602 ( 1.726 -2.476 0.953) 3.165 11.872 ( -2.971 -7.219 3.218) 8.443 11.914 ( -3.743 -7.363 3.228) 8.868 12.083 ( -2.239 -4.912 1.728) 5.669 12.283 ( -8.483 -12.172 -3.198) 15.177 12.315 ( 3.251 -14.728 -1.748) 15.184 12.434 ( -0.329 -15.117 -4.344) 15.732 14.765 ( 3.189 -5.054 -1.497) 6.160 14.847 ( 1.665 -1.860 -4.797) 5.408 14.997 ( 3.262 -4.266 7.077) 8.884 15.228 ( -1.116 -3.569 -1.734) 4.122 15.595 ( -2.641 -14.486 1.155) 14.770 15.656 ( -1.917 -16.763 0.111) 16.873 15.798 ( 0.553 -18.085 0.830) 18.112 15.822 ( 1.324 -18.291 0.477) 18.345 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 9.989 13.157 5.190) 17.316 1.718 ( 6.790 12.250 3.225) 14.372 1.868 ( -5.260 9.697 -1.066) 11.083 1.972 ( -13.758 9.160 1.484) 16.594 2.122 ( 3.184 7.355 -6.714) 10.455 2.200 ( -3.623 6.445 -6.693) 9.973 2.288 ( 9.304 7.769 -9.056) 15.131 2.498 ( -9.469 8.994 -8.907) 15.808 2.633 ( 9.587 3.530 7.194) 12.495 2.704 ( 3.925 6.645 3.959) 8.674 2.753 ( 5.668 5.781 5.590) 9.839 2.810 ( -5.769 8.411 5.946) 11.806 2.886 ( 1.487 12.350 2.916) 12.776 2.931 ( -3.663 17.465 2.418) 18.008 2.996 ( -0.912 8.496 -1.832) 8.739 3.035 ( -2.126 13.815 -0.589) 13.990 3.142 ( 4.962 10.929 0.312) 12.007 3.251 ( 8.205 3.713 -6.778) 11.271 3.316 ( -9.982 4.790 -3.485) 11.607 3.460 ( -10.348 4.126 -6.352) 12.824 3.630 ( 5.031 19.851 6.809) 21.581 3.741 ( -6.428 17.541 7.912) 20.288 3.816 ( 6.767 20.969 3.494) 22.309 3.855 ( 4.489 22.033 5.541) 23.159 4.061 ( -2.581 23.105 -2.259) 23.358 4.135 ( -8.808 27.289 2.793) 28.811 4.251 ( 5.352 18.320 -9.291) 21.228 4.330 ( -2.700 10.506 -5.269) 12.060 4.467 ( 3.850 -2.790 2.476) 5.361 4.560 ( 1.474 10.931 -1.646) 11.152 4.575 ( -6.769 0.025 0.619) 6.798 4.611 ( -4.057 10.045 -1.594) 10.950 4.800 ( 4.307 13.701 0.461) 14.370 4.858 ( -1.899 14.226 -1.825) 14.467 5.340 ( 2.091 2.174 2.096) 3.673 5.380 ( -0.945 5.115 0.446) 5.220 5.424 ( 2.200 -3.218 1.643) 4.230 5.478 ( -2.005 -3.322 2.593) 4.667 5.586 ( 6.649 -1.725 -1.987) 7.151 5.716 ( -5.528 -5.061 -4.218) 8.600 6.944 ( 1.667 -5.118 4.886) 7.270 6.972 ( -1.125 -3.927 4.451) 6.042 7.282 ( 5.457 -4.263 -3.456) 7.739 7.325 ( 2.836 -4.819 -5.072) 7.549 7.539 ( -0.579 0.677 1.460) 1.711 7.629 ( -7.037 2.490 -2.456) 7.858 7.768 ( 4.518 4.160 -0.681) 6.180 7.831 ( -1.526 6.568 -2.942) 7.357 8.596 ( 5.355 -0.808 1.455) 5.608 8.616 ( 5.662 2.413 1.608) 6.361 8.675 ( 2.802 3.701 -0.090) 4.643 8.745 ( -1.638 2.682 -0.850) 3.256 8.896 ( 2.810 1.821 2.039) 3.920 9.002 ( -4.928 -9.225 3.120) 10.914 9.039 ( 13.426 4.821 2.823) 14.542 9.221 ( 0.066 -3.891 2.605) 4.683 9.282 ( 5.277 15.694 -2.491) 16.743 9.394 ( -5.992 15.365 -2.828) 16.733 9.606 ( -1.987 -8.560 1.476) 8.911 9.672 ( -8.240 -11.325 -0.375) 14.011 10.029 ( -4.052 -4.237 1.594) 6.076 10.095 ( -9.452 -2.119 -0.863) 9.725 10.511 ( 3.166 7.189 0.921) 7.909 10.541 ( 2.696 8.156 0.269) 8.594 10.832 ( 6.324 4.309 1.787) 7.858 10.997 ( -2.515 4.660 -5.749) 7.816 11.129 ( -1.685 4.207 -4.664) 6.503 11.177 ( -8.745 4.213 -6.883) 11.899 11.470 ( 6.105 2.487 9.715) 11.740 11.565 ( -3.902 1.051 7.973) 8.939 11.907 ( 5.031 -9.505 -0.691) 10.777 11.931 ( 5.897 -10.359 0.185) 11.921 12.013 ( -5.103 -7.852 -1.583) 9.497 12.096 ( -10.340 -10.739 -1.360) 14.969 12.366 ( 2.279 -16.264 -1.848) 16.526 12.408 ( -2.055 -16.104 -3.052) 16.519 14.833 ( 3.289 -4.268 -1.822) 5.688 14.868 ( -0.107 -3.096 -3.250) 4.490 15.080 ( 5.278 -4.052 5.339) 8.531 15.178 ( -4.290 -3.799 2.315) 6.180 15.567 ( 0.211 -15.734 -0.557) 15.746 15.602 ( -3.013 -16.564 -0.793) 16.854 15.819 ( 1.362 -16.847 0.347) 16.906 15.836 ( -0.113 -16.843 -0.111) 16.844 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 12.582 1.162) 12.636 1.846 ( 0.000 11.689 -1.208) 11.752 2.100 ( 0.000 7.152 1.203) 7.252 2.210 ( 0.000 1.115 3.807) 3.967 2.221 ( 0.000 0.585 -4.182) 4.223 2.297 ( 0.000 10.191 -7.509) 12.658 2.374 ( 0.000 3.400 -6.225) 7.093 2.388 ( 0.000 0.284 -1.617) 1.642 2.695 ( 0.000 9.409 -3.319) 9.977 2.767 ( 0.000 5.877 5.310) 7.920 2.896 ( 0.000 7.798 0.660) 7.826 2.900 ( 0.000 4.200 5.731) 7.105 3.179 ( 0.000 11.427 0.182) 11.428 3.213 ( 0.000 2.610 3.811) 4.619 3.322 ( 0.000 1.847 1.831) 2.600 3.353 ( 0.000 12.434 4.726) 13.301 3.411 ( 0.000 14.662 -1.219) 14.712 3.486 ( 0.000 10.615 5.874) 12.132 3.520 ( 0.000 7.589 2.126) 7.881 3.702 ( 0.000 3.327 -4.619) 5.692 3.760 ( 0.000 6.449 -9.416) 11.412 3.776 ( 0.000 1.118 -3.642) 3.809 4.076 ( 0.000 0.398 7.810) 7.820 4.220 ( 0.000 5.212 8.048) 9.588 4.286 ( 0.000 -1.147 2.237) 2.514 4.364 ( 0.000 21.962 3.009) 22.168 4.493 ( 0.000 -5.143 -2.891) 5.899 4.532 ( 0.000 11.464 -6.918) 13.389 4.784 ( 0.000 9.026 -0.152) 9.028 4.836 ( 0.000 20.192 -6.029) 21.073 4.849 ( 0.000 20.859 -2.112) 20.965 4.883 ( 0.000 19.406 -5.542) 20.181 5.021 ( 0.000 7.156 0.745) 7.195 5.178 ( 0.000 5.873 4.717) 7.533 5.300 ( 0.000 16.567 -7.178) 18.055 5.450 ( 0.000 11.105 -5.674) 12.470 5.463 ( 0.000 9.617 8.145) 12.602 5.614 ( 0.000 13.703 2.387) 13.909 5.671 ( 0.000 0.890 1.533) 1.773 5.715 ( 0.000 3.288 1.904) 3.800 6.813 ( 0.000 -1.443 6.176) 6.342 6.945 ( 0.000 -1.414 3.265) 3.558 7.063 ( 0.000 -1.480 -4.781) 5.005 7.183 ( 0.000 -5.006 -3.886) 6.337 7.638 ( 0.000 3.502 0.033) 3.502 7.641 ( 0.000 0.746 -0.625) 0.973 7.811 ( 0.000 -1.486 2.136) 2.602 7.903 ( 0.000 0.780 -1.534) 1.721 8.272 ( 0.000 -5.632 2.212) 6.051 8.407 ( 0.000 -2.547 7.261) 7.695 8.427 ( 0.000 -1.081 -5.170) 5.282 8.728 ( 0.000 -4.004 -0.000) 4.004 8.759 ( 0.000 -11.076 -2.899) 11.449 8.849 ( 0.000 -5.174 -7.886) 9.432 8.906 ( 0.000 1.185 2.390) 2.667 8.988 ( 0.000 5.486 -0.823) 5.548 9.576 ( 0.000 9.867 2.386) 10.151 9.789 ( 0.000 12.612 -3.887) 13.197 9.805 ( 0.000 2.597 2.753) 3.784 10.006 ( 0.000 -0.120 -4.980) 4.981 10.129 ( 0.000 -2.116 14.831) 14.981 10.355 ( 0.000 -4.458 1.977) 4.877 10.355 ( 0.000 -10.536 5.144) 11.725 10.701 ( 0.000 13.522 -0.443) 13.529 10.867 ( 0.000 -16.128 -7.198) 17.661 10.926 ( 0.000 -0.271 -5.536) 5.543 11.072 ( 0.000 4.981 -1.618) 5.238 11.137 ( 0.000 -4.000 -9.742) 10.531 11.484 ( 0.000 5.893 8.387) 10.250 11.486 ( 0.000 -4.563 8.544) 9.686 11.636 ( 0.000 -14.584 9.608) 17.465 11.929 ( 0.000 -11.348 -5.252) 12.505 11.970 ( 0.000 -2.319 0.863) 2.474 12.013 ( 0.000 -12.941 -3.296) 13.354 12.217 ( 0.000 -8.246 -6.052) 10.229 12.219 ( 0.000 -0.163 -3.375) 3.379 14.626 ( 0.000 -4.828 -0.787) 4.892 14.801 ( 0.000 -0.871 -8.159) 8.205 14.885 ( 0.000 -3.743 8.730) 9.498 15.165 ( 0.000 -4.230 -2.306) 4.818 15.355 ( 0.000 -14.652 4.775) 15.411 15.379 ( 0.000 -13.199 1.146) 13.249 15.430 ( 0.000 -15.242 -0.821) 15.264 15.491 ( 0.000 -10.706 -0.972) 10.750 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 3.235 12.429 1.234) 12.902 1.868 ( 2.342 11.062 -0.941) 11.346 2.084 ( -1.553 6.650 -1.150) 6.925 2.197 ( -0.188 2.408 -0.513) 2.469 2.231 ( -1.205 1.180 0.680) 1.819 2.304 ( 1.194 6.934 -8.252) 10.844 2.356 ( 0.311 5.044 -1.231) 5.201 2.514 ( 8.565 -1.396 -2.996) 9.181 2.660 ( -0.363 9.631 2.967) 10.084 2.806 ( 1.042 3.633 1.802) 4.187 2.822 ( 0.750 8.846 -5.149) 10.263 2.933 ( -5.715 5.189 9.856) 12.519 3.133 ( -0.730 2.705 4.591) 5.378 3.187 ( -4.184 9.096 -1.930) 10.196 3.248 ( -2.179 7.530 3.404) 8.546 3.321 ( -0.208 9.760 -1.089) 9.823 3.386 ( -4.627 13.083 -0.374) 13.882 3.462 ( -1.791 15.382 1.101) 15.525 3.606 ( -6.735 6.735 -5.934) 11.222 3.671 ( -0.619 3.971 -1.929) 4.457 3.746 ( 8.766 0.907 0.475) 8.826 3.812 ( 1.766 5.777 2.044) 6.377 4.056 ( -3.677 3.432 7.944) 9.403 4.194 ( -0.122 -0.961 5.158) 5.248 4.327 ( 1.302 -3.942 0.343) 4.166 4.366 ( -0.271 12.750 1.164) 12.805 4.464 ( -0.723 11.425 -0.600) 11.464 4.553 ( 2.004 11.537 -4.220) 12.447 4.773 ( -1.493 9.443 -1.330) 9.652 4.790 ( -3.818 23.064 -0.333) 23.381 4.853 ( 0.804 14.398 -9.578) 17.312 4.915 ( 1.153 17.084 -5.325) 17.932 5.047 ( 4.011 15.050 2.053) 15.709 5.220 ( 2.420 6.738 4.541) 8.479 5.312 ( 1.584 14.346 -7.224) 16.140 5.434 ( -0.751 9.209 -3.109) 9.749 5.483 ( 1.339 8.921 5.349) 10.488 5.602 ( -1.178 13.612 2.662) 13.920 5.634 ( -2.397 4.541 2.650) 5.778 5.714 ( -1.191 1.066 0.556) 1.693 6.828 ( 1.455 -2.011 6.078) 6.565 6.932 ( -1.263 -2.432 3.598) 4.523 7.116 ( 4.843 -2.243 -4.575) 7.029 7.185 ( 0.739 -4.413 -3.731) 5.826 7.606 ( -2.960 1.421 1.455) 3.591 7.689 ( 5.564 2.586 -0.756) 6.182 7.815 ( -2.933 1.451 0.124) 3.275 7.920 ( 1.915 1.758 -3.691) 4.515 8.292 ( 4.852 -7.822 3.266) 9.767 8.462 ( 4.209 -2.695 -4.174) 6.512 8.537 ( 10.998 -4.169 7.370) 13.880 8.732 ( 0.561 -2.576 -0.231) 2.646 8.807 ( 0.240 -6.873 -2.750) 7.407 8.850 ( 1.998 -7.786 -0.747) 8.073 8.982 ( 7.085 0.717 -1.244) 7.229 9.037 ( 6.871 6.244 -1.883) 9.473 9.536 ( -4.529 4.084 1.257) 6.226 9.664 ( -12.427 -3.223 1.118) 12.887 9.770 ( -4.755 10.058 -2.180) 11.337 9.799 ( -10.596 5.215 -0.647) 11.827 10.099 ( -7.652 -2.660 8.578) 11.799 10.269 ( -8.325 -1.768 0.966) 8.566 10.479 ( 8.785 -2.992 4.081) 10.138 10.710 ( 0.765 10.545 -1.648) 10.700 10.838 ( -0.028 -5.435 -0.450) 5.453 11.010 ( 6.354 -5.329 -6.000) 10.236 11.079 ( 1.716 -5.509 -4.956) 7.606 11.185 ( 3.441 2.015 -8.583) 9.465 11.495 ( 1.771 2.899 9.518) 10.106 11.553 ( 4.994 -1.670 8.303) 9.832 11.600 ( -3.444 -14.433 7.865) 16.794 11.796 ( -9.676 -3.188 -1.479) 10.295 11.937 ( -5.318 -15.351 -2.380) 16.420 11.991 ( -2.931 -7.952 -1.653) 8.634 12.196 ( -1.117 -2.661 -4.921) 5.705 12.218 ( -0.656 -5.489 -5.305) 7.662 14.661 ( 3.394 -4.896 -1.465) 6.135 14.800 ( -0.096 -2.875 -6.374) 6.993 14.923 ( 3.609 -2.750 6.480) 7.911 15.142 ( -1.912 -5.710 -1.409) 6.184 15.330 ( -2.098 -15.153 3.409) 15.673 15.346 ( -3.139 -10.374 3.681) 11.446 15.468 ( 3.074 -14.665 -2.130) 15.134 15.514 ( 1.978 -11.163 -0.853) 11.369 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.493 10.434 1.467) 11.454 1.929 ( 3.203 9.013 0.706) 9.592 2.039 ( -1.950 7.374 -2.711) 8.095 2.112 ( -7.788 4.934 -1.728) 9.380 2.247 ( 3.462 4.600 0.443) 5.774 2.320 ( -3.408 4.643 -0.283) 5.766 2.408 ( 9.171 5.126 -5.458) 11.839 2.585 ( -5.129 -0.278 -3.203) 6.053 2.748 ( 3.636 8.287 -1.317) 9.145 2.781 ( 2.920 2.997 1.612) 4.484 2.858 ( -1.937 2.257 4.073) 5.043 2.879 ( 4.217 7.411 4.077) 9.451 3.053 ( -2.539 5.167 1.112) 5.864 3.186 ( 2.481 6.918 -1.697) 7.542 3.189 ( -9.074 4.627 3.074) 10.640 3.266 ( -3.495 10.171 4.575) 11.688 3.370 ( 4.883 10.635 -6.661) 13.466 3.451 ( 0.020 10.667 -0.514) 10.679 3.486 ( -3.797 13.769 -6.133) 15.544 3.561 ( -7.042 10.665 -3.997) 13.391 3.859 ( 3.763 6.547 7.276) 10.487 3.951 ( -4.366 5.464 8.295) 10.850 3.984 ( 10.286 -0.368 4.665) 11.300 4.158 ( -5.896 -2.211 4.433) 7.701 4.331 ( -0.385 -1.724 -2.499) 3.060 4.337 ( -0.586 -3.958 -2.282) 4.607 4.518 ( 4.561 23.008 2.967) 23.642 4.583 ( -0.503 12.985 -0.267) 12.997 4.710 ( -1.775 22.002 -0.040) 22.073 4.738 ( -2.634 14.795 -3.006) 15.325 4.885 ( 1.885 14.837 -10.103) 18.049 4.913 ( -0.966 16.497 -8.353) 18.516 5.144 ( 5.082 15.812 2.934) 16.866 5.218 ( -2.392 14.400 3.058) 14.914 5.367 ( 3.278 8.391 -4.078) 9.889 5.415 ( -1.688 7.686 -3.476) 8.603 5.523 ( 2.918 6.870 4.171) 8.551 5.572 ( -1.994 10.536 3.271) 11.211 5.613 ( 0.791 7.243 2.082) 7.578 5.663 ( -3.627 2.248 0.824) 4.346 6.861 ( 1.962 -2.969 5.622) 6.653 6.900 ( -1.994 -3.329 4.715) 6.106 7.201 ( 3.048 -3.789 -4.112) 6.368 7.217 ( 1.600 -5.462 -4.348) 7.162 7.584 ( 2.003 4.109 2.113) 5.036 7.689 ( -7.712 4.278 -0.677) 8.845 7.824 ( 6.898 1.720 -2.174) 7.434 7.921 ( -2.698 2.729 -4.632) 6.016 8.462 ( 10.447 -9.525 2.916) 14.435 8.565 ( 3.247 -7.004 0.496) 7.736 8.675 ( 2.844 -3.762 0.808) 4.785 8.745 ( -0.735 -1.457 0.051) 1.633 8.817 ( 1.938 -5.959 1.454) 6.433 8.855 ( -1.714 -5.353 2.182) 6.030 9.149 ( 11.572 5.686 1.348) 12.964 9.226 ( 6.478 3.109 2.457) 7.594 9.440 ( -5.189 -7.650 -0.735) 9.273 9.442 ( -5.417 -7.749 -2.724) 9.839 9.589 ( -6.918 4.899 -3.441) 9.149 9.677 ( -8.487 9.675 -5.761) 14.100 9.975 ( -1.707 2.682 7.678) 8.310 10.066 ( -10.249 1.693 3.140) 10.852 10.615 ( 5.290 2.746 0.696) 6.001 10.689 ( -2.778 4.595 -1.919) 5.702 10.919 ( 7.677 0.783 1.893) 7.946 11.057 ( -4.496 -4.693 -4.898) 8.138 11.162 ( 7.183 -3.367 -2.997) 8.480 11.233 ( 0.472 2.077 -6.159) 6.517 11.508 ( -0.876 -3.831 7.529) 8.493 11.527 ( -3.169 -5.769 4.897) 8.204 11.641 ( 2.809 -9.355 4.997) 10.972 11.680 ( -0.676 -1.735 4.237) 4.628 11.829 ( -3.060 -13.684 -2.249) 14.201 11.892 ( -6.541 -8.529 -1.314) 10.828 12.188 ( 0.272 -3.459 -5.205) 6.256 12.201 ( -0.944 -5.136 -5.441) 7.542 14.734 ( 3.775 -5.111 -3.153) 7.093 14.788 ( -1.615 -4.648 -5.023) 7.032 15.009 ( 5.076 -3.253 4.660) 7.620 15.095 ( -3.466 -5.295 1.707) 6.555 15.285 ( -1.538 -11.696 3.077) 12.191 15.294 ( -1.996 -13.591 2.346) 13.935 15.522 ( 2.262 -12.321 -1.399) 12.605 15.541 ( 0.394 -11.856 -1.250) 11.929 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 9.140 -0.849) 9.180 2.023 ( 0.000 6.238 -1.046) 6.326 2.209 ( 0.000 4.309 0.995) 4.423 2.228 ( 0.000 0.274 -2.841) 2.854 2.235 ( 0.000 1.756 0.178) 1.765 2.342 ( 0.000 -1.290 -1.118) 1.707 2.444 ( 0.000 2.769 -1.561) 3.178 2.476 ( 0.000 3.548 -4.074) 5.402 2.864 ( 0.000 5.953 11.266) 12.742 2.869 ( 0.000 7.430 -2.555) 7.857 3.001 ( 0.000 6.329 6.853) 9.328 3.052 ( 0.000 5.693 -5.791) 8.121 3.228 ( 0.000 0.514 5.079) 5.105 3.336 ( 0.000 2.813 7.018) 7.561 3.352 ( 0.000 3.332 -6.687) 7.471 3.467 ( 0.000 1.188 3.621) 3.811 3.510 ( 0.000 -0.530 -3.254) 3.297 3.666 ( 0.000 6.059 4.218) 7.382 3.703 ( 0.000 3.887 -5.186) 6.481 3.724 ( 0.000 -0.794 -5.270) 5.329 3.854 ( 0.000 6.929 -4.253) 8.130 3.891 ( 0.000 6.469 -1.899) 6.742 4.010 ( 0.000 -2.542 8.236) 8.619 4.220 ( 0.000 3.036 3.736) 4.814 4.285 ( 0.000 1.178 0.188) 1.193 4.353 ( 0.000 -6.518 -2.023) 6.825 4.566 ( 0.000 -5.173 -2.650) 5.813 4.648 ( 0.000 -2.589 -1.936) 3.233 5.044 ( 0.000 3.257 0.685) 3.329 5.070 ( 0.000 21.566 3.186) 21.800 5.097 ( 0.000 -0.228 1.739) 1.754 5.250 ( 0.000 18.820 -6.977) 20.072 5.325 ( 0.000 17.473 -4.791) 18.118 5.329 ( 0.000 14.407 -3.068) 14.730 5.605 ( 0.000 5.307 4.315) 6.840 5.624 ( 0.000 3.945 4.091) 5.683 5.738 ( 0.000 19.328 -0.085) 19.328 5.816 ( 0.000 14.874 -2.049) 15.014 5.891 ( 0.000 14.040 3.043) 14.366 5.933 ( 0.000 15.472 0.333) 15.475 6.842 ( 0.000 3.663 4.096) 5.495 6.915 ( 0.000 -0.691 2.872) 2.954 7.050 ( 0.000 0.287 -3.036) 3.050 7.089 ( 0.000 -4.150 -5.298) 6.730 7.643 ( 0.000 -0.596 2.596) 2.664 7.685 ( 0.000 0.890 0.608) 1.078 7.775 ( 0.000 -1.671 3.046) 3.474 7.887 ( 0.000 -2.193 -1.517) 2.667 8.244 ( 0.000 2.703 0.314) 2.721 8.408 ( 0.000 -2.316 -7.597) 7.942 8.411 ( 0.000 2.878 5.338) 6.064 8.613 ( 0.000 -5.637 0.414) 5.652 8.619 ( 0.000 -0.809 0.165) 0.826 8.750 ( 0.000 -3.901 -6.412) 7.505 8.965 ( 0.000 5.250 4.055) 6.634 9.130 ( 0.000 8.132 -2.751) 8.584 9.555 ( 0.000 -12.293 3.180) 12.698 9.770 ( 0.000 -5.109 4.451) 6.776 9.946 ( 0.000 -3.356 -4.007) 5.227 9.994 ( 0.000 -0.180 -11.706) 11.708 10.135 ( 0.000 -15.263 3.093) 15.573 10.154 ( 0.000 -8.400 1.256) 8.494 10.206 ( 0.000 9.777 13.801) 16.913 10.504 ( 0.000 -11.140 -4.945) 12.188 10.852 ( 0.000 -6.959 -1.917) 7.218 10.896 ( 0.000 2.109 0.035) 2.109 11.012 ( 0.000 -14.432 11.357) 18.365 11.220 ( 0.000 6.322 -1.905) 6.603 11.311 ( 0.000 -1.346 -2.289) 2.656 11.342 ( 0.000 -10.192 1.634) 10.322 11.605 ( 0.000 -11.717 1.355) 11.795 11.760 ( 0.000 10.192 1.643) 10.323 11.935 ( 0.000 -4.166 -6.804) 7.978 11.936 ( 0.000 0.202 -1.686) 1.699 12.082 ( 0.000 -3.238 1.310) 3.493 12.221 ( 0.000 -0.857 -4.470) 4.551 14.554 ( 0.000 -2.157 -1.130) 2.435 14.787 ( 0.000 -0.905 -11.079) 11.116 14.827 ( 0.000 -1.740 8.724) 8.896 15.021 ( 0.000 -11.383 1.215) 11.447 15.096 ( 0.000 -8.188 -2.115) 8.457 15.133 ( 0.000 -10.437 -3.179) 10.911 15.269 ( 0.000 -2.481 6.503) 6.961 15.367 ( 0.000 -3.149 1.477) 3.478 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 2.075 8.095 -1.264) 8.451 2.040 ( 1.942 6.788 -1.130) 7.150 2.189 ( -1.749 3.940 -1.862) 4.696 2.218 ( -1.170 0.420 -2.143) 2.477 2.252 ( 1.707 1.722 2.865) 3.754 2.377 ( 3.019 -0.059 1.232) 3.262 2.452 ( -1.992 3.758 -4.968) 6.540 2.495 ( 4.102 -0.705 -2.531) 4.871 2.808 ( -1.881 4.867 8.741) 10.180 2.902 ( 2.264 7.637 -2.903) 8.478 2.986 ( -1.034 5.699 6.634) 8.807 3.061 ( -4.772 7.961 -3.299) 9.851 3.198 ( 2.746 4.582 1.549) 5.562 3.301 ( -4.054 2.383 0.303) 4.712 3.322 ( -2.164 2.265 2.739) 4.162 3.445 ( 1.469 1.309 0.588) 2.054 3.514 ( -8.590 1.168 -1.513) 8.800 3.674 ( -3.042 5.664 1.705) 6.651 3.710 ( 7.756 -1.055 -5.376) 9.495 3.735 ( 3.193 4.998 1.272) 6.066 3.857 ( -1.951 9.599 -1.537) 9.916 3.907 ( 2.381 3.536 -2.527) 4.956 4.055 ( 4.019 -0.696 5.210) 6.616 4.173 ( -4.321 3.292 3.794) 6.626 4.271 ( -1.860 -1.187 -0.285) 2.224 4.311 ( -3.428 -4.815 -2.258) 6.327 4.585 ( 1.877 -5.717 -2.710) 6.599 4.672 ( 1.435 -4.512 -2.942) 5.575 5.017 ( -1.455 3.979 1.725) 4.574 5.047 ( -1.651 18.349 2.328) 18.570 5.122 ( 1.795 2.525 0.086) 3.099 5.229 ( -1.782 16.858 -5.288) 17.757 5.360 ( 3.917 15.227 -3.788) 16.172 5.387 ( 3.567 17.178 -2.730) 17.755 5.598 ( -0.279 5.459 4.580) 7.131 5.625 ( -0.161 5.295 2.931) 6.054 5.749 ( 1.150 19.401 -0.082) 19.435 5.815 ( -0.205 15.908 -1.870) 16.019 5.890 ( -0.126 14.595 2.749) 14.853 5.921 ( -1.182 15.386 0.746) 15.449 6.835 ( -0.535 2.163 3.961) 4.545 6.891 ( -2.109 -0.954 2.974) 3.769 7.078 ( 2.486 -1.556 -3.181) 4.327 7.106 ( 1.604 -3.294 -4.592) 5.875 7.653 ( 0.651 2.875 3.212) 4.360 7.719 ( 4.946 0.691 0.885) 5.072 7.846 ( 3.838 1.027 0.348) 3.988 7.919 ( 3.158 -1.129 -3.188) 4.627 8.202 ( -0.872 -0.600 2.791) 2.986 8.418 ( 0.465 -2.466 -6.847) 7.292 8.479 ( 4.932 -1.098 5.796) 7.689 8.629 ( 2.726 -5.840 0.854) 6.501 8.691 ( 4.627 -3.306 -0.777) 5.740 8.742 ( 0.379 -2.756 -2.882) 4.006 9.048 ( 8.099 5.271 1.681) 9.808 9.171 ( 4.471 6.891 -1.598) 8.368 9.406 ( -11.748 -12.439 0.766) 17.127 9.537 ( -17.260 -10.112 0.851) 20.022 9.833 ( -10.707 -0.780 -1.429) 10.830 9.971 ( -5.469 5.625 -8.350) 11.458 10.152 ( -0.556 4.160 8.367) 9.361 10.243 ( 3.814 -1.124 3.560) 5.337 10.346 ( 13.288 -9.282 2.552) 16.409 10.490 ( 0.316 -16.044 -4.061) 16.553 10.822 ( -4.908 -4.724 1.182) 6.914 10.860 ( 0.301 -9.214 -1.948) 9.423 10.976 ( -1.991 -9.160 8.302) 12.522 11.266 ( -4.152 -7.537 -4.137) 9.548 11.290 ( 5.363 2.008 2.519) 6.256 11.441 ( 7.435 -4.065 -0.386) 8.482 11.595 ( -0.034 -4.688 1.804) 5.023 11.742 ( -2.032 8.165 2.639) 8.818 11.857 ( -6.364 1.617 -1.562) 6.750 11.931 ( -3.151 -0.412 -2.591) 4.101 12.062 ( -0.383 -6.694 -1.626) 6.900 12.194 ( -2.627 -1.466 -5.217) 6.022 14.584 ( 2.784 -2.715 -2.131) 4.434 14.738 ( -2.291 -3.004 -5.147) 6.384 14.889 ( 2.845 -1.309 1.254) 3.373 15.001 ( -4.001 -7.320 -1.978) 8.573 15.035 ( 1.169 -12.354 3.435) 12.875 15.222 ( 0.643 -7.226 -1.454) 7.399 15.257 ( 2.563 -3.067 5.052) 6.442 15.376 ( 0.592 -3.809 1.058) 3.997 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 1.800 5.994 -1.286) 6.389 2.080 ( 1.240 6.608 -0.679) 6.758 2.162 ( -0.481 4.990 -3.311) 6.008 2.183 ( -2.159 2.690 -1.761) 3.872 2.301 ( 3.252 1.144 3.283) 4.760 2.368 ( -3.445 0.858 1.161) 3.735 2.481 ( 4.692 1.197 -2.046) 5.257 2.544 ( -0.265 -3.034 -2.344) 3.844 2.819 ( 0.963 2.100 4.952) 5.465 2.862 ( -4.928 4.291 0.022) 6.535 2.995 ( 6.517 9.507 1.021) 11.571 3.089 ( 5.055 11.822 -0.637) 12.873 3.166 ( -6.138 6.428 -3.091) 9.410 3.235 ( -6.878 4.193 0.335) 8.062 3.283 ( 1.277 1.114 3.484) 3.874 3.358 ( -5.398 0.036 5.561) 7.750 3.511 ( 4.665 2.925 -2.285) 5.961 3.597 ( -4.105 4.973 0.380) 6.459 3.748 ( 1.547 9.579 -4.665) 10.767 3.796 ( -3.347 8.482 -1.956) 9.326 3.931 ( 9.934 -0.744 2.949) 10.389 3.969 ( 4.590 4.106 1.192) 6.273 4.069 ( -4.925 5.650 2.245) 7.824 4.095 ( -3.886 0.584 5.645) 6.878 4.227 ( -0.230 -6.215 -2.584) 6.735 4.259 ( -2.260 -3.074 -1.861) 4.245 4.630 ( 2.667 -6.031 -3.743) 7.583 4.673 ( -1.418 -5.840 -4.241) 7.355 5.009 ( 0.414 6.531 2.223) 6.911 5.022 ( -0.899 11.489 2.175) 11.728 5.157 ( 1.863 8.510 -1.618) 8.860 5.193 ( -1.922 13.118 -3.413) 13.691 5.426 ( 2.301 14.968 -2.396) 15.332 5.436 ( 1.218 15.717 -1.879) 15.876 5.602 ( 0.642 6.829 3.319) 7.620 5.616 ( -0.717 6.839 2.408) 7.286 5.777 ( 1.631 19.409 -0.251) 19.479 5.804 ( -1.052 18.191 -1.112) 18.256 5.888 ( 0.045 15.389 2.077) 15.528 5.897 ( -0.997 15.173 1.465) 15.277 6.832 ( 0.402 0.021 3.832) 3.853 6.852 ( -1.697 -0.971 3.478) 3.990 7.122 ( 1.675 -3.874 -3.524) 5.499 7.132 ( 0.650 -3.507 -3.665) 5.115 7.700 ( 4.597 7.143 2.039) 8.736 7.808 ( -5.562 7.226 0.571) 9.137 7.846 ( 7.102 1.185 -2.215) 7.533 7.954 ( -2.511 1.288 -3.711) 4.662 8.295 ( 9.311 -6.230 3.786) 11.826 8.430 ( -1.994 -5.072 -0.470) 5.471 8.550 ( 5.324 -7.918 3.809) 10.274 8.675 ( -2.464 -6.547 3.019) 7.619 8.740 ( 2.678 -3.566 -2.794) 5.262 8.768 ( 0.820 -1.730 -0.358) 1.948 9.141 ( -4.067 -9.075 1.960) 10.136 9.209 ( -6.771 -7.380 0.748) 10.044 9.287 ( 7.535 -0.255 0.605) 7.563 9.434 ( 15.141 -0.018 -7.858) 17.059 9.568 ( -15.856 2.290 1.326) 16.075 9.763 ( -16.075 2.237 -8.093) 18.135 10.161 ( 1.718 11.744 6.589) 13.575 10.214 ( -3.757 11.219 5.331) 12.977 10.557 ( 7.329 -11.144 -2.243) 13.526 10.589 ( 6.165 -17.457 -3.543) 18.849 10.761 ( -0.539 -12.352 2.660) 12.647 10.827 ( -4.227 -14.303 1.493) 14.989 10.996 ( 4.653 -9.452 3.549) 11.117 11.133 ( -8.556 -13.591 -0.643) 16.073 11.412 ( 7.080 3.468 2.195) 8.184 11.533 ( -2.171 3.503 -2.960) 5.074 11.621 ( 3.882 4.255 2.922) 6.458 11.701 ( -1.113 0.085 0.561) 1.249 11.748 ( -2.401 4.726 3.138) 6.160 11.826 ( -6.712 0.193 0.437) 6.729 12.086 ( 2.312 -6.130 -4.976) 8.227 12.137 ( -3.015 -3.420 -5.754) 7.341 14.645 ( 3.400 -3.532 -4.141) 6.418 14.701 ( -2.232 -3.656 -5.519) 6.986 14.915 ( 0.745 -7.408 -0.204) 7.448 14.941 ( -2.152 -9.324 -1.140) 9.637 15.092 ( 3.933 -4.058 5.775) 8.080 15.167 ( -3.830 -1.720 5.678) 7.061 15.339 ( 3.454 -6.407 -0.791) 7.322 15.377 ( -0.728 -5.265 -0.055) 5.315 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.000 3.100 0.733) 3.185 2.146 ( 0.000 3.800 -2.564) 4.584 2.241 ( 0.000 0.742 -3.722) 3.795 2.244 ( 0.000 1.788 -1.911) 2.617 2.320 ( 0.000 -0.125 0.709) 0.720 2.322 ( 0.000 4.973 1.379) 5.161 2.458 ( 0.000 -1.480 -0.298) 1.510 2.483 ( 0.000 -1.888 -0.897) 2.091 2.992 ( 0.000 5.096 0.619) 5.133 2.994 ( 0.000 5.969 7.463) 9.556 3.094 ( 0.000 1.941 4.679) 5.065 3.105 ( 0.000 0.363 0.283) 0.460 3.291 ( 0.000 5.573 3.514) 6.588 3.356 ( 0.000 0.592 0.653) 0.881 3.397 ( 0.000 0.356 -5.285) 5.297 3.463 ( 0.000 -3.474 -4.754) 5.889 3.486 ( 0.000 1.763 -0.611) 1.866 3.593 ( 0.000 -6.766 -3.468) 7.603 3.731 ( 0.000 0.278 5.348) 5.356 3.753 ( 0.000 -0.964 1.963) 2.187 3.959 ( 0.000 3.167 -0.095) 3.169 4.003 ( 0.000 7.658 -4.433) 8.848 4.084 ( 0.000 6.634 1.141) 6.731 4.242 ( 0.000 -3.009 -4.024) 5.025 4.283 ( 0.000 -5.464 -1.983) 5.812 4.290 ( 0.000 1.020 -3.010) 3.178 4.487 ( 0.000 0.240 4.363) 4.370 4.547 ( 0.000 -4.161 1.837) 4.548 5.057 ( 0.000 -1.854 0.094) 1.857 5.061 ( 0.000 -0.235 -0.743) 0.779 5.386 ( 0.000 5.991 1.896) 6.284 5.452 ( 0.000 -0.152 -0.218) 0.266 5.558 ( 0.000 9.287 -0.880) 9.328 5.574 ( 0.000 11.611 -3.486) 12.124 5.752 ( 0.000 8.467 2.106) 8.725 5.759 ( 0.000 8.428 0.759) 8.463 6.045 ( 0.000 10.939 -0.115) 10.940 6.075 ( 0.000 9.370 -1.260) 9.455 6.149 ( 0.000 10.112 0.590) 10.129 6.181 ( 0.000 8.725 -0.568) 8.743 6.892 ( 0.000 1.803 1.405) 2.286 6.971 ( 0.000 5.230 3.113) 6.086 7.007 ( 0.000 -3.491 -3.355) 4.842 7.078 ( 0.000 1.024 -1.386) 1.724 7.619 ( 0.000 -1.284 0.668) 1.447 7.666 ( 0.000 -2.467 -1.867) 3.094 7.754 ( 0.000 -0.334 4.088) 4.101 7.829 ( 0.000 -3.328 1.261) 3.559 8.337 ( 0.000 4.998 -2.485) 5.581 8.368 ( 0.000 -0.357 -5.016) 5.028 8.485 ( 0.000 2.952 2.284) 3.733 8.600 ( 0.000 6.731 4.012) 7.836 8.660 ( 0.000 -1.445 -2.216) 2.645 8.739 ( 0.000 6.839 -3.249) 7.571 9.122 ( 0.000 10.338 4.472) 11.264 9.229 ( 0.000 -15.354 7.533) 17.103 9.318 ( 0.000 9.010 -3.987) 9.853 9.565 ( 0.000 -25.935 -3.755) 26.206 9.619 ( 0.000 -9.603 5.126) 10.886 9.828 ( 0.000 -9.529 -4.503) 10.540 10.030 ( 0.000 -3.707 -0.203) 3.713 10.094 ( 0.000 -1.749 -7.439) 7.642 10.363 ( 0.000 -5.525 2.892) 6.236 10.434 ( 0.000 11.008 11.271) 15.754 10.638 ( 0.000 -13.149 -6.885) 14.843 10.709 ( 0.000 -5.323 11.749) 12.899 10.928 ( 0.000 -3.131 -2.211) 3.833 11.045 ( 0.000 -11.396 -0.152) 11.397 11.360 ( 0.000 3.044 -1.626) 3.450 11.377 ( 0.000 3.571 -1.727) 3.967 11.534 ( 0.000 2.659 4.281) 5.040 11.790 ( 0.000 -7.969 -5.700) 9.798 11.915 ( 0.000 5.074 0.780) 5.134 11.962 ( 0.000 1.647 -0.713) 1.795 12.088 ( 0.000 1.719 1.013) 1.996 12.181 ( 0.000 -2.878 -2.888) 4.077 14.544 ( 0.000 1.181 -2.614) 2.868 14.726 ( 0.000 -6.273 -7.543) 9.811 14.820 ( 0.000 0.695 6.884) 6.919 14.852 ( 0.000 -3.238 -2.901) 4.348 14.979 ( 0.000 -5.022 -5.694) 7.592 14.985 ( 0.000 -3.888 -0.753) 3.960 15.266 ( 0.000 1.236 7.341) 7.445 15.328 ( 0.000 -1.437 3.672) 3.944 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 1.547 3.129 0.440) 3.519 2.168 ( 2.078 3.466 -2.487) 4.745 2.220 ( -1.869 1.466 -2.069) 3.150 2.246 ( 0.256 1.620 -3.285) 3.672 2.312 ( -0.487 3.562 1.446) 3.876 2.360 ( 3.085 -0.292 1.372) 3.389 2.463 ( -0.639 -2.134 -1.240) 2.549 2.472 ( -0.271 -1.921 -2.052) 2.824 2.916 ( -2.795 6.282 6.725) 9.618 3.033 ( -1.757 3.852 1.650) 4.544 3.071 ( 1.234 4.127 4.277) 6.070 3.175 ( 2.928 0.776 1.020) 3.197 3.281 ( -4.442 0.988 -1.216) 4.711 3.292 ( 1.403 0.651 3.784) 4.088 3.408 ( 1.754 0.909 -2.418) 3.122 3.422 ( -1.410 3.997 1.329) 4.442 3.529 ( -5.826 0.758 -2.154) 6.257 3.626 ( 6.742 -4.137 -5.147) 9.438 3.700 ( 0.526 -2.716 2.557) 3.767 3.826 ( 5.516 1.591 0.288) 5.748 3.975 ( -0.695 2.667 -2.532) 3.742 3.994 ( -0.955 6.117 -3.398) 7.062 4.099 ( 3.171 4.592 2.376) 6.065 4.212 ( -3.895 -0.705 -2.152) 4.505 4.251 ( -2.763 0.545 -2.351) 3.669 4.294 ( 0.407 -2.716 -2.797) 3.920 4.468 ( -1.616 -2.357 4.222) 5.098 4.538 ( -1.087 -5.923 1.134) 6.127 5.061 ( 1.178 1.022 0.300) 1.588 5.096 ( 2.771 -0.803 -1.256) 3.147 5.314 ( -4.763 5.785 1.908) 7.733 5.398 ( -4.534 0.284 -0.774) 4.608 5.612 ( 4.879 10.982 -0.715) 12.039 5.662 ( 5.511 8.836 -2.011) 10.606 5.744 ( -0.285 8.982 2.084) 9.225 5.777 ( 1.046 8.084 0.045) 8.151 6.058 ( 1.298 11.001 0.076) 11.078 6.087 ( 1.191 9.724 -1.149) 9.863 6.151 ( 0.107 10.026 0.428) 10.036 6.171 ( -1.062 9.011 -0.165) 9.074 6.877 ( -1.292 2.341 1.409) 3.022 6.926 ( -3.316 3.662 1.789) 5.254 7.026 ( 1.142 -3.461 -1.938) 4.128 7.070 ( -0.685 -1.421 -1.411) 2.116 7.706 ( 7.075 2.561 1.851) 7.749 7.726 ( 6.439 0.494 0.153) 6.460 7.836 ( 8.450 -1.756 1.384) 8.741 7.894 ( 6.319 -2.113 -0.484) 6.681 8.253 ( -5.226 4.475 -0.516) 6.900 8.370 ( -2.732 -0.567 -5.970) 6.590 8.499 ( -0.039 1.682 2.265) 2.822 8.597 ( 0.002 3.125 2.035) 3.729 8.653 ( -1.174 -1.725 1.048) 2.335 8.727 ( 0.160 2.336 -1.207) 2.634 9.086 ( -9.706 -12.747 4.896) 16.753 9.216 ( 2.673 5.847 2.834) 7.026 9.260 ( -11.662 -11.058 0.338) 16.074 9.367 ( 1.725 8.290 -3.964) 9.349 9.819 ( -0.134 -3.454 -1.740) 3.870 9.890 ( 10.468 -17.546 -1.609) 20.494 9.993 ( -1.758 -4.999 -3.755) 6.495 10.108 ( 1.521 -4.693 -5.092) 7.090 10.361 ( -0.314 -8.005 3.365) 8.690 10.443 ( 0.961 10.501 9.768) 14.374 10.621 ( -2.282 -13.044 -7.023) 14.989 10.627 ( -7.132 -1.853 9.865) 12.313 10.871 ( -2.475 -5.160 2.743) 6.346 11.005 ( -5.441 -12.117 0.340) 13.287 11.392 ( 5.328 5.412 0.387) 7.604 11.483 ( 7.365 2.483 -3.370) 8.471 11.589 ( 5.412 2.747 3.111) 6.820 11.811 ( 0.533 -4.622 -5.762) 7.406 11.884 ( -2.382 2.957 1.479) 4.076 11.931 ( -2.997 1.371 -0.132) 3.298 12.012 ( -6.808 1.358 1.445) 7.091 12.144 ( -3.739 -3.399 -3.910) 6.389 14.559 ( 1.631 0.409 -3.344) 3.743 14.681 ( -2.239 -3.379 -5.447) 6.790 14.817 ( -2.964 -5.362 -1.339) 6.271 14.838 ( -2.856 -4.762 -0.687) 5.595 14.967 ( 5.547 1.428 1.212) 5.854 15.097 ( 6.072 -4.781 -2.613) 8.158 15.256 ( -1.034 1.292 7.164) 7.353 15.326 ( -0.437 -1.847 3.219) 3.737 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 1.554 3.321 -1.014) 3.805 2.184 ( -1.343 3.619 -1.902) 4.304 2.215 ( 2.147 1.276 -1.938) 3.161 2.245 ( -0.739 1.951 -2.803) 3.494 2.320 ( 1.833 1.931 1.486) 3.049 2.375 ( -2.777 0.358 1.322) 3.097 2.455 ( 1.695 -2.920 -2.046) 3.948 2.478 ( -0.213 -3.661 -1.928) 4.144 2.900 ( 1.017 5.821 5.951) 8.386 2.953 ( -4.409 5.078 3.583) 7.620 3.153 ( 6.021 3.995 2.685) 7.708 3.196 ( -0.094 -5.030 6.110) 7.915 3.223 ( -1.422 -0.399 2.937) 3.288 3.285 ( -3.289 5.535 -1.976) 6.735 3.408 ( -2.352 6.675 -2.161) 7.400 3.418 ( -1.286 7.939 -4.389) 9.162 3.504 ( 6.222 1.028 3.444) 7.186 3.608 ( -4.006 -2.409 2.177) 5.156 3.835 ( 7.874 -3.654 -6.180) 10.656 3.918 ( 1.452 7.742 -1.632) 8.044 3.941 ( -0.377 -4.143 -6.346) 7.588 3.968 ( -1.539 1.022 -0.961) 2.082 4.127 ( -1.875 0.903 -2.987) 3.641 4.169 ( -4.891 2.071 -1.556) 5.535 4.199 ( 4.640 4.816 3.757) 7.670 4.279 ( -2.876 3.659 1.404) 4.861 4.459 ( 1.417 -8.895 1.538) 9.138 4.503 ( -2.480 -8.657 0.256) 9.009 5.102 ( 2.843 3.912 -0.117) 4.837 5.140 ( 0.298 3.300 -2.220) 3.989 5.256 ( -0.057 1.368 2.785) 3.103 5.311 ( -4.375 -0.262 0.221) 4.389 5.690 ( 2.991 10.824 0.379) 11.236 5.723 ( -0.286 11.188 0.130) 11.192 5.759 ( 2.455 7.353 -0.534) 7.771 5.787 ( -0.274 7.929 -1.093) 8.008 6.089 ( 1.810 11.183 0.250) 11.332 6.109 ( 0.460 10.921 -0.765) 10.957 6.146 ( -0.783 9.083 0.481) 9.130 6.149 ( -0.622 9.566 0.241) 9.590 6.859 ( -0.243 2.853 1.558) 3.260 6.874 ( -1.823 3.016 1.703) 3.914 7.044 ( 0.799 -4.476 -1.585) 4.815 7.057 ( -0.618 -4.244 -1.390) 4.509 7.844 ( 7.301 7.147 0.929) 10.259 7.876 ( 7.452 3.247 0.274) 8.133 7.972 ( -0.234 6.980 -1.516) 7.146 8.001 ( 2.209 2.588 -2.074) 3.985 8.226 ( 5.656 -0.540 2.533) 6.221 8.329 ( 1.341 -6.260 -2.621) 6.918 8.443 ( -4.520 -1.301 5.121) 6.953 8.548 ( -8.583 -5.594 5.637) 11.694 8.648 ( 3.281 -3.860 -2.290) 5.560 8.725 ( -2.125 -2.981 -1.267) 3.873 8.932 ( -3.780 -11.987 0.796) 12.594 8.975 ( -9.767 -12.993 -0.076) 16.255 9.374 ( 7.496 8.589 -0.074) 11.400 9.438 ( 2.356 6.328 -3.217) 7.480 9.754 ( -0.944 11.601 -1.305) 11.712 9.865 ( -9.741 6.967 -7.312) 14.032 10.098 ( 8.711 -20.466 1.082) 22.269 10.182 ( 1.707 -19.231 -0.844) 19.325 10.372 ( 3.739 -8.958 1.320) 9.797 10.473 ( 2.227 8.114 5.319) 9.955 10.499 ( -6.518 -3.700 4.866) 8.936 10.543 ( -5.206 -8.577 -2.968) 10.463 10.855 ( 0.704 -6.749 4.606) 8.201 10.901 ( -4.238 -9.127 3.339) 10.603 11.522 ( 7.993 5.804 1.363) 9.971 11.619 ( 4.632 3.320 -3.058) 6.468 11.706 ( 4.726 1.925 0.509) 5.129 11.725 ( -4.702 3.321 1.192) 5.878 11.835 ( -6.776 0.594 1.887) 7.059 11.845 ( -4.290 4.382 0.119) 6.133 11.961 ( 3.731 -5.819 -3.135) 7.590 12.055 ( -5.217 -4.735 -4.794) 8.522 14.605 ( 2.970 -0.429 -4.394) 5.321 14.653 ( -1.539 -1.151 -5.332) 5.668 14.761 ( -1.740 -6.897 -2.183) 7.441 14.776 ( -2.690 -6.284 -2.285) 7.207 15.092 ( 6.209 2.313 4.364) 7.934 15.170 ( -0.611 1.017 2.989) 3.216 15.248 ( 1.948 -2.963 2.744) 4.484 15.301 ( -2.306 -3.015 1.914) 4.251 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 -1.449 -0.080) 1.451 2.156 ( 0.000 1.449 -0.080) 1.451 2.257 ( 0.000 -0.685 -3.901) 3.960 2.257 ( 0.000 0.685 -3.901) 3.960 2.372 ( 0.000 -3.032 0.672) 3.106 2.372 ( 0.000 3.032 0.672) 3.106 2.430 ( 0.000 -2.230 0.478) 2.281 2.430 ( 0.000 2.230 0.478) 2.281 3.056 ( 0.000 -0.620 3.212) 3.271 3.056 ( 0.000 0.620 3.212) 3.271 3.104 ( 0.000 -0.281 3.951) 3.961 3.104 ( 0.000 0.281 3.951) 3.961 3.362 ( 0.000 -0.626 0.065) 0.630 3.362 ( 0.000 0.626 0.065) 0.630 3.405 ( 0.000 -1.549 -5.821) 6.024 3.405 ( 0.000 1.549 -5.821) 6.024 3.522 ( 0.000 -1.234 -0.156) 1.244 3.522 ( 0.000 1.234 -0.156) 1.244 3.714 ( 0.000 -0.468 4.272) 4.298 3.714 ( 0.000 0.468 4.272) 4.298 4.091 ( 0.000 -7.936 -2.258) 8.251 4.091 ( 0.000 7.936 -2.258) 8.251 4.142 ( 0.000 -1.963 -2.187) 2.939 4.142 ( 0.000 1.963 -2.187) 2.939 4.246 ( 0.000 -1.880 -4.475) 4.854 4.246 ( 0.000 1.880 -4.475) 4.854 4.514 ( 0.000 -0.882 4.529) 4.614 4.514 ( 0.000 0.882 4.529) 4.614 5.047 ( 0.000 -0.662 0.100) 0.670 5.047 ( 0.000 0.662 0.100) 0.670 5.428 ( 0.000 -1.249 0.448) 1.327 5.428 ( 0.000 1.249 0.448) 1.327 5.680 ( 0.000 -1.010 -1.067) 1.469 5.680 ( 0.000 1.010 -1.067) 1.469 5.850 ( 0.000 -0.286 0.189) 0.343 5.850 ( 0.000 0.286 0.189) 0.343 6.162 ( 0.000 -0.757 -0.433) 0.873 6.162 ( 0.000 0.757 -0.433) 0.873 6.261 ( 0.000 -0.872 -0.720) 1.131 6.261 ( 0.000 0.873 -0.720) 1.131 6.943 ( 0.000 -3.038 0.092) 3.040 6.943 ( 0.000 3.038 0.092) 3.040 7.060 ( 0.000 -3.043 0.329) 3.060 7.060 ( 0.000 3.043 0.329) 3.060 7.619 ( 0.000 -1.493 -2.235) 2.688 7.619 ( 0.000 1.493 -2.235) 2.688 7.770 ( 0.000 -2.138 3.721) 4.291 7.770 ( 0.000 2.138 3.721) 4.291 8.380 ( 0.000 -0.386 -2.912) 2.938 8.380 ( 0.000 0.387 -2.912) 2.938 8.577 ( 0.000 -5.705 -2.677) 6.301 8.577 ( 0.000 5.705 -2.677) 6.301 8.799 ( 0.000 -9.068 2.936) 9.531 8.799 ( 0.000 9.068 2.936) 9.531 9.131 ( 0.000 -14.035 3.935) 14.577 9.131 ( 0.000 14.035 3.935) 14.577 9.349 ( 0.000 -10.989 3.038) 11.401 9.349 ( 0.000 10.989 3.038) 11.401 9.598 ( 0.000 -11.824 -2.377) 12.061 9.598 ( 0.000 11.824 -2.377) 12.061 10.020 ( 0.000 -2.806 -0.752) 2.905 10.020 ( 0.000 2.806 -0.752) 2.905 10.376 ( 0.000 -7.569 -4.602) 8.859 10.376 ( 0.000 7.569 -4.602) 8.859 10.653 ( 0.000 -6.029 7.717) 9.793 10.653 ( 0.000 6.029 7.717) 9.793 10.894 ( 0.000 -3.049 -0.045) 3.049 10.894 ( 0.000 3.049 -0.045) 3.049 11.398 ( 0.000 -0.655 -0.418) 0.777 11.398 ( 0.000 0.655 -0.418) 0.777 11.642 ( 0.000 -6.814 -1.449) 6.967 11.642 ( 0.000 6.814 -1.449) 6.967 11.975 ( 0.000 -0.920 -0.008) 0.920 11.975 ( 0.000 0.920 -0.008) 0.920 12.126 ( 0.000 -2.297 -0.731) 2.411 12.126 ( 0.000 2.297 -0.731) 2.411 14.604 ( 0.000 -4.864 -4.026) 6.314 14.604 ( 0.000 4.864 -4.026) 6.314 14.833 ( 0.000 -0.276 -0.946) 0.986 14.833 ( 0.000 0.276 -0.946) 0.986 14.936 ( 0.000 -0.665 -2.050) 2.155 14.936 ( 0.000 0.665 -2.050) 2.155 15.298 ( 0.000 -1.662 5.698) 5.935 15.298 ( 0.000 1.662 5.698) 5.935 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.431 -1.473 0.046) 2.055 2.171 ( 1.431 1.473 0.046) 2.055 2.256 ( -0.190 -1.054 -3.543) 3.702 2.256 ( -0.190 1.054 -3.543) 3.702 2.373 ( 0.318 -2.063 -0.145) 2.093 2.373 ( 0.318 2.063 -0.145) 2.093 2.424 ( -0.662 -1.233 -0.091) 1.402 2.424 ( -0.662 1.233 -0.091) 1.402 3.033 ( -1.589 -4.292 4.439) 6.375 3.033 ( -1.589 4.292 4.439) 6.375 3.134 ( 1.610 -1.955 4.670) 5.312 3.134 ( 1.610 1.955 4.670) 5.312 3.285 ( -3.253 -0.192 0.901) 3.381 3.285 ( -3.253 0.192 0.901) 3.381 3.455 ( 1.050 -4.853 -4.286) 6.559 3.455 ( 1.050 4.853 -4.286) 6.559 3.565 ( 4.723 -5.900 -1.519) 7.708 3.565 ( 4.723 5.900 -1.519) 7.708 3.729 ( 1.136 -7.622 0.631) 7.732 3.729 ( 1.136 7.622 0.631) 7.732 4.089 ( -1.431 -6.039 -1.895) 6.489 4.089 ( -1.431 6.039 -1.895) 6.489 4.149 ( 1.173 -5.278 -2.211) 5.841 4.149 ( 1.173 5.278 -2.211) 5.841 4.231 ( -0.650 -1.353 -3.302) 3.627 4.231 ( -0.650 1.353 -3.302) 3.627 4.480 ( -3.492 -1.303 4.617) 5.933 4.480 ( -3.492 1.303 4.617) 5.933 5.079 ( 3.346 -1.023 0.222) 3.506 5.079 ( 3.346 1.023 0.222) 3.506 5.372 ( -4.753 -1.732 0.102) 5.059 5.372 ( -4.753 1.732 0.102) 5.059 5.740 ( 4.798 -1.307 -0.660) 5.016 5.740 ( 4.798 1.307 -0.660) 5.016 5.855 ( 0.416 -0.978 -0.043) 1.063 5.855 ( 0.416 0.978 -0.043) 1.063 6.177 ( 1.437 -0.818 -0.335) 1.687 6.177 ( 1.437 0.818 -0.335) 1.687 6.258 ( -0.398 -0.492 -0.558) 0.844 6.258 ( -0.398 0.492 -0.558) 0.844 6.940 ( -0.166 -3.478 0.090) 3.483 6.940 ( -0.166 3.478 0.090) 3.483 7.016 ( -3.443 -3.531 0.261) 4.938 7.016 ( -3.443 3.531 0.261) 4.938 7.743 ( 11.604 -0.744 -0.986) 11.669 7.743 ( 11.604 0.744 -0.986) 11.669 7.828 ( 5.941 -2.846 2.198) 6.944 7.828 ( 5.941 2.846 2.198) 6.944 8.345 ( -3.866 -3.920 -3.726) 6.648 8.345 ( -3.866 3.920 -3.726) 6.648 8.559 ( -2.076 -5.280 -0.552) 5.700 8.559 ( -2.076 5.280 -0.552) 5.700 8.756 ( -3.727 -8.405 3.139) 9.716 8.756 ( -3.727 8.405 3.139) 9.716 8.959 ( -13.159 -10.062 3.951) 17.029 8.959 ( -13.159 10.062 3.951) 17.029 9.483 ( 9.832 -14.168 0.128) 17.246 9.483 ( 9.832 14.168 0.128) 17.246 9.642 ( 3.630 -12.868 -2.457) 13.594 9.642 ( 3.630 12.868 -2.457) 13.594 10.021 ( 0.411 -7.112 -0.500) 7.142 10.021 ( 0.411 7.112 -0.500) 7.142 10.332 ( -4.829 -9.054 -3.749) 10.924 10.332 ( -4.829 9.054 -3.749) 10.925 10.659 ( 0.619 -5.465 6.974) 8.882 10.659 ( 0.619 5.465 6.974) 8.882 10.817 ( -5.990 -5.426 1.832) 8.287 10.817 ( -5.990 5.426 1.832) 8.287 11.475 ( 6.572 -2.680 -0.681) 7.130 11.475 ( 6.572 2.680 -0.681) 7.130 11.688 ( 4.578 -6.227 -2.087) 8.005 11.688 ( 4.578 6.227 -2.087) 8.005 11.934 ( -4.391 -1.450 1.257) 4.792 11.934 ( -4.391 1.451 1.257) 4.792 12.069 ( -5.243 -3.798 -1.593) 6.667 12.069 ( -5.242 3.798 -1.593) 6.667 14.601 ( 0.228 -3.660 -4.494) 5.800 14.601 ( 0.228 3.660 -4.494) 5.800 14.780 ( -4.162 -1.085 -1.838) 4.678 14.780 ( -4.162 1.085 -1.838) 4.678 15.019 ( 6.730 -3.360 -0.383) 7.532 15.019 ( 6.730 3.360 -0.383) 7.532 15.290 ( -1.058 -1.867 5.316) 5.733 15.290 ( -1.058 1.867 5.316) 5.733 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 2.091 -1.237 -0.710) 2.531 2.206 ( 2.091 1.237 -0.710) 2.531 2.242 ( -1.451 -1.393 -2.290) 3.048 2.242 ( -1.451 1.393 -2.290) 3.048 2.387 ( 0.966 -2.958 -1.137) 3.313 2.387 ( 0.966 2.958 -1.137) 3.313 2.406 ( -1.081 -1.965 -0.763) 2.369 2.406 ( -1.081 1.965 -0.763) 2.369 3.027 ( 1.451 -4.558 5.931) 7.619 3.027 ( 1.451 4.558 5.931) 7.619 3.089 ( -4.546 -3.673 5.678) 8.148 3.089 ( -4.546 3.673 5.678) 8.148 3.327 ( 5.790 -6.540 1.068) 8.800 3.327 ( 5.790 6.540 1.068) 8.800 3.426 ( -3.761 -5.964 -0.920) 7.110 3.426 ( -3.761 5.964 -0.920) 7.110 3.670 ( 5.129 -10.352 -3.773) 12.153 3.670 ( 5.129 10.352 -3.773) 12.153 3.734 ( -1.304 -12.151 -3.228) 12.640 3.734 ( -1.303 12.151 -3.228) 12.640 4.068 ( 0.596 -4.281 -3.223) 5.392 4.068 ( 0.596 4.281 -3.223) 5.392 4.119 ( -3.691 -5.195 -5.127) 8.179 4.119 ( -3.691 5.195 -5.127) 8.179 4.284 ( 5.352 -3.381 2.529) 6.817 4.284 ( 5.352 3.381 2.529) 6.817 4.391 ( -5.513 -2.496 4.254) 7.397 4.391 ( -5.513 2.496 4.254) 7.397 5.165 ( 5.412 -1.639 0.284) 5.662 5.165 ( 5.412 1.639 0.284) 5.662 5.272 ( -5.589 -1.978 0.119) 5.930 5.272 ( -5.589 1.978 0.119) 5.930 5.820 ( 3.161 -1.710 -0.486) 3.627 5.820 ( 3.161 1.710 -0.486) 3.627 5.855 ( -0.682 -1.572 -0.389) 1.757 5.855 ( -0.682 1.572 -0.389) 1.757 6.210 ( 1.904 -0.795 -0.165) 2.070 6.210 ( 1.904 0.795 -0.165) 2.070 6.242 ( -1.314 -0.366 -0.235) 1.384 6.242 ( -1.314 0.366 -0.235) 1.384 6.941 ( 0.425 -3.989 0.188) 4.016 6.941 ( 0.425 3.989 0.188) 4.016 6.962 ( -1.948 -3.978 0.292) 4.439 6.962 ( -1.948 3.978 0.292) 4.439 7.960 ( 8.284 -2.254 -0.661) 8.610 7.960 ( 8.284 2.254 -0.661) 8.610 7.995 ( 9.147 -3.048 -0.541) 9.656 7.995 ( 9.147 3.048 -0.541) 9.656 8.267 ( -0.654 -2.229 -1.227) 2.627 8.267 ( -0.654 2.229 -1.227) 2.628 8.441 ( -11.984 -3.150 4.143) 13.066 8.441 ( -11.984 3.150 4.143) 13.066 8.702 ( -0.465 -8.864 1.322) 8.974 8.702 ( -0.465 8.864 1.322) 8.974 8.754 ( -6.353 -7.377 0.257) 9.739 8.754 ( -6.353 7.377 0.257) 9.739 9.648 ( 6.201 -16.455 -1.702) 17.667 9.648 ( 6.201 16.455 -1.702) 17.667 9.696 ( 0.962 -15.582 -3.091) 15.915 9.696 ( 0.962 15.583 -3.091) 15.915 10.060 ( 4.658 -11.092 -0.073) 12.031 10.060 ( 4.658 11.092 -0.073) 12.031 10.198 ( -8.538 -11.386 -1.291) 14.290 10.198 ( -8.538 11.386 -1.291) 14.290 10.678 ( 1.553 -5.336 5.031) 7.496 10.678 ( 1.553 5.336 5.031) 7.496 10.724 ( -3.476 -5.677 3.432) 7.489 10.724 ( -3.476 5.677 3.432) 7.489 11.615 ( 8.033 -3.169 0.465) 8.648 11.615 ( 8.033 3.169 0.465) 8.648 11.752 ( -3.107 -1.934 -1.668) 4.022 11.752 ( -3.107 1.935 -1.668) 4.022 11.855 ( 1.410 -2.810 1.017) 3.304 11.855 ( 1.410 2.810 1.017) 3.304 11.956 ( -6.252 -4.912 -2.529) 8.344 11.956 ( -6.252 4.912 -2.529) 8.344 14.627 ( 2.632 -2.234 -4.413) 5.603 14.627 ( 2.632 2.234 -4.413) 5.603 14.696 ( -4.367 -1.307 -3.242) 5.594 14.696 ( -4.367 1.307 -3.242) 5.594 15.150 ( 6.428 -2.919 2.050) 7.352 15.150 ( 6.428 2.919 2.050) 7.352 15.247 ( -3.647 -2.298 4.089) 5.942 15.247 ( -3.647 2.298 4.089) 5.942 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 0.000 -23.216) 23.216 1.032 ( 0.000 0.000 23.216) 23.216 1.036 ( 0.000 0.000 -21.005) 21.005 1.036 ( 0.000 0.000 21.005) 21.005 1.749 ( 0.000 0.000 -3.474) 3.474 1.749 ( 0.000 0.000 3.474) 3.474 1.891 ( 0.000 0.000 -29.819) 29.819 1.891 ( 0.000 0.000 29.819) 29.819 2.052 ( 0.000 0.000 -2.873) 2.873 2.052 ( 0.000 0.000 2.873) 2.873 2.211 ( 0.000 0.000 -7.418) 7.418 2.211 ( 0.000 0.000 7.418) 7.418 2.298 ( 0.000 0.000 -2.467) 2.467 2.298 ( 0.000 0.000 2.467) 2.467 2.357 ( 0.000 0.000 -12.952) 12.952 2.357 ( 0.000 0.000 12.952) 12.952 2.483 ( 0.000 0.000 -13.607) 13.607 2.483 ( 0.000 0.000 13.607) 13.607 2.490 ( 0.000 0.000 -5.035) 5.035 2.490 ( 0.000 0.000 5.035) 5.035 2.938 ( 0.000 0.000 -3.975) 3.975 2.938 ( 0.000 0.000 3.975) 3.975 3.343 ( 0.000 0.000 -6.307) 6.307 3.343 ( 0.000 0.000 6.307) 6.307 3.569 ( 0.000 0.000 -17.894) 17.894 3.569 ( 0.000 0.000 17.894) 17.894 4.048 ( 0.000 0.000 -6.317) 6.317 4.048 ( 0.000 0.000 6.317) 6.317 4.446 ( 0.000 0.000 -4.691) 4.691 4.446 ( 0.000 0.000 4.691) 4.691 4.856 ( 0.000 0.000 -1.116) 1.116 4.856 ( 0.000 0.000 1.116) 1.116 4.921 ( 0.000 0.000 -3.933) 3.933 4.921 ( 0.000 0.000 3.933) 3.933 5.235 ( 0.000 0.000 -3.386) 3.386 5.235 ( 0.000 0.000 3.386) 3.386 5.362 ( 0.000 0.000 -3.009) 3.009 5.362 ( 0.000 0.000 3.009) 3.009 6.115 ( 0.000 0.000 -5.781) 5.781 6.115 ( 0.000 0.000 5.781) 5.781 6.934 ( 0.000 0.000 -8.256) 8.256 6.934 ( 0.000 0.000 8.256) 8.256 7.182 ( 0.000 0.000 -10.104) 10.104 7.182 ( 0.000 0.000 10.104) 10.104 7.304 ( 0.000 0.000 -6.854) 6.854 7.304 ( 0.000 0.000 6.854) 6.854 7.503 ( 0.000 0.000 -0.662) 0.662 7.503 ( 0.000 0.000 0.662) 0.662 7.896 ( 0.000 0.000 -4.015) 4.015 7.896 ( 0.000 0.000 4.015) 4.015 8.261 ( 0.000 0.000 -1.960) 1.960 8.261 ( 0.000 0.000 1.960) 1.960 8.427 ( 0.000 0.000 -10.565) 10.565 8.427 ( 0.000 0.000 10.565) 10.565 9.331 ( 0.000 0.000 -14.792) 14.792 9.331 ( 0.000 0.000 14.792) 14.792 9.522 ( 0.000 0.000 -2.402) 2.402 9.522 ( 0.000 0.000 2.402) 2.402 9.646 ( 0.000 0.000 -8.506) 8.506 9.646 ( 0.000 0.000 8.506) 8.506 9.991 ( 0.000 0.000 -0.922) 0.922 9.991 ( 0.000 0.000 0.922) 0.922 10.242 ( 0.000 0.000 -1.728) 1.728 10.242 ( 0.000 0.000 1.728) 1.728 11.197 ( 0.000 0.000 -10.404) 10.404 11.197 ( 0.000 0.000 10.404) 10.404 11.551 ( 0.000 0.000 -0.417) 0.417 11.551 ( 0.000 0.000 0.417) 0.417 11.585 ( 0.000 0.000 -0.370) 0.370 11.585 ( 0.000 0.000 0.370) 0.370 11.734 ( 0.000 0.000 -1.361) 1.361 11.734 ( 0.000 0.000 1.361) 1.361 12.682 ( 0.000 0.000 -1.302) 1.302 12.682 ( 0.000 0.000 1.302) 1.302 12.939 ( 0.000 0.000 -1.375) 1.375 12.939 ( 0.000 0.000 1.375) 1.375 14.699 ( 0.000 0.000 -3.006) 3.006 14.699 ( 0.000 0.000 3.006) 3.006 15.199 ( 0.000 0.000 -3.170) 3.170 15.199 ( 0.000 0.000 3.170) 3.170 16.299 ( 0.000 0.000 -6.107) 6.107 16.299 ( 0.000 0.000 6.107) 6.107 16.706 ( 0.000 0.000 -5.077) 5.077 16.706 ( 0.000 0.000 5.077) 5.077 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 8.858 0.000 -18.156) 20.202 1.126 ( 8.858 0.000 18.156) 20.202 1.165 ( 12.392 0.000 -20.107) 23.619 1.165 ( 12.392 0.000 20.107) 23.619 1.713 ( -4.287 0.000 -2.625) 5.027 1.713 ( -4.287 0.000 2.625) 5.027 1.965 ( 2.988 0.000 -19.224) 19.454 1.965 ( 2.988 0.000 19.224) 19.454 2.011 ( -3.775 0.000 -2.687) 4.634 2.011 ( -3.775 0.000 2.687) 4.634 2.114 ( -6.390 0.000 -23.902) 24.741 2.114 ( -6.390 0.000 23.902) 24.741 2.178 ( -1.992 0.000 -4.902) 5.291 2.178 ( -1.992 0.000 4.902) 5.291 2.554 ( 5.105 0.000 -3.758) 6.339 2.554 ( 5.105 0.000 3.758) 6.339 2.554 ( 13.598 0.000 -5.223) 14.567 2.554 ( 13.598 0.000 5.223) 14.567 2.616 ( 11.989 0.000 -14.477) 18.796 2.616 ( 11.989 0.000 14.477) 18.796 2.925 ( -1.332 0.000 -3.574) 3.814 2.925 ( -1.332 0.000 3.574) 3.814 3.306 ( -3.458 0.000 -4.764) 5.887 3.306 ( -3.458 0.000 4.764) 5.887 3.538 ( -4.342 0.000 -13.148) 13.847 3.538 ( -4.342 0.000 13.148) 13.847 3.785 ( -21.746 0.000 -9.843) 23.870 3.785 ( -21.746 0.000 9.843) 23.870 4.553 ( 5.803 0.000 -3.210) 6.632 4.553 ( 5.803 0.000 3.210) 6.632 4.705 ( -9.638 0.000 -0.770) 9.669 4.705 ( -9.638 0.000 0.770) 9.669 4.904 ( -3.307 0.000 -1.799) 3.765 4.904 ( -3.307 0.000 1.799) 3.765 5.365 ( 11.452 0.000 -6.314) 13.077 5.365 ( 11.452 0.000 6.314) 13.077 5.421 ( 4.596 0.000 -4.772) 6.626 5.421 ( 4.596 0.000 4.772) 6.626 6.032 ( -7.001 0.000 -7.789) 10.473 6.032 ( -7.001 0.000 7.789) 10.473 6.941 ( 0.648 0.000 -7.221) 7.250 6.941 ( 0.648 0.000 7.221) 7.250 7.269 ( -3.081 0.000 -5.926) 6.679 7.269 ( -3.081 0.000 5.926) 6.679 7.292 ( 6.989 0.000 -7.850) 10.511 7.292 ( 6.989 0.000 7.850) 10.511 7.492 ( 1.005 0.000 -1.628) 1.913 7.492 ( 1.005 0.000 1.628) 1.913 7.948 ( 4.861 0.000 -3.582) 6.038 7.948 ( 4.861 0.000 3.582) 6.038 8.242 ( -2.035 0.000 -2.068) 2.901 8.242 ( -2.035 0.000 2.068) 2.901 8.523 ( 8.698 0.000 -8.373) 12.074 8.523 ( 8.698 0.000 8.373) 12.074 9.128 ( -13.212 0.000 -6.174) 14.583 9.128 ( -13.212 0.000 6.174) 14.583 9.517 ( -0.461 0.000 -1.963) 2.016 9.517 ( -0.461 0.000 1.963) 2.016 9.886 ( 14.403 0.000 -3.513) 14.825 9.886 ( 14.403 0.000 3.513) 14.825 10.043 ( 7.291 0.000 -0.989) 7.358 10.043 ( 7.291 0.000 0.989) 7.358 10.243 ( 0.022 0.000 -1.399) 1.399 10.243 ( 0.022 0.000 1.399) 1.399 11.188 ( -2.589 0.000 -10.663) 10.973 11.188 ( -2.589 0.000 10.663) 10.973 11.547 ( -15.563 0.000 -4.456) 16.189 11.547 ( -15.563 0.000 4.456) 16.189 11.551 ( 0.034 0.000 -0.335) 0.336 11.551 ( 0.034 0.000 0.335) 0.336 11.585 ( -0.003 0.000 -0.298) 0.298 11.585 ( -0.003 0.000 0.298) 0.298 12.631 ( -4.223 0.000 -2.779) 5.055 12.631 ( -4.223 0.000 2.779) 5.055 12.957 ( 1.307 0.000 -1.691) 2.137 12.957 ( 1.307 0.000 1.691) 2.137 14.755 ( 5.371 0.000 -2.513) 5.930 14.755 ( 5.371 0.000 2.513) 5.930 15.241 ( 3.252 0.000 -3.806) 5.006 15.241 ( 3.252 0.000 3.806) 5.006 16.279 ( -2.268 0.000 -5.926) 6.345 16.279 ( -2.268 0.000 5.926) 6.345 16.624 ( -6.501 0.000 -2.733) 7.052 16.624 ( -6.501 0.000 2.733) 7.052 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 12.620 0.000 -12.292) 17.617 1.339 ( 12.620 0.000 12.292) 17.617 1.433 ( 14.449 0.000 -14.925) 20.773 1.433 ( 14.449 0.000 14.925) 20.773 1.569 ( -10.678 0.000 -6.095) 12.295 1.569 ( -10.678 0.000 6.095) 12.295 1.756 ( -14.948 0.000 -10.595) 18.322 1.756 ( -14.948 0.000 10.595) 18.322 1.953 ( -1.619 0.000 -1.168) 1.996 1.953 ( -1.619 0.000 1.168) 1.996 2.156 ( -0.467 0.000 -1.422) 1.497 2.156 ( -0.467 0.000 1.422) 1.497 2.308 ( 13.547 0.000 -18.951) 23.296 2.308 ( 13.547 0.000 18.951) 23.296 2.636 ( 2.767 0.000 -1.676) 3.235 2.636 ( 2.767 0.000 1.676) 3.235 2.785 ( 8.011 0.000 -7.860) 11.223 2.785 ( 8.011 0.000 7.860) 11.223 2.883 ( 14.022 0.000 -9.856) 17.139 2.883 ( 14.022 0.000 9.856) 17.139 2.897 ( -1.162 0.000 -1.761) 2.110 2.897 ( -1.162 0.000 1.761) 2.110 3.232 ( -3.977 0.000 -5.102) 6.469 3.232 ( -3.977 0.000 5.102) 6.469 3.313 ( -17.984 0.000 -6.895) 19.261 3.313 ( -17.984 0.000 6.895) 19.261 3.449 ( -8.564 0.000 -8.380) 11.982 3.449 ( -8.564 0.000 8.380) 11.982 4.533 ( -4.401 0.000 -1.801) 4.756 4.533 ( -4.401 0.000 1.801) 4.756 4.637 ( 0.608 0.000 -1.082) 1.241 4.637 ( 0.608 0.000 1.082) 1.241 4.861 ( -0.816 0.000 -0.715) 1.084 4.861 ( -0.816 0.000 0.715) 1.084 5.477 ( 1.607 0.000 -0.362) 1.647 5.477 ( 1.607 0.000 0.362) 1.647 5.596 ( 9.880 0.000 -7.306) 12.288 5.596 ( 9.880 0.000 7.306) 12.288 5.894 ( -6.700 0.000 -7.220) 9.850 5.894 ( -6.700 0.000 7.220) 9.850 6.954 ( 0.517 0.000 -3.244) 3.285 6.954 ( 0.517 0.000 3.244) 3.285 7.217 ( -1.791 0.000 -2.690) 3.232 7.217 ( -1.791 0.000 2.690) 3.232 7.322 ( -1.166 0.000 -2.344) 2.618 7.322 ( -1.166 0.000 2.344) 2.618 7.585 ( 4.896 0.000 -1.293) 5.064 7.585 ( 4.896 0.000 1.293) 5.064 8.047 ( 4.518 0.000 -2.367) 5.100 8.047 ( 4.518 0.000 2.367) 5.100 8.189 ( -2.996 0.000 -1.840) 3.516 8.189 ( -2.996 0.000 1.840) 3.516 8.703 ( 9.181 0.000 -2.970) 9.649 8.703 ( 9.181 0.000 2.970) 9.649 8.908 ( -9.763 0.000 -2.584) 10.100 8.908 ( -9.763 0.000 2.584) 10.100 9.509 ( -0.288 0.000 -0.762) 0.814 9.509 ( -0.288 0.000 0.762) 0.814 9.995 ( 1.031 0.000 -4.408) 4.527 9.995 ( 1.031 0.000 4.408) 4.527 10.243 ( 0.013 0.000 -0.535) 0.535 10.243 ( 0.013 0.000 0.535) 0.535 10.335 ( 17.024 0.000 -3.682) 17.418 10.335 ( 17.024 0.000 3.682) 17.418 10.968 ( -17.170 0.000 -5.433) 18.009 10.968 ( -17.170 0.000 5.433) 18.009 11.388 ( -1.028 0.000 -2.269) 2.491 11.388 ( -1.028 0.000 2.269) 2.491 11.552 ( 0.021 0.000 -0.126) 0.128 11.552 ( 0.021 0.000 0.126) 0.128 11.585 ( -0.002 0.000 -0.113) 0.113 11.585 ( -0.002 0.000 0.113) 0.113 12.563 ( -2.205 0.000 -1.251) 2.535 12.563 ( -2.205 0.000 1.251) 2.535 12.975 ( 0.516 0.000 -0.699) 0.869 12.975 ( 0.516 0.000 0.699) 0.869 14.860 ( 4.073 0.000 -1.470) 4.330 14.860 ( 4.073 0.000 1.470) 4.330 15.282 ( 0.774 0.000 -2.165) 2.299 15.282 ( 0.774 0.000 2.165) 2.299 16.225 ( -2.377 0.000 -2.769) 3.649 16.225 ( -2.377 0.000 2.769) 3.649 16.534 ( -2.338 0.000 -1.163) 2.612 16.534 ( -2.338 0.000 1.163) 2.612 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 8.380 -15.292) 17.437 1.124 ( 0.000 8.380 15.292) 17.437 1.189 ( 0.000 13.339 -15.371) 20.351 1.189 ( 0.000 13.339 15.371) 20.351 1.917 ( 0.000 14.470 -3.017) 14.781 1.917 ( 0.000 14.470 3.017) 14.781 2.037 ( 0.000 13.710 -12.565) 18.597 2.037 ( 0.000 13.710 12.565) 18.597 2.190 ( 0.000 9.508 -1.114) 9.573 2.190 ( 0.000 9.508 1.114) 9.573 2.295 ( 0.000 6.402 -6.364) 9.027 2.295 ( 0.000 6.402 6.364) 9.027 2.335 ( 0.000 5.934 -4.545) 7.475 2.335 ( 0.000 5.934 4.545) 7.475 2.451 ( 0.000 6.012 -3.861) 7.145 2.451 ( 0.000 6.012 3.861) 7.145 2.560 ( 0.000 17.073 -9.715) 19.643 2.560 ( 0.000 17.073 9.715) 19.643 2.688 ( 0.000 16.601 -5.389) 17.454 2.688 ( 0.000 16.601 5.389) 17.454 3.129 ( 0.000 17.556 -4.429) 18.106 3.129 ( 0.000 17.556 4.429) 18.106 3.360 ( 0.000 2.628 -5.252) 5.873 3.360 ( 0.000 2.628 5.252) 5.873 3.552 ( 0.000 -1.431 -15.478) 15.544 3.552 ( 0.000 -1.431 15.478) 15.544 4.038 ( 0.000 -0.333 -7.945) 7.952 4.038 ( 0.000 -0.333 7.945) 7.952 4.456 ( 0.000 1.230 -4.172) 4.349 4.456 ( 0.000 1.230 4.172) 4.349 4.809 ( 0.000 -4.512 -0.271) 4.520 4.809 ( 0.000 -4.512 0.271) 4.520 4.902 ( 0.000 -1.697 -3.755) 4.121 4.902 ( 0.000 -1.697 3.755) 4.121 5.235 ( 0.000 0.042 -3.722) 3.723 5.235 ( 0.000 0.042 3.722) 3.723 5.346 ( 0.000 -0.774 -1.503) 1.691 5.346 ( 0.000 -0.774 1.503) 1.691 5.991 ( 0.000 -9.497 -4.928) 10.699 5.991 ( 0.000 -9.497 4.928) 10.699 7.037 ( 0.000 5.547 -2.399) 6.043 7.037 ( 0.000 5.547 2.399) 6.043 7.162 ( 0.000 -1.191 -9.266) 9.342 7.162 ( 0.000 -1.191 9.266) 9.342 7.435 ( 0.000 7.893 -4.476) 9.074 7.435 ( 0.000 7.893 4.476) 9.074 7.498 ( 0.000 3.332 -1.561) 3.679 7.498 ( 0.000 3.332 1.561) 3.679 8.055 ( 0.000 14.149 -3.219) 14.510 8.055 ( 0.000 14.149 3.219) 14.510 8.392 ( 0.000 12.334 -1.598) 12.437 8.392 ( 0.000 12.334 1.598) 12.437 8.498 ( 0.000 6.587 -10.181) 12.127 8.498 ( 0.000 6.587 10.181) 12.127 9.212 ( 0.000 -11.426 -10.390) 15.443 9.212 ( 0.000 -11.426 10.390) 15.443 9.512 ( 0.000 -2.562 -9.962) 10.286 9.512 ( 0.000 -2.562 9.962) 10.286 9.724 ( 0.000 10.263 -5.973) 11.875 9.724 ( 0.000 10.263 5.973) 11.875 10.090 ( 0.000 1.254 -3.187) 3.425 10.090 ( 0.000 1.254 3.187) 3.425 10.195 ( 0.000 1.332 -0.019) 1.332 10.195 ( 0.000 1.332 0.019) 1.332 11.203 ( 0.000 -0.050 -10.425) 10.425 11.203 ( 0.000 -0.050 10.425) 10.425 11.351 ( 0.000 -16.674 -0.360) 16.678 11.351 ( 0.000 -16.674 0.360) 16.678 11.522 ( 0.000 -2.064 -0.645) 2.163 11.522 ( 0.000 -2.064 0.645) 2.163 11.855 ( 0.000 7.745 -1.823) 7.957 11.855 ( 0.000 7.745 1.823) 7.957 12.643 ( 0.000 -4.774 -1.443) 4.987 12.643 ( 0.000 -4.774 1.443) 4.987 12.847 ( 0.000 -8.686 -0.091) 8.686 12.847 ( 0.000 -8.686 0.091) 8.686 14.766 ( 0.000 4.395 -0.665) 4.445 14.766 ( 0.000 4.395 0.665) 4.445 15.186 ( 0.000 -1.089 -4.296) 4.432 15.186 ( 0.000 -1.089 4.296) 4.432 16.205 ( 0.000 -9.210 -5.172) 10.563 16.205 ( 0.000 -9.210 5.172) 10.563 16.560 ( 0.000 -13.474 -2.693) 13.740 16.560 ( 0.000 -13.474 2.693) 13.740 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 9.428 7.647 -18.887) 22.452 1.210 ( 9.428 7.647 18.887) 22.452 1.294 ( 9.518 11.165 -18.643) 23.724 1.294 ( 9.518 11.165 18.643) 23.724 1.871 ( -5.205 12.510 -1.119) 13.596 1.871 ( -5.205 12.510 1.119) 13.596 2.016 ( -5.370 7.452 -5.797) 10.862 2.016 ( -5.370 7.452 5.797) 10.862 2.142 ( -6.079 9.919 -6.215) 13.190 2.142 ( -6.079 9.919 6.215) 13.190 2.216 ( 1.828 13.618 -7.810) 15.805 2.216 ( 1.828 13.618 7.810) 15.805 2.392 ( 2.193 15.237 -9.246) 17.958 2.392 ( 2.193 15.237 9.246) 17.958 2.571 ( 12.024 2.540 -5.617) 13.512 2.571 ( 12.024 2.540 5.617) 13.512 2.673 ( 10.620 10.197 -13.352) 19.876 2.673 ( 10.620 10.197 13.352) 19.876 2.753 ( 5.632 17.130 -5.798) 18.941 2.753 ( 5.632 17.130 5.798) 18.941 3.116 ( -1.263 17.097 -3.968) 17.596 3.116 ( -1.263 17.097 3.968) 17.596 3.324 ( -3.366 2.769 -4.335) 6.147 3.324 ( -3.366 2.769 4.335) 6.147 3.520 ( -4.140 -1.334 -11.729) 12.509 3.520 ( -4.140 -1.334 11.729) 12.509 3.802 ( -20.007 2.460 -10.197) 22.590 3.802 ( -20.007 2.460 10.197) 22.590 4.551 ( 5.357 0.084 -2.782) 6.037 4.551 ( 5.357 0.084 2.782) 6.037 4.689 ( -8.886 -1.724 -0.811) 9.088 4.689 ( -8.886 -1.724 0.811) 9.088 4.866 ( -3.070 -3.449 -1.655) 4.905 4.866 ( -3.070 -3.449 1.655) 4.905 5.351 ( 9.102 -1.731 -9.066) 12.963 5.351 ( 9.102 -1.731 9.066) 12.963 5.395 ( 4.796 -1.251 -2.949) 5.767 5.395 ( 4.796 -1.251 2.949) 5.767 5.933 ( -5.286 -7.957 -7.777) 12.319 5.933 ( -5.286 -7.957 7.777) 12.319 7.047 ( 1.499 5.899 -3.381) 6.963 7.047 ( 1.499 5.899 3.381) 6.963 7.225 ( 2.835 -1.180 -5.449) 6.254 7.225 ( 2.835 -1.180 5.449) 6.254 7.414 ( -0.248 6.365 -2.743) 6.936 7.414 ( -0.248 6.365 2.743) 6.936 7.525 ( 2.250 5.322 -0.821) 5.836 7.525 ( 2.250 5.322 0.821) 5.836 8.086 ( 3.423 13.033 -2.954) 13.795 8.086 ( 3.423 13.033 2.954) 13.795 8.369 ( -2.026 11.776 -2.227) 12.155 8.369 ( -2.026 11.776 2.227) 12.155 8.574 ( 7.064 5.141 -7.208) 11.326 8.574 ( 7.064 5.141 7.208) 11.326 9.115 ( -8.732 -2.477 -5.400) 10.561 9.115 ( -8.732 -2.477 5.400) 10.561 9.467 ( -0.379 -4.129 -2.685) 4.940 9.467 ( -0.379 -4.129 2.685) 4.940 9.925 ( 12.303 4.304 -3.524) 13.502 9.925 ( 12.303 4.304 3.524) 13.502 10.102 ( 2.941 -1.240 -2.993) 4.376 10.102 ( 2.941 -1.240 2.993) 4.376 10.189 ( 0.078 0.851 -2.022) 2.195 10.189 ( 0.078 0.851 2.022) 2.195 11.157 ( -4.224 -4.876 -9.204) 11.240 11.157 ( -4.224 -4.876 9.204) 11.240 11.310 ( -8.012 -11.971 -1.978) 14.540 11.310 ( -8.012 -11.971 1.978) 14.540 11.520 ( 0.870 -2.027 -2.054) 3.014 11.520 ( 0.870 -2.027 2.054) 3.014 11.763 ( -5.650 9.160 -0.222) 10.765 11.763 ( -5.650 9.160 0.222) 10.765 12.591 ( -4.151 -4.867 -2.965) 7.050 12.591 ( -4.151 -4.867 2.965) 7.050 12.884 ( 2.472 -7.455 -1.315) 7.964 12.884 ( 2.472 -7.455 1.315) 7.964 14.802 ( 3.716 3.193 -1.674) 5.177 14.802 ( 3.716 3.193 1.674) 5.177 15.226 ( 3.162 -1.359 -4.516) 5.678 15.226 ( 3.162 -1.359 4.516) 5.678 16.184 ( -2.354 -9.305 -5.123) 10.880 16.184 ( -2.354 -9.305 5.123) 10.880 16.502 ( -4.693 -11.618 -1.917) 12.675 16.502 ( -4.693 -11.618 1.917) 12.675 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 12.915 7.246 -9.071) 17.366 1.440 ( 12.915 7.246 9.071) 17.366 1.509 ( 11.820 8.064 -11.303) 18.235 1.509 ( 11.820 8.064 11.303) 18.235 1.716 ( -9.751 10.673 -5.289) 15.394 1.716 ( -9.751 10.673 5.289) 15.394 1.812 ( -13.202 7.524 -7.208) 16.819 1.812 ( -13.202 7.524 7.208) 16.819 2.071 ( -1.452 12.523 -0.994) 12.646 2.071 ( -1.452 12.523 0.994) 12.646 2.280 ( 1.696 11.750 -0.924) 11.908 2.280 ( 1.696 11.750 0.924) 11.908 2.496 ( 7.735 16.650 -10.872) 21.337 2.496 ( 7.735 16.650 10.872) 21.337 2.765 ( 3.054 9.328 -2.278) 10.077 2.765 ( 3.054 9.328 2.278) 10.077 2.866 ( 11.146 3.793 -6.504) 13.451 2.866 ( 11.146 3.793 6.504) 13.451 2.925 ( 9.481 12.943 -10.489) 19.168 2.925 ( 9.481 12.943 10.489) 19.168 3.101 ( 1.536 16.075 -0.208) 16.149 3.101 ( 1.536 16.075 0.208) 16.149 3.257 ( -2.543 2.856 -3.443) 5.145 3.257 ( -2.543 2.856 3.443) 5.145 3.350 ( -16.046 5.523 -6.615) 18.214 3.350 ( -16.046 5.523 6.615) 18.214 3.441 ( -11.306 0.597 -9.764) 14.950 3.441 ( -11.306 0.597 9.764) 14.950 4.529 ( -4.305 -0.258 -1.435) 4.545 4.529 ( -4.305 -0.258 1.435) 4.545 4.622 ( 0.460 -1.201 -0.960) 1.605 4.622 ( 0.460 -1.201 0.960) 1.605 4.831 ( -0.480 -2.797 -0.827) 2.956 4.831 ( -0.480 -2.797 0.827) 2.956 5.432 ( 1.454 -4.067 -1.684) 4.636 5.432 ( 1.454 -4.067 1.684) 4.636 5.567 ( 9.094 -2.085 -4.629) 10.415 5.567 ( 9.094 -2.085 4.629) 10.415 5.817 ( -6.166 -6.192 -7.045) 11.224 5.817 ( -6.166 -6.192 7.045) 11.224 7.100 ( 4.040 6.253 -2.226) 7.770 7.100 ( 4.040 6.253 2.226) 7.770 7.190 ( -4.735 3.770 -1.303) 6.191 7.190 ( -4.735 3.770 1.303) 6.191 7.430 ( 0.468 6.429 -0.699) 6.484 7.430 ( 0.468 6.429 0.699) 6.484 7.581 ( 2.670 0.909 -1.001) 2.993 7.581 ( 2.670 0.909 1.001) 2.993 8.169 ( 4.078 11.760 -1.948) 12.598 8.169 ( 4.078 11.760 1.948) 12.598 8.321 ( -2.594 12.327 -1.499) 12.686 8.321 ( -2.594 12.327 1.499) 12.686 8.732 ( 8.466 2.979 -2.074) 9.212 8.732 ( 8.466 2.979 2.074) 9.212 8.942 ( -8.535 3.005 -1.700) 9.207 8.942 ( -8.535 3.005 1.700) 9.207 9.488 ( 1.416 -2.477 -1.749) 3.347 9.488 ( 1.416 -2.477 1.749) 3.347 9.993 ( -0.884 -1.183 -3.317) 3.631 9.993 ( -0.884 -1.183 3.317) 3.631 10.147 ( -0.248 -7.545 -0.323) 7.556 10.147 ( -0.248 -7.545 0.323) 7.556 10.371 ( 15.549 2.980 -3.550) 16.225 10.371 ( 15.549 2.980 3.550) 16.225 10.957 ( -16.184 -1.428 -6.949) 17.670 10.957 ( -16.184 -1.428 6.949) 17.670 11.159 ( -2.641 -14.138 -2.503) 14.599 11.159 ( -2.641 -14.138 2.503) 14.599 11.550 ( 1.166 0.217 -1.075) 1.601 11.550 ( 1.166 0.217 1.075) 1.601 11.723 ( 0.183 7.838 -0.689) 7.870 11.723 ( 0.183 7.838 0.689) 7.870 12.523 ( -2.269 -4.782 -1.333) 5.458 12.523 ( -2.269 -4.782 1.333) 5.458 12.916 ( 0.831 -6.579 -0.571) 6.656 12.916 ( 0.831 -6.579 0.571) 6.656 14.881 ( 3.248 1.472 -1.221) 3.769 14.881 ( 3.248 1.472 1.221) 3.769 15.268 ( 0.924 -1.368 -2.380) 2.896 15.268 ( 0.924 -1.368 2.380) 2.896 16.129 ( -2.322 -9.298 -2.449) 9.892 16.129 ( -2.322 -9.298 2.449) 9.892 16.436 ( -1.726 -9.555 -0.950) 9.756 16.436 ( -1.726 -9.555 0.950) 9.756 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 12.164 -4.086) 12.832 1.333 ( 0.000 12.164 4.086) 12.832 1.510 ( 0.000 18.128 -5.257) 18.875 1.510 ( 0.000 18.128 5.257) 18.875 2.139 ( 0.000 4.884 -2.696) 5.579 2.139 ( 0.000 4.884 2.696) 5.579 2.273 ( 0.000 7.257 -2.373) 7.636 2.273 ( 0.000 7.257 2.373) 7.636 2.370 ( 0.000 3.682 -2.100) 4.239 2.370 ( 0.000 3.682 2.100) 4.239 2.430 ( 0.000 16.038 -4.082) 16.549 2.430 ( 0.000 16.038 4.082) 16.549 2.587 ( 0.000 19.131 -2.241) 19.262 2.587 ( 0.000 19.131 2.241) 19.262 2.787 ( 0.000 26.081 -0.434) 26.084 2.787 ( 0.000 26.081 0.434) 26.084 2.998 ( 0.000 11.183 -2.423) 11.442 2.998 ( 0.000 11.183 2.423) 11.442 3.102 ( 0.000 32.798 -14.074) 35.690 3.102 ( 0.000 32.798 14.074) 35.690 3.467 ( 0.000 7.815 -6.552) 10.198 3.467 ( 0.000 7.815 6.552) 10.198 3.510 ( 0.000 6.964 -0.459) 6.979 3.510 ( 0.000 6.964 0.459) 6.979 3.610 ( 0.000 20.237 -2.585) 20.402 3.610 ( 0.000 20.237 2.585) 20.402 4.074 ( 0.000 5.684 -8.803) 10.478 4.074 ( 0.000 5.684 8.803) 10.478 4.511 ( 0.000 4.726 -3.370) 5.804 4.511 ( 0.000 4.726 3.370) 5.804 4.689 ( 0.000 -7.241 -0.731) 7.278 4.689 ( 0.000 -7.241 0.731) 7.278 4.862 ( 0.000 -1.966 -3.228) 3.779 4.862 ( 0.000 -1.966 3.228) 3.779 5.242 ( 0.000 1.007 -3.621) 3.758 5.242 ( 0.000 1.007 3.621) 3.758 5.352 ( 0.000 1.321 -1.624) 2.094 5.352 ( 0.000 1.321 1.624) 2.094 5.812 ( 0.000 -7.761 -3.495) 8.512 5.812 ( 0.000 -7.761 3.495) 8.512 7.045 ( 0.000 -2.870 -4.147) 5.044 7.045 ( 0.000 -2.870 4.147) 5.044 7.163 ( 0.000 0.081 -7.856) 7.856 7.163 ( 0.000 0.081 7.856) 7.856 7.491 ( 0.000 2.460 -1.144) 2.713 7.491 ( 0.000 2.460 1.144) 2.713 7.695 ( 0.000 9.961 -1.236) 10.038 7.695 ( 0.000 9.961 1.236) 10.038 8.347 ( 0.000 12.328 -1.594) 12.431 8.347 ( 0.000 12.328 1.594) 12.431 8.645 ( 0.000 6.544 -3.107) 7.244 8.645 ( 0.000 6.544 3.107) 7.244 8.689 ( 0.000 13.527 -6.992) 15.227 8.689 ( 0.000 13.527 6.992) 15.227 8.993 ( 0.000 -6.999 -6.709) 9.695 8.993 ( 0.000 -6.999 6.709) 9.695 9.401 ( 0.000 -6.396 -4.032) 7.561 9.401 ( 0.000 -6.396 4.032) 7.561 9.945 ( 0.000 -5.986 -4.780) 7.660 9.945 ( 0.000 -5.986 4.780) 7.660 10.014 ( 0.000 13.638 -2.935) 13.950 10.014 ( 0.000 13.638 2.935) 13.950 10.344 ( 0.000 7.702 -2.628) 8.138 10.344 ( 0.000 7.702 2.628) 8.138 11.043 ( 0.000 -10.624 -0.711) 10.648 11.043 ( 0.000 -10.624 0.711) 10.648 11.196 ( 0.000 -2.885 -11.203) 11.569 11.196 ( 0.000 -2.885 11.203) 11.569 11.499 ( 0.000 0.156 -3.927) 3.931 11.499 ( 0.000 0.156 3.927) 3.931 11.985 ( 0.000 4.400 -2.222) 4.929 11.985 ( 0.000 4.400 2.222) 4.929 12.463 ( 0.000 -12.853 -5.838) 14.117 12.463 ( 0.000 -12.853 5.838) 14.117 12.629 ( 0.000 -12.924 -1.572) 13.019 12.629 ( 0.000 -12.924 1.572) 13.019 14.800 ( 0.000 -1.177 -0.939) 1.506 14.800 ( 0.000 -1.177 0.939) 1.506 15.161 ( 0.000 -1.496 -6.283) 6.459 15.161 ( 0.000 -1.496 6.283) 6.459 15.958 ( 0.000 -14.767 -3.018) 15.073 15.958 ( 0.000 -14.767 3.018) 15.073 16.224 ( 0.000 -19.422 -0.804) 19.438 16.224 ( 0.000 -19.422 0.804) 19.438 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 7.644 11.177 -9.559) 16.575 1.402 ( 7.644 11.177 9.559) 16.575 1.562 ( 5.254 15.421 -11.129) 19.730 1.562 ( 5.254 15.421 11.129) 19.730 2.035 ( -8.047 5.175 -3.424) 10.162 2.035 ( -8.047 5.175 3.424) 10.162 2.254 ( -5.456 11.861 -4.867) 13.934 2.254 ( -5.456 11.861 4.867) 13.934 2.442 ( 0.857 17.248 -3.009) 17.529 2.442 ( 0.857 17.248 3.009) 17.529 2.489 ( 8.576 6.908 -1.438) 11.106 2.489 ( 8.576 6.908 1.438) 11.106 2.579 ( 2.911 13.508 -5.619) 14.917 2.579 ( 2.911 13.508 5.619) 14.917 2.803 ( 2.461 18.804 -2.749) 19.163 2.803 ( 2.461 18.804 2.749) 19.163 3.027 ( 2.679 14.715 -4.245) 15.548 3.027 ( 2.679 14.715 4.245) 15.548 3.162 ( 5.176 26.568 -14.580) 30.745 3.162 ( 5.176 26.568 14.580) 30.745 3.426 ( -4.249 6.045 -12.690) 14.685 3.426 ( -4.249 6.045 12.690) 14.685 3.486 ( -1.831 13.059 -6.965) 14.913 3.486 ( -1.831 13.059 6.965) 14.913 3.597 ( -1.978 17.860 -4.952) 18.639 3.597 ( -1.978 17.860 4.952) 18.639 3.938 ( -11.587 13.059 -8.803) 19.552 3.938 ( -11.587 13.059 8.803) 19.552 4.573 ( 3.799 2.132 -2.515) 5.030 4.573 ( 3.799 2.132 2.515) 5.030 4.636 ( -5.510 -3.095 -2.109) 6.662 4.636 ( -5.510 -3.095 2.109) 6.662 4.786 ( -4.256 -3.981 -1.403) 5.994 4.786 ( -4.256 -3.981 1.403) 5.994 5.323 ( 4.388 -0.040 -5.736) 7.222 5.323 ( 4.388 -0.040 5.736) 7.222 5.386 ( 5.138 -0.157 -1.810) 5.450 5.386 ( 5.138 -0.157 1.810) 5.450 5.777 ( -3.415 -7.002 -6.910) 10.413 5.777 ( -3.415 -7.002 6.910) 10.413 7.075 ( 1.368 -1.812 -3.099) 3.841 7.075 ( 1.368 -1.812 3.099) 3.841 7.198 ( 4.403 -1.993 -5.492) 7.315 7.198 ( 4.403 -1.993 5.492) 7.315 7.515 ( 1.960 4.026 -1.018) 4.592 7.515 ( 1.960 4.026 1.018) 4.592 7.688 ( -1.125 8.421 -1.819) 8.688 7.688 ( -1.125 8.421 1.819) 8.688 8.379 ( 3.358 13.304 -0.777) 13.743 8.379 ( 3.358 13.304 0.777) 13.743 8.600 ( -1.122 7.407 -0.256) 7.496 8.600 ( -1.122 7.407 0.256) 7.496 8.747 ( 3.311 12.139 -3.336) 13.018 8.747 ( 3.311 12.139 3.336) 13.018 9.049 ( 3.749 -1.686 -5.948) 7.230 9.049 ( 3.749 -1.686 5.948) 7.230 9.354 ( -2.848 -6.597 -2.281) 7.538 9.354 ( -2.848 -6.597 2.281) 7.538 9.922 ( -2.519 -8.686 -5.853) 10.773 9.922 ( -2.519 -8.686 5.853) 10.773 10.092 ( 5.499 8.927 -1.645) 10.613 10.092 ( 5.499 8.927 1.645) 10.613 10.309 ( -1.306 6.643 -3.222) 7.498 10.309 ( -1.306 6.643 3.222) 7.498 10.971 ( -5.039 -8.554 -1.626) 10.060 10.971 ( -5.039 -8.554 1.626) 10.060 11.200 ( -4.128 -2.536 -8.543) 9.821 11.200 ( -4.128 -2.536 8.543) 9.821 11.508 ( 2.109 1.067 -6.202) 6.637 11.508 ( 2.109 1.067 6.202) 6.637 11.915 ( -5.113 5.396 -1.284) 7.543 11.915 ( -5.113 5.396 1.284) 7.543 12.413 ( -3.922 -12.684 -5.063) 14.209 12.413 ( -3.922 -12.684 5.063) 14.209 12.669 ( 2.556 -13.874 -2.110) 14.264 12.669 ( 2.556 -13.874 2.110) 14.264 14.827 ( 2.777 -1.070 -0.958) 3.126 14.827 ( 2.777 -1.070 0.958) 3.126 15.191 ( 2.518 -2.122 -5.761) 6.636 15.191 ( 2.518 -2.122 5.761) 6.636 15.935 ( -2.484 -14.868 -3.488) 15.472 15.935 ( -2.484 -14.868 3.488) 15.472 16.200 ( -1.847 -17.944 -1.149) 18.076 16.200 ( -1.847 -17.944 1.149) 18.076 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 10.443 8.529 -8.909) 16.160 1.597 ( 10.443 8.529 8.909) 16.160 1.692 ( 6.634 9.688 -13.659) 18.012 1.692 ( 6.634 9.688 13.659) 18.012 1.886 ( -5.461 8.463 -7.369) 12.480 1.886 ( -5.461 8.463 7.369) 12.480 2.063 ( -12.152 13.832 -8.478) 20.271 2.063 ( -12.152 13.832 8.478) 20.271 2.436 ( -0.546 21.927 -0.847) 21.951 2.436 ( -0.546 21.927 0.847) 21.951 2.573 ( 2.035 16.901 -1.311) 17.073 2.573 ( 2.035 16.901 1.311) 17.073 2.755 ( 8.871 4.198 -5.642) 11.320 2.755 ( 8.871 4.198 5.642) 11.320 2.895 ( 5.470 6.691 -3.922) 9.491 2.895 ( 5.470 6.691 3.922) 9.491 3.056 ( 1.978 9.741 -3.089) 10.409 3.056 ( 1.978 9.741 3.089) 10.409 3.223 ( -6.308 11.339 -2.788) 13.271 3.223 ( -6.308 11.339 2.788) 13.271 3.356 ( 3.884 10.475 -5.558) 12.478 3.356 ( 3.884 10.475 5.558) 12.478 3.458 ( -2.316 20.280 -4.255) 20.850 3.458 ( -2.316 20.280 4.255) 20.850 3.567 ( 1.538 21.294 -2.024) 21.446 3.567 ( 1.538 21.294 2.024) 21.446 3.709 ( -11.444 24.802 -9.439) 28.900 3.709 ( -11.444 24.802 9.439) 28.900 4.527 ( -3.859 0.028 -0.953) 3.975 4.527 ( -3.859 0.028 0.953) 3.975 4.601 ( -0.230 -0.906 -0.305) 0.983 4.601 ( -0.230 -0.906 0.305) 0.983 4.765 ( 0.664 -2.966 -1.220) 3.275 4.765 ( 0.664 -2.966 1.220) 3.275 5.357 ( 0.541 -2.304 -1.149) 2.631 5.357 ( 0.541 -2.304 1.149) 2.631 5.531 ( 7.653 -1.523 -3.884) 8.716 5.531 ( 7.653 -1.523 3.884) 8.716 5.692 ( -5.285 -6.030 -6.925) 10.594 5.692 ( -5.285 -6.030 6.925) 10.594 7.084 ( 0.100 -2.355 -0.766) 2.478 7.084 ( 0.100 -2.355 0.766) 2.478 7.293 ( 3.817 -0.237 -1.590) 4.142 7.293 ( 3.817 -0.237 1.590) 4.142 7.531 ( -0.657 3.559 -0.831) 3.713 7.531 ( -0.657 3.559 0.831) 3.713 7.665 ( -0.494 6.894 -0.999) 6.984 7.665 ( -0.494 6.894 0.999) 6.984 8.453 ( 3.237 14.282 -0.595) 14.656 8.453 ( 3.237 14.282 0.595) 14.656 8.591 ( -0.753 10.602 -0.583) 10.645 8.591 ( -0.753 10.602 0.583) 10.645 8.845 ( 7.467 9.725 -1.746) 12.384 8.845 ( 7.467 9.725 1.746) 12.384 9.021 ( -6.611 5.734 -2.909) 9.222 9.021 ( -6.611 5.734 2.909) 9.222 9.383 ( 4.402 -8.471 -3.197) 10.068 9.383 ( 4.402 -8.471 3.197) 10.068 9.863 ( -3.040 -10.690 -2.716) 11.441 9.863 ( -3.040 -10.690 2.716) 11.441 10.077 ( -3.715 -0.039 -0.541) 3.754 10.077 ( -3.715 -0.039 0.541) 3.754 10.430 ( 10.255 3.203 -3.034) 11.164 10.430 ( 10.255 3.203 3.034) 11.164 10.884 ( -4.733 -3.629 -6.176) 8.585 10.884 ( -4.733 -3.629 6.176) 8.585 11.026 ( -8.962 0.625 -1.735) 9.150 11.026 ( -8.962 0.625 1.735) 9.150 11.574 ( 2.954 2.170 -3.312) 4.940 11.574 ( 2.954 2.170 3.312) 4.940 11.854 ( -1.231 5.298 -2.134) 5.843 11.854 ( -1.231 5.298 2.134) 5.843 12.347 ( -2.310 -13.039 -1.948) 13.385 12.347 ( -2.310 -13.039 1.948) 13.385 12.700 ( 0.718 -14.975 -0.791) 15.013 12.700 ( 0.718 -14.975 0.791) 15.013 14.886 ( 2.437 -1.437 -0.691) 2.913 14.886 ( 2.437 -1.437 0.691) 2.913 15.230 ( 1.078 -2.414 -2.741) 3.808 15.230 ( 1.078 -2.414 2.741) 3.808 15.880 ( -2.229 -14.903 -1.872) 15.185 15.880 ( -2.229 -14.903 1.872) 15.185 16.175 ( -0.612 -16.051 -0.655) 16.076 16.175 ( -0.612 -16.051 0.655) 16.076 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 12.678 -1.847) 12.812 1.585 ( 0.000 12.678 1.847) 12.812 1.874 ( 0.000 17.637 -3.119) 17.910 1.874 ( 0.000 17.637 3.119) 17.910 2.185 ( 0.000 1.194 -3.078) 3.302 2.185 ( 0.000 1.194 3.078) 3.302 2.330 ( 0.000 0.034 -4.339) 4.339 2.330 ( 0.000 0.034 4.339) 4.339 2.487 ( 0.000 9.116 -2.354) 9.415 2.487 ( 0.000 9.116 2.354) 9.415 2.802 ( 0.000 17.917 -1.326) 17.966 2.802 ( 0.000 17.917 1.326) 17.966 2.996 ( 0.000 16.720 -4.157) 17.229 2.996 ( 0.000 16.720 4.157) 17.229 3.096 ( 0.000 7.538 -1.277) 7.646 3.096 ( 0.000 7.538 1.277) 7.646 3.307 ( 0.000 19.659 -4.099) 20.082 3.307 ( 0.000 19.659 4.099) 20.082 3.476 ( 0.000 0.163 -13.203) 13.204 3.476 ( 0.000 0.163 13.203) 13.204 3.666 ( 0.000 2.918 -6.264) 6.910 3.666 ( 0.000 2.918 6.264) 6.910 3.786 ( 0.000 34.343 -13.687) 36.970 3.786 ( 0.000 34.343 13.687) 36.970 4.090 ( 0.000 22.594 -9.167) 24.382 4.090 ( 0.000 22.594 9.167) 24.382 4.325 ( 0.000 17.822 -1.703) 17.903 4.325 ( 0.000 17.822 1.703) 17.903 4.522 ( 0.000 -6.864 -4.162) 8.027 4.522 ( 0.000 -6.864 4.162) 8.027 4.650 ( 0.000 5.660 -0.098) 5.661 4.650 ( 0.000 5.660 0.098) 5.661 4.883 ( 0.000 7.853 -1.677) 8.030 4.883 ( 0.000 7.853 1.677) 8.030 5.269 ( 0.000 0.563 -0.073) 0.568 5.269 ( 0.000 0.563 0.073) 0.568 5.403 ( 0.000 5.056 -2.774) 5.767 5.403 ( 0.000 5.056 2.774) 5.767 5.706 ( 0.000 -2.422 -0.737) 2.532 5.706 ( 0.000 -2.422 0.737) 2.532 6.987 ( 0.000 -2.545 -5.384) 5.955 6.987 ( 0.000 -2.545 5.384) 5.955 7.135 ( 0.000 -2.991 -9.227) 9.700 7.135 ( 0.000 -2.991 9.227) 9.700 7.555 ( 0.000 3.888 -0.729) 3.956 7.555 ( 0.000 3.888 0.729) 3.956 7.831 ( 0.000 3.796 -1.018) 3.930 7.831 ( 0.000 3.796 1.018) 3.930 8.438 ( 0.000 -3.778 -1.707) 4.146 8.438 ( 0.000 -3.778 1.707) 4.146 8.681 ( 0.000 0.018 -8.238) 8.238 8.681 ( 0.000 0.018 8.238) 8.238 8.816 ( 0.000 -0.976 -7.355) 7.420 8.816 ( 0.000 -0.976 7.355) 7.420 8.948 ( 0.000 -2.007 -3.251) 3.821 8.948 ( 0.000 -2.007 3.251) 3.821 9.436 ( 0.000 11.490 -5.564) 12.766 9.436 ( 0.000 11.490 5.564) 12.766 9.864 ( 0.000 -0.214 -7.100) 7.103 9.864 ( 0.000 -0.214 7.100) 7.103 10.276 ( 0.000 8.889 -3.536) 9.567 10.276 ( 0.000 8.889 3.536) 9.567 10.483 ( 0.000 7.680 -2.957) 8.229 10.483 ( 0.000 7.680 2.957) 8.229 10.929 ( 0.000 -2.323 -0.472) 2.370 10.929 ( 0.000 -2.323 0.472) 2.370 11.076 ( 0.000 -8.946 -9.517) 13.062 11.076 ( 0.000 -8.946 9.517) 13.062 11.535 ( 0.000 3.408 -5.982) 6.885 11.535 ( 0.000 3.408 5.982) 6.885 11.986 ( 0.000 -5.051 -2.205) 5.511 11.986 ( 0.000 -5.051 2.205) 5.511 12.233 ( 0.000 -7.660 -0.045) 7.660 12.233 ( 0.000 -7.660 0.045) 7.660 12.317 ( 0.000 -18.422 -2.687) 18.617 12.317 ( 0.000 -18.422 2.687) 18.617 14.743 ( 0.000 -3.914 -2.589) 4.693 14.743 ( 0.000 -3.914 2.589) 4.693 15.120 ( 0.000 -2.622 -7.315) 7.770 15.120 ( 0.000 -2.622 7.315) 7.770 15.660 ( 0.000 -14.102 -0.865) 14.129 15.660 ( 0.000 -14.102 0.865) 14.129 15.817 ( 0.000 -20.927 -0.134) 20.927 15.817 ( 0.000 -20.927 0.134) 20.927 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 5.228 11.695 -2.643) 13.081 1.634 ( 5.228 11.695 2.643) 13.081 1.878 ( 0.817 15.337 -5.315) 16.252 1.878 ( 0.817 15.337 5.315) 16.252 2.128 ( -4.306 4.442 -2.042) 6.515 2.128 ( -4.306 4.442 2.042) 6.515 2.398 ( 1.582 3.154 -6.757) 7.623 2.398 ( 1.582 3.154 6.757) 7.623 2.548 ( 7.375 4.861 -3.473) 9.492 2.548 ( 7.375 4.861 3.473) 9.492 2.787 ( 0.176 14.796 -4.124) 15.361 2.787 ( 0.176 14.796 4.124) 15.361 2.961 ( -2.094 18.612 -2.778) 18.935 2.961 ( -2.094 18.612 2.778) 18.935 3.091 ( -1.424 8.982 -1.084) 9.159 3.091 ( -1.424 8.982 1.084) 9.159 3.226 ( -6.330 10.509 -3.100) 12.654 3.226 ( -6.330 10.509 3.100) 12.654 3.445 ( -4.716 1.042 -7.859) 9.225 3.445 ( -4.716 1.042 7.859) 9.225 3.687 ( 3.345 16.119 -3.084) 16.748 3.687 ( 3.345 16.119 3.084) 16.748 3.873 ( 7.018 26.929 -8.955) 29.234 3.873 ( 7.018 26.929 8.955) 29.234 4.046 ( -3.983 22.572 -8.096) 24.308 4.046 ( -3.983 22.572 8.096) 24.308 4.303 ( -2.241 20.060 -2.510) 20.340 4.303 ( -2.241 20.060 2.510) 20.340 4.508 ( -0.649 -5.699 -3.208) 6.572 4.508 ( -0.649 -5.699 3.208) 6.572 4.683 ( -0.397 1.871 -1.336) 2.333 4.683 ( -0.397 1.871 1.336) 2.333 4.802 ( -3.819 12.309 -5.123) 13.869 4.802 ( -3.819 12.309 5.123) 13.869 5.351 ( 6.710 -1.071 -1.362) 6.930 5.351 ( 6.710 -1.071 1.362) 6.930 5.392 ( -0.983 4.718 -2.699) 5.524 5.392 ( -0.983 4.718 2.699) 5.524 5.680 ( -2.580 -2.090 -4.666) 5.727 5.680 ( -2.580 -2.090 4.666) 5.727 7.021 ( 2.084 -3.104 -4.768) 6.059 7.021 ( 2.084 -3.104 4.768) 6.059 7.148 ( 2.530 -3.145 -6.616) 7.751 7.148 ( 2.530 -3.145 6.616) 7.751 7.584 ( 1.924 3.211 -1.002) 3.875 7.584 ( 1.924 3.211 1.002) 3.875 7.806 ( -2.464 3.500 -1.463) 4.523 7.806 ( -2.464 3.500 1.463) 4.523 8.484 ( 5.719 -3.192 -1.229) 6.664 8.484 ( 5.719 -3.192 1.229) 6.664 8.697 ( 1.119 3.810 -4.706) 6.158 8.697 ( 1.119 3.810 4.706) 6.158 8.901 ( 5.818 3.137 -3.407) 7.436 8.901 ( 5.818 3.137 3.407) 7.436 8.986 ( 5.793 -8.420 -3.732) 10.880 8.986 ( 5.793 -8.420 3.732) 10.880 9.401 ( -3.615 13.309 -5.819) 14.968 9.401 ( -3.615 13.309 5.819) 14.968 9.789 ( -7.122 -4.053 -5.395) 9.811 9.789 ( -7.122 -4.053 5.395) 9.811 10.231 ( -6.259 2.957 -3.796) 7.895 10.231 ( -6.259 2.957 3.796) 7.895 10.465 ( 0.749 9.945 -1.995) 10.171 10.465 ( 0.749 9.945 1.995) 10.171 10.898 ( -1.525 0.557 -1.827) 2.444 10.898 ( -1.525 0.557 1.827) 2.444 11.125 ( 2.003 -5.727 -7.673) 9.782 11.125 ( 2.003 -5.727 7.673) 9.782 11.563 ( 2.744 4.229 -6.803) 8.468 11.563 ( 2.744 4.229 6.803) 8.468 11.928 ( -4.191 -5.669 -1.577) 7.224 11.928 ( -4.191 -5.669 1.577) 7.224 12.165 ( -5.635 -9.665 -6.374) 12.876 12.165 ( -5.635 -9.665 6.374) 12.876 12.346 ( 1.277 -17.558 -3.905) 18.033 12.346 ( 1.277 -17.558 3.905) 18.033 14.771 ( 2.673 -4.059 -2.181) 5.327 14.771 ( 2.673 -4.059 2.181) 5.327 15.139 ( 1.780 -3.148 -6.451) 7.395 15.139 ( 1.780 -3.148 6.451) 7.395 15.634 ( -2.747 -14.339 -2.061) 14.745 15.634 ( -2.747 -14.339 2.061) 14.745 15.819 ( 0.387 -19.652 -0.828) 19.674 15.819 ( 0.387 -19.652 0.828) 19.674 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 7.995 8.689 -3.457) 12.303 1.770 ( 7.995 8.689 3.457) 12.303 1.883 ( -2.378 8.972 -7.075) 11.671 1.883 ( -2.378 8.972 7.075) 11.671 2.083 ( 1.441 11.170 -4.872) 12.271 2.083 ( 1.441 11.170 4.872) 12.271 2.294 ( -8.837 9.232 -8.872) 15.557 2.294 ( -8.837 9.232 8.872) 15.557 2.740 ( 9.627 1.946 -2.437) 10.119 2.740 ( 9.627 1.946 2.437) 10.119 2.870 ( 7.049 13.089 -4.893) 15.651 2.870 ( 7.049 13.089 4.893) 15.651 2.924 ( -2.584 14.591 -3.977) 15.342 2.924 ( -2.584 14.591 3.977) 15.342 3.011 ( -6.044 8.629 -2.021) 10.727 3.011 ( -6.044 8.629 2.021) 10.727 3.156 ( -0.277 4.756 -3.341) 5.819 3.156 ( -0.277 4.756 3.341) 5.819 3.309 ( -7.617 3.780 -5.505) 10.130 3.309 ( -7.617 3.780 5.505) 10.130 3.771 ( 4.329 21.151 -5.376) 22.249 3.771 ( 4.329 21.151 5.376) 22.249 3.921 ( -3.517 20.671 -4.372) 21.419 3.921 ( -3.517 20.671 4.372) 21.419 4.063 ( 7.938 25.964 -6.921) 28.019 4.063 ( 7.938 25.964 6.921) 28.019 4.221 ( -6.825 23.821 -5.399) 25.361 4.221 ( -6.825 23.821 5.399) 25.361 4.516 ( 1.819 -1.763 -2.450) 3.525 4.516 ( 1.819 -1.763 2.450) 3.525 4.585 ( -5.623 1.016 -0.748) 5.763 4.585 ( -5.623 1.016 0.748) 5.763 4.820 ( 1.882 12.153 -1.570) 12.398 4.820 ( 1.882 12.153 1.570) 12.398 5.371 ( -0.741 3.406 -1.192) 3.684 5.371 ( -0.741 3.406 1.192) 3.684 5.481 ( 5.988 -3.680 -3.290) 7.761 5.481 ( 5.988 -3.680 3.290) 7.761 5.613 ( -4.126 -0.541 -5.103) 6.585 5.613 ( -4.126 -0.541 5.103) 6.585 7.035 ( 0.036 -2.790 -1.367) 3.107 7.035 ( 0.036 -2.790 1.367) 3.107 7.229 ( 4.043 -4.801 -1.550) 6.465 7.229 ( 4.043 -4.801 1.550) 6.465 7.577 ( -2.176 2.103 -2.283) 3.791 7.577 ( -2.176 2.103 2.283) 3.791 7.780 ( 0.133 3.989 -1.741) 4.355 7.780 ( 0.133 3.989 1.741) 4.355 8.623 ( 6.943 0.781 -0.891) 7.043 8.623 ( 6.943 0.781 0.891) 7.043 8.706 ( -1.145 3.348 -2.659) 4.426 8.706 ( -1.145 3.348 2.659) 4.426 8.967 ( 2.317 -0.593 -3.851) 4.534 8.967 ( 2.317 -0.593 3.851) 4.534 9.171 ( 10.129 -2.699 -6.312) 12.236 9.171 ( 10.129 -2.699 6.312) 12.236 9.309 ( -5.625 14.239 -4.309) 15.904 9.309 ( -5.625 14.239 4.309) 15.904 9.650 ( -5.674 -10.257 -2.160) 11.919 9.650 ( -5.674 -10.257 2.160) 11.919 10.069 ( -7.250 -1.050 -1.850) 7.555 10.069 ( -7.250 -1.050 1.850) 7.555 10.531 ( 3.934 6.843 -0.989) 7.955 10.531 ( 3.934 6.843 0.989) 7.955 10.894 ( 0.968 4.034 -4.184) 5.892 10.894 ( 0.968 4.034 4.184) 5.892 11.087 ( -4.515 4.216 -1.315) 6.316 11.087 ( -4.515 4.216 1.315) 6.316 11.626 ( 2.794 2.516 -3.757) 5.315 11.626 ( 2.794 2.516 3.757) 5.315 11.899 ( 1.476 -3.737 -1.736) 4.377 11.899 ( 1.476 -3.737 1.736) 4.377 12.045 ( -5.953 -14.129 -3.425) 15.710 12.045 ( -5.953 -14.129 3.425) 15.710 12.355 ( 0.042 -17.909 -1.345) 17.960 12.355 ( 0.042 -17.909 1.345) 17.960 14.822 ( 1.935 -4.721 -0.926) 5.185 14.822 ( 1.935 -4.721 0.926) 5.185 15.173 ( 1.270 -3.336 -2.980) 4.650 15.173 ( 1.270 -3.336 2.980) 4.650 15.576 ( -2.371 -14.745 -1.363) 14.996 15.576 ( -2.371 -14.745 1.363) 14.996 15.830 ( 0.448 -17.861 -0.534) 17.874 15.830 ( 0.448 -17.861 0.534) 17.874 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.000 10.700 -1.377) 10.788 1.820 ( 0.000 10.700 1.377) 10.788 2.152 ( 0.000 6.760 -3.741) 7.726 2.152 ( 0.000 6.760 3.741) 7.726 2.225 ( 0.000 5.057 -1.245) 5.208 2.225 ( 0.000 5.057 1.245) 5.208 2.337 ( 0.000 1.826 -2.624) 3.197 2.337 ( 0.000 1.826 2.624) 3.197 2.691 ( 0.000 10.851 -3.806) 11.500 2.691 ( 0.000 10.851 3.806) 11.500 3.063 ( 0.000 6.603 -8.356) 10.650 3.063 ( 0.000 6.603 8.356) 10.650 3.103 ( 0.000 3.468 -10.710) 11.258 3.103 ( 0.000 3.468 10.710) 11.258 3.394 ( 0.000 13.459 -2.651) 13.717 3.394 ( 0.000 13.459 2.651) 13.717 3.513 ( 0.000 4.499 -10.649) 11.560 3.513 ( 0.000 4.499 10.649) 11.560 3.616 ( 0.000 11.269 -6.003) 12.768 3.616 ( 0.000 11.269 6.003) 12.768 3.652 ( 0.000 -1.922 -7.855) 8.087 3.652 ( 0.000 -1.922 7.855) 8.087 4.298 ( 0.000 -1.475 -11.816) 11.907 4.298 ( 0.000 -1.475 11.816) 11.907 4.344 ( 0.000 -2.517 -0.854) 2.658 4.344 ( 0.000 -2.517 0.854) 2.658 4.415 ( 0.000 20.883 -4.901) 21.450 4.415 ( 0.000 20.883 4.901) 21.450 4.752 ( 0.000 11.946 -0.706) 11.967 4.752 ( 0.000 11.946 0.706) 11.967 4.829 ( 0.000 23.908 -1.731) 23.971 4.829 ( 0.000 23.908 1.731) 23.971 5.130 ( 0.000 4.718 -7.715) 9.043 5.130 ( 0.000 4.718 7.715) 9.043 5.314 ( 0.000 13.237 -7.081) 15.012 5.314 ( 0.000 13.237 7.081) 15.012 5.591 ( 0.000 12.564 -4.134) 13.227 5.591 ( 0.000 12.564 4.134) 13.227 5.718 ( 0.000 3.600 -1.720) 3.989 5.718 ( 0.000 3.600 1.720) 3.989 6.952 ( 0.000 -0.865 -6.404) 6.462 6.952 ( 0.000 -0.865 6.404) 6.462 7.054 ( 0.000 -4.571 -7.437) 8.729 7.054 ( 0.000 -4.571 7.437) 8.729 7.637 ( 0.000 3.965 -0.120) 3.966 7.637 ( 0.000 3.965 0.120) 3.966 7.861 ( 0.000 -0.341 -2.529) 2.552 7.861 ( 0.000 -0.341 2.529) 2.552 8.333 ( 0.000 -4.435 -3.841) 5.867 8.333 ( 0.000 -4.435 3.841) 5.867 8.602 ( 0.000 -6.145 -11.052) 12.645 8.602 ( 0.000 -6.145 11.052) 12.645 8.745 ( 0.000 -4.853 -2.041) 5.264 8.745 ( 0.000 -4.853 2.041) 5.264 8.957 ( 0.000 3.000 -2.256) 3.754 8.957 ( 0.000 3.000 2.256) 3.754 9.680 ( 0.000 9.783 -6.438) 11.711 9.680 ( 0.000 9.783 6.438) 11.711 9.893 ( 0.000 1.225 -5.513) 5.648 9.893 ( 0.000 1.225 5.513) 5.648 10.344 ( 0.000 -0.406 -4.547) 4.565 10.344 ( 0.000 -0.406 4.547) 4.565 10.541 ( 0.000 -9.962 -12.809) 16.227 10.541 ( 0.000 -9.962 12.809) 16.227 10.838 ( 0.000 -0.254 -2.919) 2.930 10.838 ( 0.000 -0.254 2.919) 2.930 11.034 ( 0.000 5.264 -0.014) 5.264 11.034 ( 0.000 5.264 0.014) 5.264 11.608 ( 0.000 1.477 -0.336) 1.515 11.608 ( 0.000 1.477 0.336) 1.515 11.803 ( 0.000 -15.263 -7.133) 16.847 11.803 ( 0.000 -15.263 7.133) 16.847 11.956 ( 0.000 -10.857 -0.306) 10.861 11.956 ( 0.000 -10.857 0.306) 10.861 12.159 ( 0.000 -2.221 -1.430) 2.642 12.159 ( 0.000 -2.221 1.430) 2.642 14.665 ( 0.000 -3.633 -4.688) 5.931 14.665 ( 0.000 -3.633 4.688) 5.931 15.057 ( 0.000 -3.710 -7.631) 8.485 15.057 ( 0.000 -3.710 7.631) 8.485 15.404 ( 0.000 -17.348 -1.095) 17.383 15.404 ( 0.000 -17.348 1.095) 17.383 15.450 ( 0.000 -9.219 -3.201) 9.759 15.450 ( 0.000 -9.219 3.201) 9.759 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 3.193 9.879 -1.058) 10.436 1.851 ( 3.193 9.879 1.058) 10.436 2.109 ( -3.250 6.275 -4.654) 8.461 2.109 ( -3.250 6.275 4.654) 8.461 2.236 ( 1.283 7.132 -1.574) 7.416 2.236 ( 1.283 7.132 1.574) 7.416 2.418 ( 5.620 0.198 -5.657) 7.976 2.418 ( 5.620 0.198 5.657) 7.976 2.704 ( 1.066 9.911 -3.765) 10.656 2.704 ( 1.066 9.911 3.765) 10.656 2.966 ( -2.512 4.434 -10.364) 11.549 2.966 ( -2.512 4.434 10.364) 11.549 3.168 ( -2.384 3.220 -7.720) 8.698 3.168 ( -2.384 3.220 7.720) 8.698 3.302 ( -3.383 12.365 -2.575) 13.075 3.302 ( -3.383 12.365 2.575) 13.075 3.445 ( -6.346 5.984 -7.635) 11.591 3.445 ( -6.346 5.984 7.635) 11.591 3.546 ( -2.794 12.641 -6.162) 14.338 3.546 ( -2.794 12.641 6.162) 14.338 3.823 ( 10.167 1.218 -2.604) 10.566 3.823 ( 10.167 1.218 2.604) 10.566 4.246 ( -5.085 2.857 -7.213) 9.276 4.246 ( -5.085 2.857 7.213) 9.276 4.313 ( -0.766 -4.794 -0.829) 4.925 4.313 ( -0.766 -4.794 0.829) 4.925 4.488 ( 4.665 17.208 -2.989) 18.078 4.488 ( 4.665 17.208 2.989) 18.078 4.722 ( -1.334 14.764 -0.776) 14.844 4.722 ( -1.334 14.764 0.776) 14.844 4.832 ( -1.597 20.193 -2.788) 20.447 4.832 ( -1.597 20.193 2.788) 20.447 5.156 ( 3.060 12.042 -7.380) 14.451 5.156 ( 3.060 12.042 7.380) 14.451 5.327 ( 0.879 7.966 -5.844) 9.918 5.327 ( 0.879 7.966 5.844) 9.918 5.588 ( -0.160 12.628 -3.428) 13.086 5.588 ( -0.160 12.628 3.428) 13.086 5.698 ( -1.946 4.025 -2.394) 5.071 5.698 ( -1.946 4.025 2.394) 5.071 6.963 ( 0.684 -2.545 -5.055) 5.700 6.963 ( 0.684 -2.545 5.055) 5.700 7.075 ( 2.515 -3.709 -4.757) 6.536 7.075 ( 2.515 -3.709 4.757) 6.536 7.651 ( 0.609 3.579 -2.600) 4.465 7.651 ( 0.609 3.579 2.600) 4.465 7.847 ( -1.101 1.111 -3.006) 3.388 7.847 ( -1.101 1.111 3.006) 3.388 8.374 ( 5.615 -5.865 -4.464) 9.266 8.374 ( 5.615 -5.865 4.464) 9.266 8.698 ( 4.339 -2.998 -6.127) 8.084 8.698 ( 4.339 -2.998 6.127) 8.084 8.780 ( 6.021 -8.905 -2.790) 11.106 8.780 ( 6.021 -8.905 2.790) 11.106 8.991 ( 4.840 4.831 -2.101) 7.154 8.991 ( 4.840 4.831 2.101) 7.154 9.626 ( -7.216 2.576 -5.631) 9.509 9.626 ( -7.216 2.576 5.631) 9.509 9.759 ( -10.269 3.060 -2.553) 11.015 9.759 ( -10.269 3.060 2.553) 11.015 10.247 ( -8.575 0.563 -4.322) 9.619 10.247 ( -8.575 0.563 4.322) 9.619 10.603 ( 3.302 -1.205 -7.429) 8.219 10.603 ( 3.302 -1.205 7.429) 8.219 10.889 ( 5.094 -3.925 -4.798) 8.023 10.889 ( 5.094 -3.925 4.798) 8.023 11.057 ( 3.027 3.887 -3.000) 5.768 11.057 ( 3.027 3.887 3.000) 5.768 11.647 ( 3.138 1.584 -2.542) 4.338 11.647 ( 3.138 1.584 2.542) 4.338 11.730 ( -6.454 -13.119 -4.983) 15.447 11.730 ( -6.454 -13.119 4.983) 15.447 11.928 ( -3.341 -11.161 -3.166) 12.073 11.928 ( -3.341 -11.161 3.166) 12.073 12.138 ( -1.624 -3.642 -1.125) 4.143 12.138 ( -1.624 -3.642 1.125) 4.143 14.684 ( 1.770 -4.312 -3.819) 6.026 14.684 ( 1.770 -4.312 3.819) 6.026 15.062 ( 0.723 -4.730 -6.030) 7.698 15.062 ( 0.723 -4.730 6.030) 7.698 15.383 ( -2.499 -12.784 -1.710) 13.137 15.383 ( -2.499 -12.784 1.710) 13.137 15.472 ( 2.268 -12.184 -2.887) 12.725 15.472 ( 2.268 -12.184 2.887) 12.725 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 5.034 7.523 -1.477) 9.171 1.933 ( 5.034 7.523 1.477) 9.171 2.035 ( -4.581 6.253 -3.645) 8.566 2.035 ( -4.581 6.253 3.645) 8.566 2.295 ( 4.976 8.869 -4.639) 11.178 2.295 ( 4.976 8.869 4.639) 11.178 2.424 ( -5.098 3.651 -8.854) 10.849 2.424 ( -5.098 3.651 8.854) 10.849 2.778 ( 7.342 3.773 -1.511) 8.392 2.778 ( 7.342 3.773 1.511) 8.392 2.996 ( -8.288 3.361 -0.249) 8.947 2.996 ( -8.288 3.361 0.249) 8.947 3.040 ( 6.272 2.617 -3.706) 7.741 3.040 ( 6.272 2.617 3.706) 7.741 3.260 ( -8.652 6.579 -3.641) 11.463 3.260 ( -8.652 6.579 3.641) 11.463 3.356 ( 1.302 15.533 -3.570) 15.991 3.356 ( 1.302 15.533 3.570) 15.991 3.495 ( -2.233 13.827 -3.134) 14.352 3.495 ( -2.233 13.827 3.134) 14.352 3.995 ( 7.714 2.594 -4.495) 9.297 3.995 ( 7.714 2.594 4.495) 9.297 4.136 ( -6.124 2.128 -7.669) 10.043 4.136 ( -6.124 2.128 7.669) 10.043 4.310 ( 0.199 -5.224 -1.083) 5.338 4.310 ( 0.199 -5.224 1.083) 5.338 4.559 ( 2.355 10.449 -0.578) 10.727 4.559 ( 2.355 10.449 0.578) 10.727 4.721 ( 1.001 19.047 -4.142) 19.517 4.721 ( 1.001 19.047 4.142) 19.517 4.772 ( -3.501 22.421 -5.053) 23.248 4.772 ( -3.501 22.421 5.053) 23.248 5.222 ( 2.691 22.290 -3.870) 22.783 5.222 ( 2.691 22.290 3.870) 22.783 5.335 ( -0.075 -1.722 -3.115) 3.560 5.335 ( -0.075 -1.722 3.115) 3.560 5.596 ( 1.077 12.712 -1.914) 12.900 5.596 ( 1.077 12.712 1.914) 12.900 5.653 ( -2.362 4.453 -1.920) 5.393 5.653 ( -2.362 4.453 1.920) 5.393 6.969 ( 0.056 -3.766 -1.603) 4.093 6.969 ( 0.056 -3.766 1.603) 4.093 7.132 ( 2.352 -4.395 -0.864) 5.059 7.132 ( 2.352 -4.395 0.864) 5.059 7.641 ( -1.004 4.652 -3.342) 5.815 7.641 ( -1.004 4.652 3.342) 5.815 7.835 ( -0.163 1.984 -3.109) 3.691 7.835 ( -0.163 1.984 3.109) 3.691 8.534 ( 9.026 -8.075 -3.423) 12.585 8.534 ( 9.026 -8.075 3.423) 12.585 8.706 ( -2.150 -1.856 -2.507) 3.789 8.706 ( -2.150 -1.856 2.507) 3.789 8.873 ( 1.703 -6.743 -1.562) 7.128 8.873 ( 1.703 -6.743 1.562) 7.128 9.203 ( 14.834 5.610 -3.987) 16.353 9.203 ( 14.834 5.610 3.987) 16.353 9.426 ( -9.009 -10.117 -1.992) 13.692 9.426 ( -9.009 -10.117 1.992) 13.692 9.578 ( -10.324 5.792 -2.496) 12.098 9.578 ( -10.324 5.792 2.496) 12.098 10.085 ( -5.926 4.763 -2.224) 7.922 10.085 ( -5.926 4.763 2.224) 7.922 10.643 ( 1.136 2.341 -2.169) 3.387 10.643 ( 1.136 2.341 2.169) 3.387 10.973 ( 2.593 0.101 -3.371) 4.254 10.973 ( 2.593 0.101 3.371) 4.254 11.144 ( 4.381 1.080 -1.824) 4.867 11.144 ( 4.381 1.080 1.824) 4.867 11.584 ( -5.350 -9.551 -0.723) 10.971 11.584 ( -5.350 -9.551 0.723) 10.971 11.736 ( 4.453 -4.745 -4.246) 7.770 11.736 ( 4.453 -4.745 4.246) 7.770 11.835 ( -5.672 -8.024 -4.797) 10.935 11.835 ( -5.672 -8.024 4.797) 10.935 12.116 ( -0.576 -5.546 -0.455) 5.594 12.116 ( -0.576 -5.546 0.455) 5.594 14.715 ( 1.078 -5.598 -1.476) 5.889 14.715 ( 1.078 -5.598 1.476) 5.889 15.084 ( 1.169 -6.142 -2.382) 6.691 15.084 ( 1.169 -6.142 2.382) 6.691 15.329 ( -2.225 -9.713 -0.277) 9.969 15.329 ( -2.225 -9.713 0.277) 9.969 15.512 ( 1.349 -12.720 -0.941) 12.825 15.512 ( 1.349 -12.720 0.941) 12.825 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 7.755 -0.642) 7.782 2.004 ( 0.000 7.755 0.642) 7.782 2.192 ( 0.000 0.539 -0.179) 0.568 2.192 ( 0.000 0.539 0.179) 0.568 2.298 ( 0.000 1.752 -3.361) 3.790 2.298 ( 0.000 1.752 3.361) 3.790 2.429 ( 0.000 4.503 -0.402) 4.521 2.429 ( 0.000 4.503 0.402) 4.521 2.896 ( 0.000 9.226 -4.640) 10.327 2.896 ( 0.000 9.226 4.640) 10.327 3.135 ( 0.000 2.845 -10.143) 10.534 3.135 ( 0.000 2.845 10.143) 10.534 3.175 ( 0.000 3.533 -8.805) 9.487 3.175 ( 0.000 3.533 8.805) 9.487 3.499 ( 0.000 -2.119 -5.791) 6.167 3.499 ( 0.000 -2.119 5.791) 6.167 3.566 ( 0.000 -1.502 -5.141) 5.355 3.566 ( 0.000 -1.502 5.141) 5.355 3.668 ( 0.000 6.032 -1.907) 6.326 3.668 ( 0.000 6.032 1.907) 6.326 3.835 ( 0.000 9.346 -2.813) 9.760 3.835 ( 0.000 9.346 2.813) 9.760 4.198 ( 0.000 -4.662 -8.852) 10.005 4.198 ( 0.000 -4.662 8.852) 10.005 4.295 ( 0.000 -1.849 -3.226) 3.718 4.295 ( 0.000 -1.849 3.226) 3.718 4.578 ( 0.000 -0.646 -3.750) 3.805 4.578 ( 0.000 -0.646 3.750) 3.805 5.083 ( 0.000 -1.029 -2.846) 3.026 5.083 ( 0.000 -1.029 2.846) 3.026 5.148 ( 0.000 21.074 -3.927) 21.437 5.148 ( 0.000 21.074 3.927) 21.437 5.285 ( 0.000 17.567 -0.481) 17.573 5.285 ( 0.000 17.567 0.481) 17.573 5.639 ( 0.000 9.059 -1.101) 9.126 5.639 ( 0.000 9.059 1.101) 9.126 5.785 ( 0.000 12.682 -2.160) 12.864 5.785 ( 0.000 12.682 2.160) 12.864 5.928 ( 0.000 14.328 -0.846) 14.353 5.928 ( 0.000 14.328 0.846) 14.353 6.951 ( 0.000 -0.201 -6.171) 6.174 6.951 ( 0.000 -0.201 6.171) 6.174 6.989 ( 0.000 -0.312 -4.199) 4.211 6.989 ( 0.000 -0.312 4.199) 4.211 7.683 ( 0.000 -0.161 -1.047) 1.059 7.683 ( 0.000 -0.161 1.047) 1.059 7.842 ( 0.000 -0.952 -3.036) 3.182 7.842 ( 0.000 -0.952 3.036) 3.182 8.284 ( 0.000 -0.623 -4.162) 4.208 8.284 ( 0.000 -0.623 4.162) 4.208 8.548 ( 0.000 1.606 -7.120) 7.299 8.548 ( 0.000 1.606 7.120) 7.299 8.640 ( 0.000 -4.477 -2.733) 5.245 8.640 ( 0.000 -4.477 2.733) 5.245 9.055 ( 0.000 6.718 -4.434) 8.049 9.055 ( 0.000 6.718 4.434) 8.049 9.727 ( 0.000 -8.161 -12.501) 14.929 9.727 ( 0.000 -8.161 12.501) 14.929 9.860 ( 0.000 -4.305 -4.526) 6.247 9.860 ( 0.000 -4.305 4.526) 6.247 10.170 ( 0.000 -12.831 -0.193) 12.833 10.170 ( 0.000 -12.831 0.193) 12.833 10.426 ( 0.000 2.923 -5.971) 6.648 10.426 ( 0.000 2.923 5.971) 6.648 10.854 ( 0.000 -2.907 -2.568) 3.879 10.854 ( 0.000 -2.907 2.568) 3.879 11.165 ( 0.000 2.224 -3.735) 4.347 11.165 ( 0.000 2.224 3.735) 4.347 11.321 ( 0.000 -15.896 -3.081) 16.191 11.321 ( 0.000 -15.896 3.081) 16.191 11.706 ( 0.000 -1.094 -7.533) 7.612 11.706 ( 0.000 -1.094 7.533) 7.612 11.880 ( 0.000 1.035 -2.921) 3.099 11.880 ( 0.000 1.035 2.921) 3.099 12.132 ( 0.000 -0.690 -3.669) 3.733 12.132 ( 0.000 -0.690 3.669) 3.733 14.606 ( 0.000 -2.259 -6.220) 6.617 14.606 ( 0.000 -2.259 6.220) 6.617 14.987 ( 0.000 -2.952 -6.389) 7.038 14.987 ( 0.000 -2.952 6.389) 7.038 15.074 ( 0.000 -14.081 -2.206) 14.253 15.074 ( 0.000 -14.081 2.206) 14.253 15.363 ( 0.000 -1.506 -2.344) 2.786 15.363 ( 0.000 -1.506 2.344) 2.786 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 1.777 7.323 -0.381) 7.545 2.022 ( 1.777 7.323 0.381) 7.545 2.172 ( -1.614 1.576 -1.292) 2.600 2.172 ( -1.614 1.576 1.292) 2.600 2.339 ( 3.195 2.107 -4.128) 5.629 2.339 ( 3.195 2.107 4.128) 5.629 2.437 ( 1.011 1.608 -2.413) 3.071 2.437 ( 1.011 1.608 2.413) 3.071 2.905 ( -0.539 9.178 -2.156) 9.443 2.905 ( -0.539 9.178 2.156) 9.443 3.036 ( -1.562 3.885 -8.205) 9.211 3.036 ( -1.562 3.885 8.205) 9.211 3.230 ( -3.268 3.973 -7.323) 8.950 3.230 ( -3.268 3.973 7.323) 8.950 3.452 ( -3.204 2.909 -3.083) 5.313 3.452 ( -3.204 2.909 3.083) 5.313 3.512 ( 0.420 0.251 -10.385) 10.396 3.512 ( 0.420 0.251 10.385) 10.396 3.784 ( 0.914 7.542 -5.025) 9.109 3.784 ( 0.914 7.542 5.025) 9.109 3.829 ( 5.059 2.024 -4.651) 7.164 3.829 ( 5.059 2.024 4.651) 7.164 4.187 ( -1.322 -3.690 -6.964) 7.991 4.187 ( -1.322 -3.690 6.964) 7.991 4.255 ( -3.182 -0.886 -3.371) 4.719 4.255 ( -3.182 -0.886 3.371) 4.719 4.591 ( 0.748 -2.185 -3.624) 4.297 4.591 ( 0.748 -2.185 3.624) 4.297 5.062 ( -1.483 3.775 -1.938) 4.495 5.062 ( -1.483 3.775 1.938) 4.495 5.143 ( -0.029 16.552 -3.148) 16.849 5.143 ( -0.029 16.552 3.148) 16.849 5.343 ( 4.441 16.767 -1.391) 17.401 5.343 ( 4.441 16.767 1.391) 17.401 5.635 ( -0.321 8.969 -0.814) 9.011 5.635 ( -0.321 8.969 0.814) 9.011 5.787 ( 0.300 14.031 -1.845) 14.155 5.787 ( 0.300 14.031 1.845) 14.155 5.922 ( -0.582 14.532 -0.604) 14.556 5.922 ( -0.582 14.532 0.604) 14.556 6.923 ( -1.679 -1.414 -2.724) 3.498 6.923 ( -1.679 -1.414 2.724) 3.498 7.028 ( 2.696 -0.638 -1.434) 3.119 7.028 ( 2.696 -0.638 1.434) 3.119 7.714 ( 2.277 2.173 -2.044) 3.752 7.714 ( 2.277 2.173 2.044) 3.752 7.861 ( 2.115 0.696 -1.805) 2.866 7.861 ( 2.115 0.696 1.805) 2.866 8.288 ( 1.506 -2.577 -5.652) 6.391 8.288 ( 1.506 -2.577 5.652) 6.391 8.614 ( 4.142 -4.838 -5.653) 8.516 8.614 ( 4.142 -4.838 5.653) 8.516 8.669 ( 3.978 -1.318 -0.408) 4.211 8.669 ( 3.978 -1.318 0.408) 4.211 9.106 ( 6.002 6.767 -3.746) 9.790 9.106 ( 6.002 6.767 3.746) 9.790 9.496 ( -17.288 -11.863 -5.326) 21.633 9.496 ( -17.288 -11.863 5.326) 21.633 9.834 ( -6.194 1.360 -2.919) 6.981 9.834 ( -6.194 1.360 2.919) 6.981 10.258 ( 3.982 -5.405 -2.487) 7.159 10.258 ( 3.982 -5.405 2.487) 7.159 10.432 ( 2.880 -4.705 -3.699) 6.642 10.432 ( 2.880 -4.705 3.699) 6.642 10.830 ( -1.611 -5.487 -0.644) 5.755 10.830 ( -1.611 -5.487 0.644) 5.755 11.137 ( -2.362 -3.829 -7.545) 8.785 11.137 ( -2.362 -3.829 7.545) 8.785 11.376 ( 4.548 -7.953 -4.821) 10.353 11.376 ( 4.548 -7.953 4.821) 10.353 11.707 ( -0.109 0.040 -6.877) 6.878 11.707 ( -0.109 0.040 6.877) 6.878 11.863 ( -1.846 1.618 -3.395) 4.190 11.863 ( -1.846 1.618 3.395) 4.190 12.087 ( -3.819 -1.854 -4.076) 5.885 12.087 ( -3.819 -1.854 4.076) 5.885 14.610 ( 0.368 -3.066 -4.691) 5.616 14.610 ( 0.368 -3.066 4.691) 5.616 14.951 ( -2.235 -6.822 -2.933) 7.755 14.951 ( -2.235 -6.822 2.933) 7.755 15.132 ( 4.151 -9.211 -5.379) 11.446 15.132 ( 4.151 -9.211 5.379) 11.446 15.360 ( -0.315 -1.871 -2.993) 3.544 15.360 ( -0.315 -1.871 2.993) 3.544 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 2.196 5.573 -0.671) 6.027 2.063 ( 2.196 5.573 0.671) 6.027 2.135 ( -2.043 3.976 -1.427) 4.692 2.135 ( -2.043 3.976 1.427) 4.692 2.395 ( 2.487 1.054 -3.934) 4.772 2.395 ( 2.487 1.054 3.934) 4.772 2.450 ( -0.388 -0.173 -4.732) 4.751 2.450 ( -0.388 -0.173 4.732) 4.751 2.891 ( 0.851 6.345 -1.709) 6.626 2.891 ( 0.851 6.345 1.709) 6.626 3.062 ( -2.419 4.882 -5.792) 7.952 3.062 ( -2.419 4.882 5.792) 7.952 3.149 ( 2.292 7.938 -6.135) 10.291 3.149 ( 2.292 7.938 6.135) 10.291 3.343 ( -6.906 2.144 -3.412) 7.996 3.343 ( -6.906 2.144 3.412) 7.996 3.593 ( 4.804 6.374 -6.169) 10.087 3.593 ( 4.804 6.374 6.169) 10.087 3.727 ( -3.467 7.687 -4.684) 9.646 3.727 ( -3.467 7.687 4.684) 9.646 3.977 ( 7.437 -2.653 -1.241) 7.993 3.977 ( 7.437 -2.653 1.241) 7.993 4.118 ( -5.665 -1.484 -2.767) 6.477 4.118 ( -5.665 -1.484 2.767) 6.477 4.224 ( -0.138 -1.079 -2.162) 2.420 4.224 ( -0.138 -1.079 2.162) 2.420 4.595 ( -0.166 -3.198 -1.720) 3.635 4.595 ( -0.166 -3.198 1.720) 3.635 5.047 ( -0.156 4.934 -0.620) 4.976 5.047 ( -0.156 4.934 0.620) 4.976 5.143 ( -0.012 15.460 -1.049) 15.496 5.143 ( -0.012 15.460 1.049) 15.496 5.411 ( 2.100 15.237 -0.558) 15.391 5.411 ( 2.100 15.237 0.558) 15.391 5.629 ( -0.248 9.149 -0.257) 9.156 5.629 ( -0.248 9.149 0.257) 9.156 5.795 ( 0.395 16.039 -0.769) 16.063 5.795 ( 0.395 16.039 0.769) 16.063 5.909 ( -0.526 14.868 -0.194) 14.879 5.909 ( -0.526 14.868 0.194) 14.879 6.901 ( -0.557 -2.524 -0.881) 2.730 6.901 ( -0.557 -2.524 0.881) 2.730 7.069 ( 1.281 -1.989 -0.578) 2.435 7.069 ( 1.281 -1.989 0.578) 2.435 7.758 ( 2.241 6.578 -3.562) 7.809 7.758 ( 2.241 6.578 3.562) 7.809 7.874 ( -1.212 2.548 -3.526) 4.516 7.874 ( -1.212 2.548 3.526) 4.516 8.380 ( 6.593 -6.370 -3.957) 9.985 8.380 ( 6.593 -6.370 3.957) 9.985 8.653 ( 0.742 -4.447 -4.921) 6.674 8.653 ( 0.742 -4.447 4.921) 6.674 8.743 ( 1.364 -5.033 -2.343) 5.717 8.743 ( 1.364 -5.033 2.343) 5.717 9.193 ( -10.004 -11.623 -2.705) 15.572 9.193 ( -10.004 -11.623 2.705) 15.572 9.315 ( 14.106 3.032 -3.123) 14.762 9.315 ( 14.106 3.032 3.123) 14.762 9.624 ( -15.020 2.747 -4.804) 16.007 9.624 ( -15.020 2.747 4.804) 16.007 10.261 ( -1.098 10.764 -1.722) 10.956 10.261 ( -1.098 10.764 1.722) 10.956 10.536 ( 4.614 -13.994 -0.812) 14.757 10.536 ( 4.614 -13.994 0.812) 14.757 10.816 ( 0.069 -13.488 -2.161) 13.660 10.816 ( 0.069 -13.488 2.161) 13.660 11.086 ( -2.326 -8.232 -4.151) 9.508 11.086 ( -2.326 -8.232 4.151) 9.508 11.466 ( 4.064 1.877 -3.197) 5.501 11.466 ( 4.064 1.877 3.197) 5.501 11.683 ( -2.451 1.265 -2.333) 3.612 11.683 ( -2.451 1.265 2.333) 3.612 11.826 ( -1.155 2.266 -2.322) 3.443 11.826 ( -1.155 2.266 2.322) 3.443 12.029 ( -1.688 -4.334 -2.232) 5.159 12.029 ( -1.688 -4.334 2.232) 5.159 14.617 ( 0.322 -3.884 -1.668) 4.239 14.617 ( 0.322 -3.884 1.668) 4.239 14.920 ( -0.863 -9.759 -0.687) 9.821 14.920 ( -0.863 -9.759 0.687) 9.821 15.195 ( 1.977 -3.607 -3.125) 5.165 15.195 ( 1.977 -3.607 3.125) 5.165 15.354 ( -0.243 -4.000 -2.000) 4.479 15.354 ( -0.243 -4.000 2.000) 4.479 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.000 4.175 -0.248) 4.182 2.124 ( 0.000 4.175 0.248) 4.182 2.197 ( 0.000 0.091 -0.660) 0.666 2.197 ( 0.000 0.091 0.660) 0.666 2.340 ( 0.000 2.775 -0.181) 2.781 2.340 ( 0.000 2.775 0.181) 2.781 2.460 ( 0.000 -0.978 -0.818) 1.275 2.460 ( 0.000 -0.978 0.818) 1.275 3.043 ( 0.000 5.438 -3.544) 6.491 3.043 ( 0.000 5.438 3.544) 6.491 3.161 ( 0.000 0.390 -3.158) 3.182 3.161 ( 0.000 0.390 3.158) 3.182 3.275 ( 0.000 4.813 -1.813) 5.143 3.275 ( 0.000 4.813 1.813) 5.143 3.423 ( 0.000 -4.386 -2.580) 5.088 3.423 ( 0.000 -4.386 2.580) 5.088 3.512 ( 0.000 -1.639 -2.816) 3.258 3.512 ( 0.000 -1.639 2.816) 3.258 3.775 ( 0.000 2.485 -0.568) 2.549 3.775 ( 0.000 2.485 0.568) 2.549 3.956 ( 0.000 3.967 -0.084) 3.968 3.956 ( 0.000 3.967 0.084) 3.968 4.144 ( 0.000 0.041 -4.803) 4.803 4.144 ( 0.000 0.041 4.803) 4.803 4.259 ( 0.000 -3.643 -0.070) 3.643 4.259 ( 0.000 -3.643 0.070) 3.643 4.552 ( 0.000 -0.127 -1.646) 1.651 4.552 ( 0.000 -0.127 1.646) 1.651 5.055 ( 0.000 -0.791 -0.131) 0.802 5.055 ( 0.000 -0.791 0.131) 0.802 5.433 ( 0.000 2.656 -2.209) 3.454 5.433 ( 0.000 2.656 2.209) 3.454 5.539 ( 0.000 11.757 -0.407) 11.764 5.539 ( 0.000 11.757 0.407) 11.764 5.771 ( 0.000 7.046 -0.144) 7.048 5.771 ( 0.000 7.046 0.144) 7.048 6.052 ( 0.000 10.366 -0.823) 10.398 6.052 ( 0.000 10.366 0.823) 10.398 6.164 ( 0.000 8.585 -0.937) 8.636 6.164 ( 0.000 8.585 0.937) 8.636 6.939 ( 0.000 0.020 -3.064) 3.064 6.939 ( 0.000 0.020 3.064) 3.064 7.035 ( 0.000 2.808 -2.842) 3.995 7.035 ( 0.000 2.808 2.842) 3.995 7.636 ( 0.000 -3.358 -1.074) 3.526 7.636 ( 0.000 -3.358 1.074) 3.526 7.825 ( 0.000 -0.982 -2.094) 2.313 7.825 ( 0.000 -0.982 2.094) 2.313 8.308 ( 0.000 2.668 -0.461) 2.708 8.308 ( 0.000 2.668 0.461) 2.708 8.562 ( 0.000 -1.668 -5.154) 5.418 8.562 ( 0.000 -1.668 5.154) 5.418 8.684 ( 0.000 9.218 -3.627) 9.906 8.684 ( 0.000 9.218 3.627) 9.906 9.223 ( 0.000 10.017 -5.038) 11.212 9.223 ( 0.000 10.017 5.038) 11.212 9.416 ( 0.000 -17.894 -9.757) 20.382 9.416 ( 0.000 -17.894 9.757) 20.382 9.727 ( 0.000 -9.186 -5.282) 10.597 9.727 ( 0.000 -9.186 5.282) 10.597 10.027 ( 0.000 -3.054 -0.377) 3.077 10.027 ( 0.000 -3.054 0.377) 3.077 10.460 ( 0.000 -5.852 -6.307) 8.604 10.460 ( 0.000 -5.852 6.307) 8.604 10.714 ( 0.000 -2.589 -10.225) 10.547 10.714 ( 0.000 -2.589 10.225) 10.547 10.982 ( 0.000 -8.352 -6.061) 10.319 10.982 ( 0.000 -8.352 6.061) 10.319 11.346 ( 0.000 4.510 -0.692) 4.563 11.346 ( 0.000 4.510 0.692) 4.563 11.653 ( 0.000 -2.827 -7.046) 7.592 11.653 ( 0.000 -2.827 7.046) 7.592 11.939 ( 0.000 3.243 -1.430) 3.544 11.939 ( 0.000 3.243 1.430) 3.544 12.122 ( 0.000 -0.443 -2.440) 2.480 12.122 ( 0.000 -0.443 2.440) 2.480 14.574 ( 0.000 -1.019 -5.475) 5.569 14.574 ( 0.000 -1.019 5.475) 5.569 14.855 ( 0.000 -7.373 -2.289) 7.720 14.855 ( 0.000 -7.373 2.289) 7.720 14.955 ( 0.000 -0.767 -2.669) 2.777 14.955 ( 0.000 -0.767 2.669) 2.777 15.356 ( 0.000 0.184 -1.392) 1.404 15.356 ( 0.000 0.184 1.392) 1.404 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 1.281 4.321 -0.820) 4.581 2.139 ( 1.281 4.321 0.820) 4.581 2.193 ( -0.288 0.631 -0.870) 1.112 2.193 ( -0.288 0.631 0.870) 1.112 2.359 ( 1.655 0.883 -1.993) 2.737 2.359 ( 1.655 0.883 1.993) 2.737 2.445 ( -1.353 -1.141 -0.504) 1.840 2.445 ( -1.353 -1.141 0.504) 1.840 3.039 ( -1.631 4.798 -4.151) 6.550 3.039 ( -1.631 4.798 4.151) 6.550 3.135 ( 1.360 5.196 -2.930) 6.118 3.135 ( 1.360 5.196 2.930) 6.118 3.315 ( -0.517 2.664 -5.222) 5.885 3.315 ( -0.517 2.664 5.222) 5.885 3.426 ( -1.350 -4.668 -6.854) 8.402 3.426 ( -1.350 -4.668 6.854) 8.402 3.499 ( 3.049 1.550 -5.495) 6.473 3.499 ( 3.049 1.550 5.495) 6.473 3.803 ( 1.275 -3.467 -4.447) 5.782 3.803 ( 1.275 -3.467 4.447) 5.782 3.932 ( -1.454 6.527 -0.879) 6.744 3.932 ( -1.454 6.527 0.879) 6.744 4.167 ( 0.633 1.132 -3.483) 3.716 4.167 ( 0.633 1.132 3.483) 3.716 4.237 ( -0.918 -2.923 -1.891) 3.600 4.237 ( -0.918 -2.923 1.891) 3.600 4.534 ( -1.861 -1.654 -1.845) 3.099 4.534 ( -1.861 -1.654 1.845) 3.099 5.073 ( 1.749 0.529 -0.924) 2.047 5.073 ( 1.749 0.529 0.924) 2.047 5.363 ( -4.349 3.223 -2.503) 5.964 5.363 ( -4.349 3.223 2.503) 5.964 5.622 ( 5.500 10.402 -1.595) 11.875 5.622 ( 5.500 10.402 1.595) 11.875 5.772 ( 0.074 7.179 -0.680) 7.212 5.772 ( 0.074 7.179 0.680) 7.212 6.067 ( 1.405 10.553 -0.789) 10.676 6.067 ( 1.405 10.553 0.789) 10.676 6.162 ( -0.347 8.735 -0.616) 8.763 6.162 ( -0.347 8.735 0.616) 8.763 6.918 ( -1.837 1.050 -2.189) 3.045 6.918 ( -1.837 1.050 2.189) 3.045 7.031 ( -0.162 -0.043 -2.071) 2.077 7.031 ( -0.162 -0.043 2.071) 2.077 7.728 ( 7.928 -0.006 -0.240) 7.932 7.728 ( 7.928 -0.006 0.240) 7.932 7.871 ( 5.252 -0.469 -1.745) 5.554 7.871 ( 5.252 -0.469 1.745) 5.554 8.273 ( -2.986 1.256 -2.964) 4.391 8.273 ( -2.986 1.256 2.964) 4.391 8.567 ( 0.182 -0.902 -3.850) 3.959 8.567 ( 0.182 -0.902 3.850) 3.959 8.693 ( 0.776 4.151 -2.667) 4.994 8.693 ( 0.776 4.151 2.667) 4.994 9.217 ( -15.268 -13.587 -6.073) 21.322 9.217 ( -15.268 -13.587 6.073) 21.322 9.276 ( 4.534 9.419 -2.868) 10.840 9.276 ( 4.534 9.419 2.868) 10.840 9.809 ( 2.347 -5.848 -1.850) 6.568 9.809 ( 2.347 -5.848 1.850) 6.568 10.030 ( 2.665 -8.205 -3.672) 9.376 10.030 ( 2.665 -8.205 3.672) 9.376 10.455 ( -0.754 -6.372 -5.896) 8.714 10.455 ( -0.754 -6.372 5.896) 8.714 10.658 ( -4.970 -1.342 -6.164) 8.031 10.658 ( -4.970 -1.342 6.164) 8.031 10.963 ( -1.841 -8.212 -4.907) 9.742 10.963 ( -1.841 -8.212 4.907) 9.742 11.417 ( 6.646 4.299 -2.443) 8.284 11.417 ( 6.646 4.299 2.443) 8.284 11.683 ( 2.756 -1.729 -6.023) 6.845 11.683 ( 2.756 -1.729 6.023) 6.845 11.918 ( -2.200 2.922 -1.351) 3.899 11.918 ( -2.200 2.922 1.351) 3.899 12.060 ( -5.914 -1.090 -3.618) 7.018 12.060 ( -5.914 -1.090 3.618) 7.018 14.566 ( -0.331 -1.318 -3.958) 4.184 14.566 ( -0.331 -1.318 3.958) 4.184 14.806 ( -3.727 -6.197 -1.189) 7.329 14.806 ( -3.727 -6.197 1.189) 7.329 15.040 ( 6.924 -1.499 -3.642) 7.966 15.040 ( 6.924 -1.499 3.642) 7.966 15.346 ( -1.140 -0.049 -1.629) 1.989 15.346 ( -1.140 -0.049 1.629) 1.989 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.167 3.564 -0.757) 3.647 2.154 ( 0.167 3.564 0.757) 3.647 2.196 ( 0.471 2.016 -1.003) 2.301 2.196 ( 0.471 2.016 1.003) 2.301 2.381 ( 0.276 -1.097 -3.266) 3.457 2.381 ( 0.276 -1.097 3.266) 3.457 2.429 ( -0.035 -1.882 -2.216) 2.907 2.429 ( -0.035 -1.882 2.216) 2.907 3.007 ( -0.925 5.792 -2.137) 6.243 3.007 ( -0.925 5.792 2.137) 6.243 3.193 ( 2.396 6.553 -2.055) 7.273 3.193 ( 2.396 6.553 2.055) 7.273 3.277 ( -0.837 0.074 -2.343) 2.489 3.277 ( -0.837 0.074 2.343) 2.489 3.368 ( -3.182 4.779 -2.048) 6.096 3.368 ( -3.182 4.779 2.048) 6.096 3.609 ( 5.047 -2.601 -5.852) 8.154 3.609 ( 5.047 -2.601 5.852) 8.154 3.786 ( -2.161 -2.623 -6.031) 6.922 3.786 ( -2.161 -2.623 6.031) 6.922 3.940 ( 1.813 1.838 -1.833) 3.166 3.940 ( 1.813 1.838 1.833) 3.166 4.117 ( -3.636 -0.180 -1.906) 4.109 4.117 ( -3.636 -0.180 1.906) 4.109 4.268 ( 2.190 3.679 -2.201) 4.814 4.268 ( 2.190 3.679 2.201) 4.814 4.494 ( -1.746 -5.381 -1.336) 5.812 4.494 ( -1.746 -5.381 1.336) 5.812 5.109 ( 1.490 3.599 -0.883) 3.994 5.109 ( 1.490 3.599 0.883) 3.994 5.300 ( -1.956 0.750 -1.428) 2.536 5.300 ( -1.956 0.750 1.428) 2.536 5.703 ( 2.517 11.111 -1.037) 11.440 5.703 ( 2.517 11.111 1.037) 11.440 5.771 ( -0.243 6.909 -0.730) 6.952 5.771 ( -0.243 6.909 0.730) 6.952 6.097 ( 1.347 11.144 -0.486) 11.235 6.097 ( 1.347 11.144 0.486) 11.235 6.150 ( -0.701 8.683 -0.098) 8.712 6.150 ( -0.701 8.683 0.098) 8.712 6.889 ( -0.884 1.536 -0.696) 1.904 6.889 ( -0.884 1.536 0.696) 1.904 7.031 ( 0.059 -2.629 -0.652) 2.709 7.031 ( 0.059 -2.629 0.652) 2.709 7.869 ( 6.586 4.676 -1.186) 8.164 7.869 ( 6.586 4.676 1.186) 8.164 7.962 ( -0.201 5.150 -1.230) 5.299 7.962 ( -0.201 5.150 1.230) 5.299 8.281 ( 6.257 -3.700 -2.550) 7.704 8.281 ( 6.257 -3.700 2.550) 7.704 8.557 ( -2.062 -4.210 -5.340) 7.105 8.557 ( -2.062 -4.210 5.340) 7.105 8.668 ( -4.148 -2.183 -4.403) 6.432 8.668 ( -4.148 -2.183 4.403) 6.432 8.958 ( -7.867 -11.958 -1.521) 14.394 8.958 ( -7.867 -11.958 1.521) 14.394 9.384 ( 4.978 7.227 -1.506) 8.904 9.384 ( 4.978 7.227 1.506) 8.904 9.759 ( -4.308 8.358 -2.494) 9.728 9.759 ( -4.308 8.358 2.494) 9.728 10.144 ( 6.153 -18.962 -2.638) 20.110 10.144 ( 6.153 -18.962 2.638) 20.110 10.421 ( -2.546 -8.833 -3.870) 9.974 10.421 ( -2.546 -8.833 3.870) 9.974 10.572 ( -2.903 2.369 -1.473) 4.026 10.572 ( -2.903 2.369 1.473) 4.026 10.929 ( -1.194 -7.714 -1.605) 7.969 10.929 ( -1.194 -7.714 1.605) 7.969 11.560 ( 7.004 5.172 -2.482) 9.054 11.560 ( 7.004 5.172 2.482) 9.054 11.723 ( -0.111 1.383 -1.076) 1.756 11.723 ( -0.111 1.383 1.076) 1.756 11.866 ( -2.059 1.578 -1.928) 3.233 11.866 ( -2.059 1.578 1.928) 3.233 11.946 ( -4.388 -3.491 -4.408) 7.133 11.946 ( -4.388 -3.491 4.408) 7.133 14.572 ( 0.668 -0.655 -1.561) 1.820 14.572 ( 0.668 -0.655 1.561) 1.820 14.741 ( -2.469 -7.469 -0.521) 7.884 14.741 ( -2.469 -7.469 0.521) 7.884 15.170 ( 5.592 0.277 -2.411) 6.095 15.170 ( 5.592 0.277 2.411) 6.095 15.307 ( -2.748 -1.361 -1.666) 3.490 15.307 ( -2.748 -1.361 1.666) 3.490 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 0.000 0.000 -0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 -0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 -0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 -0.000 -0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 -0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 -0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 -0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 -0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 -0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 -0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 -0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 -0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 -0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 -0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 -0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 -0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 -0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 -0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 -0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 -0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 -0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.835 ( 0.000 0.000 -0.000) 0.000 8.835 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 -0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 -0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 10.006 ( 0.000 0.000 -0.000) 0.000 10.006 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 -0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 -0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 -0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 -0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 -0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 -0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 -0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 -0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 14.781 ( 0.000 0.000 -0.000) 0.000 14.781 ( 0.000 0.000 0.000) 0.000 14.950 ( 0.000 0.000 -0.000) 0.000 14.950 ( 0.000 0.000 0.000) 0.000 15.359 ( 0.000 0.000 -0.000) 0.000 15.359 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 1.690 0.000 -0.000) 1.690 2.186 ( 1.690 0.000 0.000) 1.690 2.196 ( -0.007 0.000 -0.000) 0.007 2.196 ( -0.007 0.000 0.000) 0.007 2.380 ( -0.946 0.000 -0.000) 0.946 2.380 ( -0.946 0.000 0.000) 0.946 2.416 ( -0.727 0.000 -0.000) 0.727 2.416 ( -0.727 0.000 0.000) 0.727 3.099 ( 0.002 0.000 -0.000) 0.002 3.099 ( 0.002 0.000 0.000) 0.002 3.192 ( 1.514 0.000 -0.000) 1.514 3.192 ( 1.514 0.000 0.000) 1.514 3.323 ( -1.954 0.000 -0.000) 1.954 3.323 ( -1.954 0.000 0.000) 1.954 3.358 ( 3.042 0.000 -0.000) 3.042 3.358 ( 3.042 0.000 0.000) 3.042 3.562 ( 3.337 0.000 -0.000) 3.337 3.562 ( 3.337 0.000 0.000) 3.337 3.723 ( -3.130 0.000 -0.000) 3.130 3.723 ( -3.130 0.000 0.000) 3.130 4.089 ( -1.711 0.000 -0.000) 1.711 4.089 ( -1.711 0.000 0.000) 1.711 4.092 ( 0.101 -0.000 -0.000) 0.101 4.092 ( 0.101 -0.000 0.000) 0.101 4.208 ( 2.444 0.000 -0.000) 2.444 4.208 ( 2.444 0.000 0.000) 2.444 4.528 ( -3.478 0.000 -0.000) 3.478 4.528 ( -3.478 0.000 0.000) 3.478 5.082 ( 3.455 0.000 -0.000) 3.455 5.082 ( 3.455 0.000 0.000) 3.455 5.373 ( -4.931 0.000 -0.000) 4.931 5.373 ( -4.931 0.000 0.000) 4.931 5.732 ( 5.054 0.000 -0.000) 5.054 5.732 ( 5.054 0.000 0.000) 5.054 5.855 ( 0.187 0.000 -0.000) 0.187 5.855 ( 0.187 0.000 0.000) 0.187 6.173 ( 1.529 0.000 -0.000) 1.529 6.173 ( 1.529 0.000 0.000) 1.529 6.251 ( -0.195 0.000 -0.000) 0.195 6.251 ( -0.195 0.000 0.000) 0.195 6.942 ( -0.153 0.000 -0.000) 0.153 6.942 ( -0.153 0.000 0.000) 0.153 7.020 ( -3.442 0.000 0.000) 3.442 7.020 ( -3.442 0.000 0.000) 3.442 7.733 ( 12.766 0.000 -0.000) 12.766 7.733 ( 12.766 0.000 0.000) 12.766 7.853 ( 4.215 0.000 -0.000) 4.215 7.853 ( 4.215 0.000 0.000) 4.215 8.304 ( -4.067 0.000 -0.000) 4.067 8.304 ( -4.067 0.000 0.000) 4.067 8.548 ( 0.184 0.000 -0.000) 0.184 8.548 ( 0.184 0.000 0.000) 0.184 8.795 ( -3.470 0.000 -0.000) 3.470 8.795 ( -3.470 0.000 0.000) 3.470 9.012 ( -14.914 0.000 0.000) 14.914 9.012 ( -14.914 0.000 0.000) 14.914 9.478 ( 7.681 0.000 0.000) 7.681 9.478 ( 7.681 0.000 0.000) 7.681 9.616 ( 3.527 0.000 -0.000) 3.527 9.616 ( 3.527 0.000 0.000) 3.527 10.014 ( 0.987 0.000 -0.000) 0.987 10.014 ( 0.987 0.000 0.000) 0.987 10.287 ( -3.700 0.000 -0.000) 3.700 10.287 ( -3.700 0.000 0.000) 3.700 10.781 ( -1.904 -0.000 -0.000) 1.904 10.781 ( -1.904 -0.000 0.000) 1.904 10.806 ( -2.829 0.000 -0.000) 2.829 10.806 ( -2.829 0.000 0.000) 2.829 11.464 ( 6.850 0.000 -0.000) 6.850 11.464 ( 6.850 0.000 0.000) 6.850 11.662 ( 3.661 0.000 -0.000) 3.661 11.662 ( 3.661 0.000 0.000) 3.661 11.952 ( -2.310 0.000 -0.000) 2.310 11.952 ( -2.310 0.000 0.000) 2.310 12.046 ( -6.861 0.000 -0.000) 6.861 12.046 ( -6.861 0.000 0.000) 6.861 14.554 ( -0.235 0.000 -0.000) 0.235 14.554 ( -0.235 0.000 0.000) 0.235 14.741 ( -3.883 0.000 -0.000) 3.883 14.741 ( -3.883 0.000 0.000) 3.883 15.030 ( 7.223 0.000 -0.000) 7.223 15.030 ( 7.223 0.000 0.000) 7.223 15.347 ( -1.457 0.000 -0.000) 1.457 15.347 ( -1.457 0.000 0.000) 1.457 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.473 -0.000 -0.000) 0.473 2.200 ( 0.473 -0.000 0.000) 0.473 2.207 ( 0.175 0.000 -0.000) 0.175 2.207 ( 0.175 0.000 0.000) 0.175 2.376 ( 0.720 0.000 -0.000) 0.720 2.376 ( 0.720 0.000 0.000) 0.720 2.398 ( -1.218 0.000 -0.000) 1.218 2.398 ( -1.218 0.000 0.000) 1.218 3.114 ( 1.686 0.000 -0.000) 1.686 3.114 ( 1.686 0.000 0.000) 1.686 3.163 ( -3.243 0.000 -0.000) 3.243 3.163 ( -3.243 0.000 0.000) 3.243 3.352 ( 3.332 0.000 -0.000) 3.332 3.352 ( 3.332 0.000 0.000) 3.332 3.392 ( -0.237 0.000 -0.000) 0.237 3.392 ( -0.237 0.000 0.000) 0.237 3.629 ( 3.490 0.000 -0.000) 3.490 3.629 ( 3.490 0.000 0.000) 3.490 3.679 ( -1.751 0.000 -0.000) 1.751 3.679 ( -1.751 0.000 0.000) 1.751 4.048 ( -2.295 0.002 -0.001) 2.295 4.048 ( -2.295 0.002 0.000) 2.295 4.049 ( -1.929 -0.002 -0.000) 1.929 4.049 ( -1.929 -0.002 0.000) 1.929 4.312 ( 6.771 0.000 -0.000) 6.771 4.312 ( 6.771 0.000 0.000) 6.771 4.436 ( -5.964 0.000 -0.000) 5.964 4.436 ( -5.964 0.000 0.000) 5.964 5.169 ( 5.358 0.000 -0.000) 5.358 5.169 ( 5.358 0.000 0.000) 5.358 5.273 ( -5.454 0.000 -0.000) 5.454 5.273 ( -5.454 0.000 0.000) 5.454 5.814 ( 3.190 0.000 -0.000) 3.190 5.814 ( 3.190 0.000 0.000) 3.190 5.851 ( -0.825 0.000 -0.000) 0.825 5.851 ( -0.825 0.000 0.000) 0.825 6.208 ( 1.958 0.000 -0.000) 1.958 6.208 ( 1.958 0.000 0.000) 1.958 6.239 ( -1.144 0.000 0.000) 1.144 6.239 ( -1.144 0.000 0.000) 1.144 6.944 ( 0.511 0.000 0.000) 0.511 6.944 ( 0.511 0.000 0.000) 0.511 6.966 ( -1.944 -0.000 0.000) 1.944 6.966 ( -1.944 0.000 0.000) 1.944 7.955 ( 5.743 0.000 -0.000) 5.743 7.955 ( 5.743 0.000 0.000) 5.743 7.982 ( 7.998 -0.000 -0.000) 7.998 7.982 ( 7.998 -0.000 0.000) 7.998 8.260 ( 4.296 0.000 -0.000) 4.296 8.260 ( 4.296 0.000 0.000) 4.296 8.486 ( -10.475 0.000 -0.000) 10.475 8.486 ( -10.475 0.000 0.000) 10.475 8.731 ( -2.610 -0.000 0.000) 2.610 8.731 ( -2.610 0.000 0.000) 2.610 8.747 ( -7.594 0.000 0.000) 7.594 8.747 ( -7.594 0.000 0.000) 7.594 9.620 ( 5.557 -0.000 -0.000) 5.557 9.620 ( 5.557 -0.000 0.000) 5.557 9.662 ( 0.728 0.000 -0.000) 0.728 9.662 ( 0.728 0.000 0.000) 0.728 10.061 ( 4.622 0.000 -0.000) 4.622 10.061 ( 4.622 0.000 0.000) 4.622 10.182 ( -6.962 0.000 -0.000) 6.962 10.182 ( -6.962 0.000 0.000) 6.962 10.750 ( -0.845 -0.001 -0.000) 0.845 10.750 ( -0.845 -0.000 0.000) 0.845 10.758 ( -1.715 0.001 -0.000) 1.715 10.758 ( -1.715 0.001 0.000) 1.715 11.623 ( 9.037 0.000 -0.000) 9.037 11.623 ( 9.037 0.000 0.000) 9.037 11.726 ( 1.031 0.000 -0.000) 1.031 11.726 ( 1.031 0.000 0.000) 1.031 11.895 ( -3.267 -0.000 -0.001) 3.267 11.895 ( -3.267 -0.000 0.001) 3.267 11.899 ( -6.281 0.000 -0.001) 6.281 11.899 ( -6.281 0.000 0.001) 6.281 14.577 ( 2.812 0.000 -0.000) 2.812 14.577 ( 2.812 0.000 0.000) 2.812 14.653 ( -4.828 0.000 -0.000) 4.828 14.653 ( -4.828 0.000 0.000) 4.828 15.177 ( 7.468 0.000 -0.000) 7.468 15.177 ( 7.468 0.000 0.000) 7.468 15.293 ( -4.459 0.000 -0.000) 4.459 15.293 ( -4.459 0.000 0.000) 4.459 =================== 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 3/23520 10.0 1129.863 970.044 790.628 0.000 0.000 -0.000 3/23520 20.0 175.245 234.446 171.290 0.000 0.000 -0.000 3/23520 30.0 62.822 107.962 62.397 0.000 0.000 -0.000 3/23520 40.0 33.480 66.900 33.846 0.000 0.000 -0.000 3/23520 50.0 21.712 47.610 22.309 0.000 0.000 -0.000 3/23520 60.0 15.657 36.346 16.298 0.000 0.000 -0.000 3/23520 70.0 12.055 28.989 12.668 0.000 0.000 -0.000 3/23520 80.0 9.711 23.871 10.269 0.000 0.000 -0.000 3/23520 90.0 8.088 20.157 8.585 0.000 0.000 -0.000 3/23520 100.0 6.912 17.373 7.349 0.000 0.000 -0.000 3/23520 110.0 6.027 15.228 6.411 0.000 0.000 -0.000 3/23520 120.0 5.340 13.537 5.679 0.000 0.000 -0.000 3/23520 130.0 4.794 12.176 5.094 0.000 0.000 -0.000 3/23520 140.0 4.351 11.062 4.617 0.000 0.000 -0.000 3/23520 150.0 3.983 10.134 4.222 0.000 0.000 -0.000 3/23520 160.0 3.675 9.351 3.889 0.000 0.000 -0.000 3/23520 170.0 3.412 8.682 3.606 0.000 0.000 -0.000 3/23520 180.0 3.185 8.104 3.361 0.000 0.000 -0.000 3/23520 190.0 2.987 7.601 3.149 0.000 0.000 -0.000 3/23520 200.0 2.813 7.157 2.962 0.000 0.000 -0.000 3/23520 210.0 2.659 6.764 2.797 0.000 0.000 -0.000 3/23520 220.0 2.521 6.414 2.649 0.000 0.000 -0.000 3/23520 230.0 2.398 6.099 2.517 0.000 0.000 -0.000 3/23520 240.0 2.286 5.814 2.398 0.000 0.000 -0.000 3/23520 250.0 2.185 5.556 2.290 0.000 0.000 -0.000 3/23520 260.0 2.092 5.320 2.191 0.000 0.000 -0.000 3/23520 270.0 2.008 5.104 2.101 0.000 0.000 -0.000 3/23520 280.0 1.930 4.905 2.018 0.000 0.000 -0.000 3/23520 290.0 1.858 4.722 1.942 0.000 0.000 -0.000 3/23520 300.0 1.791 4.553 1.871 0.000 0.000 -0.000 3/23520 310.0 1.729 4.395 1.805 0.000 0.000 -0.000 3/23520 320.0 1.672 4.248 1.744 0.000 0.000 -0.000 3/23520 330.0 1.618 4.111 1.687 0.000 0.000 -0.000 3/23520 340.0 1.567 3.983 1.634 0.000 0.000 -0.000 3/23520 350.0 1.520 3.863 1.584 0.000 0.000 -0.000 3/23520 360.0 1.476 3.750 1.537 0.000 0.000 -0.000 3/23520 370.0 1.434 3.643 1.493 0.000 0.000 -0.000 3/23520 380.0 1.394 3.543 1.452 0.000 0.000 -0.000 3/23520 390.0 1.357 3.448 1.412 0.000 0.000 -0.000 3/23520 400.0 1.321 3.358 1.375 0.000 0.000 -0.000 3/23520 410.0 1.288 3.273 1.340 0.000 0.000 -0.000 3/23520 420.0 1.256 3.192 1.306 0.000 0.000 -0.000 3/23520 430.0 1.226 3.115 1.275 0.000 0.000 -0.000 3/23520 440.0 1.197 3.041 1.244 0.000 0.000 -0.000 3/23520 450.0 1.169 2.972 1.216 0.000 0.000 -0.000 3/23520 460.0 1.143 2.905 1.188 0.000 0.000 -0.000 3/23520 470.0 1.118 2.841 1.162 0.000 0.000 -0.000 3/23520 480.0 1.094 2.780 1.137 0.000 0.000 -0.000 3/23520 490.0 1.071 2.722 1.113 0.000 0.000 -0.000 3/23520 500.0 1.049 2.666 1.090 0.000 0.000 -0.000 3/23520 510.0 1.028 2.612 1.068 0.000 0.000 -0.000 3/23520 520.0 1.008 2.561 1.047 0.000 0.000 -0.000 3/23520 530.0 0.988 2.512 1.026 0.000 0.000 -0.000 3/23520 540.0 0.970 2.464 1.007 0.000 0.000 -0.000 3/23520 550.0 0.951 2.418 0.988 0.000 0.000 -0.000 3/23520 560.0 0.934 2.374 0.970 0.000 0.000 -0.000 3/23520 570.0 0.917 2.332 0.952 0.000 0.000 -0.000 3/23520 580.0 0.901 2.291 0.935 0.000 0.000 -0.000 3/23520 590.0 0.886 2.251 0.919 0.000 0.000 -0.000 3/23520 600.0 0.871 2.213 0.903 0.000 0.000 -0.000 3/23520 610.0 0.856 2.176 0.888 0.000 0.000 -0.000 3/23520 620.0 0.842 2.140 0.874 0.000 0.000 -0.000 3/23520 630.0 0.829 2.106 0.860 0.000 0.000 -0.000 3/23520 640.0 0.815 2.072 0.846 0.000 0.000 -0.000 3/23520 650.0 0.803 2.040 0.833 0.000 0.000 -0.000 3/23520 660.0 0.790 2.009 0.820 0.000 0.000 -0.000 3/23520 670.0 0.778 1.978 0.807 0.000 0.000 -0.000 3/23520 680.0 0.767 1.949 0.795 0.000 0.000 -0.000 3/23520 690.0 0.755 1.920 0.783 0.000 0.000 -0.000 3/23520 700.0 0.744 1.892 0.772 0.000 0.000 -0.000 3/23520 710.0 0.734 1.865 0.761 0.000 0.000 -0.000 3/23520 720.0 0.724 1.839 0.750 0.000 0.000 -0.000 3/23520 730.0 0.714 1.814 0.740 0.000 0.000 -0.000 3/23520 740.0 0.704 1.789 0.730 0.000 0.000 -0.000 3/23520 750.0 0.694 1.765 0.720 0.000 0.000 -0.000 3/23520 760.0 0.685 1.741 0.710 0.000 0.000 -0.000 3/23520 770.0 0.676 1.719 0.701 0.000 0.000 -0.000 3/23520 780.0 0.667 1.696 0.692 0.000 0.000 -0.000 3/23520 790.0 0.659 1.675 0.683 0.000 0.000 -0.000 3/23520 800.0 0.650 1.653 0.674 0.000 0.000 -0.000 3/23520 810.0 0.642 1.633 0.666 0.000 0.000 -0.000 3/23520 820.0 0.634 1.613 0.658 0.000 0.000 -0.000 3/23520 830.0 0.627 1.593 0.650 0.000 0.000 -0.000 3/23520 840.0 0.619 1.574 0.642 0.000 0.000 -0.000 3/23520 850.0 0.612 1.555 0.634 0.000 0.000 -0.000 3/23520 860.0 0.605 1.537 0.627 0.000 0.000 -0.000 3/23520 870.0 0.598 1.519 0.619 0.000 0.000 -0.000 3/23520 880.0 0.591 1.502 0.612 0.000 0.000 -0.000 3/23520 890.0 0.584 1.485 0.605 0.000 0.000 -0.000 3/23520 900.0 0.578 1.468 0.598 0.000 0.000 -0.000 3/23520 910.0 0.571 1.452 0.592 0.000 0.000 -0.000 3/23520 920.0 0.565 1.436 0.585 0.000 0.000 -0.000 3/23520 930.0 0.559 1.421 0.579 0.000 0.000 -0.000 3/23520 940.0 0.553 1.405 0.573 0.000 0.000 -0.000 3/23520 950.0 0.547 1.391 0.567 0.000 0.000 -0.000 3/23520 960.0 0.541 1.376 0.561 0.000 0.000 -0.000 3/23520 970.0 0.536 1.362 0.555 0.000 0.000 -0.000 3/23520 980.0 0.530 1.348 0.549 0.000 0.000 -0.000 3/23520 990.0 0.525 1.334 0.544 0.000 0.000 -0.000 3/23520 1000.0 0.519 1.321 0.538 0.000 0.000 -0.000 3/23520 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:22:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|