# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e592a5c3-c640-4481-8c13-0e6da8970ea4/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for SrDy2O4 / Pnma (62) / materials id 556075](https://mdr.nims.go.jp/datasets/7babee4e-6d19-42b4-a214-c98e94a7cb9a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 12:22:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 9.973325630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.394811190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841190610000000Atomic positions (fractional): *1 Sr 0.25139123518689 0.75000000000000 0.85029936515294 87.620 2 Sr 0.24860876481311 0.25000000000000 0.35029936515294 87.620 3 Sr 0.75139123518689 0.75000000000000 0.64970063484706 87.620 4 Sr 0.74860876481311 0.25000000000000 0.14970063484706 87.620 *5 Dy 0.57565701333208 0.25000000000000 0.88875681207520 162.500 *6 Dy 0.42016281316352 0.75000000000000 0.61116849867470 162.500 7 Dy 0.57983718683648 0.25000000000000 0.38883150132530 162.500 8 Dy 0.42434298666792 0.75000000000000 0.11124318792480 162.500 9 Dy 0.07565701333208 0.25000000000000 0.61124318792480 162.500 10 Dy 0.07983718683648 0.25000000000000 0.11116849867470 162.500 11 Dy 0.92016281316352 0.75000000000000 0.88883150132530 162.500 12 Dy 0.92434298666792 0.75000000000000 0.38875681207520 162.500 *13 O 0.37269044510208 0.25000000000000 0.98122951723840 15.999 *14 O 0.98734417958362 0.25000000000000 0.28344281077521 15.999 *15 O 0.57296217888270 0.25000000000000 0.57844263295628 15.999 16 O 0.92703782111730 0.75000000000000 0.07844263295628 15.999 *17 O 0.21277380427086 0.75000000000000 0.17627135731312 15.999 18 O 0.12730955489792 0.75000000000000 0.48122951723840 15.999 19 O 0.28722619572914 0.25000000000000 0.67627135731312 15.999 20 O 0.48734417958362 0.25000000000000 0.21655718922479 15.999 21 O 0.07296217888270 0.25000000000000 0.92155736704372 15.999 22 O 0.71277380427086 0.75000000000000 0.32372864268688 15.999 23 O 0.01265582041638 0.75000000000000 0.71655718922479 15.999 24 O 0.42703782111730 0.75000000000000 0.42155736704372 15.999 25 O 0.62730955489792 0.75000000000000 0.01877048276160 15.999 26 O 0.51265582041638 0.75000000000000 0.78344281077521 15.999 27 O 0.87269044510208 0.25000000000000 0.51877048276160 15.999 28 O 0.78722619572914 0.25000000000000 0.82372864268688 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.973325630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.394811190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841190610000000Atomic positions (fractional): *1 Sr 0.25139123518689 0.75000000000000 0.85029936515294 87.620 > 1 2 Sr 0.24860876481311 0.25000000000000 0.35029936515294 87.620 > 2 3 Sr 0.75139123518689 0.75000000000000 0.64970063484706 87.620 > 3 4 Sr 0.74860876481311 0.25000000000000 0.14970063484706 87.620 > 4 *5 Dy 0.57565701333208 0.25000000000000 0.88875681207520 162.500 > 5 *6 Dy 0.42016281316352 0.75000000000000 0.61116849867470 162.500 > 6 7 Dy 0.57983718683648 0.25000000000000 0.38883150132530 162.500 > 7 8 Dy 0.42434298666792 0.75000000000000 0.11124318792480 162.500 > 8 9 Dy 0.07565701333208 0.25000000000000 0.61124318792480 162.500 > 9 10 Dy 0.07983718683648 0.25000000000000 0.11116849867470 162.500 > 10 11 Dy 0.92016281316352 0.75000000000000 0.88883150132530 162.500 > 11 12 Dy 0.92434298666792 0.75000000000000 0.38875681207520 162.500 > 12 *13 O 0.37269044510208 0.25000000000000 0.98122951723840 15.999 > 13 *14 O 0.98734417958362 0.25000000000000 0.28344281077521 15.999 > 14 *15 O 0.57296217888270 0.25000000000000 0.57844263295628 15.999 > 15 16 O 0.92703782111730 0.75000000000000 0.07844263295628 15.999 > 16 *17 O 0.21277380427086 0.75000000000000 0.17627135731312 15.999 > 17 18 O 0.12730955489792 0.75000000000000 0.48122951723840 15.999 > 18 19 O 0.28722619572914 0.25000000000000 0.67627135731312 15.999 > 19 20 O 0.48734417958362 0.25000000000000 0.21655718922479 15.999 > 20 21 O 0.07296217888270 0.25000000000000 0.92155736704372 15.999 > 21 22 O 0.71277380427086 0.75000000000000 0.32372864268688 15.999 > 22 23 O 0.01265582041638 0.75000000000000 0.71655718922479 15.999 > 23 24 O 0.42703782111730 0.75000000000000 0.42155736704372 15.999 > 24 25 O 0.62730955489792 0.75000000000000 0.01877048276160 15.999 > 25 26 O 0.51265582041638 0.75000000000000 0.78344281077521 15.999 > 26 27 O 0.87269044510208 0.25000000000000 0.51877048276160 15.999 > 27 28 O 0.78722619572914 0.25000000000000 0.82372864268688 15.999 > 28-------------------------------- super cell --------------------------------Lattice vectors: a 9.973325630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.184433569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841190610000000Atomic positions (fractional): *1 Sr 0.25139123518689 0.25000000000000 0.85029936515294 87.620 > 1 2 Sr 0.25139123518689 0.58333333333333 0.85029936515294 87.620 > 1 3 Sr 0.25139123518689 0.91666666666667 0.85029936515294 87.620 > 1 4 Sr 0.24860876481311 0.08333333333333 0.35029936515294 87.620 > 2 5 Sr 0.24860876481311 0.41666666666667 0.35029936515294 87.620 > 2 6 Sr 0.24860876481311 0.75000000000000 0.35029936515294 87.620 > 2 7 Sr 0.75139123518689 0.25000000000000 0.64970063484706 87.620 > 3 8 Sr 0.75139123518689 0.58333333333333 0.64970063484706 87.620 > 3 9 Sr 0.75139123518689 0.91666666666667 0.64970063484706 87.620 > 3 10 Sr 0.74860876481311 0.08333333333333 0.14970063484706 87.620 > 4 11 Sr 0.74860876481311 0.41666666666667 0.14970063484706 87.620 > 4 12 Sr 0.74860876481311 0.75000000000000 0.14970063484706 87.620 > 4 *13 Dy 0.57565701333208 0.08333333333333 0.88875681207520 162.500 > 5 14 Dy 0.57565701333208 0.41666666666667 0.88875681207520 162.500 > 5 15 Dy 0.57565701333208 0.75000000000000 0.88875681207520 162.500 > 5 *16 Dy 0.42016281316352 0.25000000000000 0.61116849867470 162.500 > 6 17 Dy 0.42016281316352 0.58333333333333 0.61116849867470 162.500 > 6 18 Dy 0.42016281316352 0.91666666666667 0.61116849867470 162.500 > 6 19 Dy 0.57983718683648 0.08333333333333 0.38883150132530 162.500 > 7 20 Dy 0.57983718683648 0.41666666666667 0.38883150132530 162.500 > 7 21 Dy 0.57983718683648 0.75000000000000 0.38883150132530 162.500 > 7 22 Dy 0.42434298666792 0.25000000000000 0.11124318792480 162.500 > 8 23 Dy 0.42434298666792 0.58333333333333 0.11124318792480 162.500 > 8 24 Dy 0.42434298666792 0.91666666666667 0.11124318792480 162.500 > 8 25 Dy 0.07565701333208 0.08333333333333 0.61124318792480 162.500 > 9 26 Dy 0.07565701333208 0.41666666666667 0.61124318792480 162.500 > 9 27 Dy 0.07565701333208 0.75000000000000 0.61124318792480 162.500 > 9 28 Dy 0.07983718683648 0.08333333333333 0.11116849867470 162.500 > 10 29 Dy 0.07983718683648 0.41666666666667 0.11116849867470 162.500 > 10 30 Dy 0.07983718683648 0.75000000000000 0.11116849867470 162.500 > 10 31 Dy 0.92016281316352 0.25000000000000 0.88883150132530 162.500 > 11 32 Dy 0.92016281316352 0.58333333333333 0.88883150132530 162.500 > 11 33 Dy 0.92016281316352 0.91666666666667 0.88883150132530 162.500 > 11 34 Dy 0.92434298666792 0.25000000000000 0.38875681207520 162.500 > 12 35 Dy 0.92434298666792 0.58333333333333 0.38875681207520 162.500 > 12 36 Dy 0.92434298666792 0.91666666666667 0.38875681207520 162.500 > 12 *37 O 0.37269044510208 0.08333333333333 0.98122951723840 15.999 > 13 38 O 0.37269044510208 0.41666666666667 0.98122951723840 15.999 > 13 39 O 0.37269044510208 0.75000000000000 0.98122951723840 15.999 > 13 *40 O 0.98734417958362 0.08333333333333 0.28344281077521 15.999 > 14 41 O 0.98734417958362 0.41666666666667 0.28344281077521 15.999 > 14 42 O 0.98734417958362 0.75000000000000 0.28344281077521 15.999 > 14 *43 O 0.57296217888270 0.08333333333333 0.57844263295628 15.999 > 15 44 O 0.57296217888270 0.41666666666667 0.57844263295628 15.999 > 15 45 O 0.57296217888270 0.75000000000000 0.57844263295628 15.999 > 15 46 O 0.92703782111730 0.25000000000000 0.07844263295628 15.999 > 16 47 O 0.92703782111730 0.58333333333333 0.07844263295628 15.999 > 16 48 O 0.92703782111730 0.91666666666667 0.07844263295628 15.999 > 16 *49 O 0.21277380427086 0.25000000000000 0.17627135731312 15.999 > 17 50 O 0.21277380427086 0.58333333333333 0.17627135731312 15.999 > 17 51 O 0.21277380427086 0.91666666666667 0.17627135731312 15.999 > 17 52 O 0.12730955489792 0.25000000000000 0.48122951723840 15.999 > 18 53 O 0.12730955489792 0.58333333333333 0.48122951723840 15.999 > 18 54 O 0.12730955489792 0.91666666666667 0.48122951723840 15.999 > 18 55 O 0.28722619572914 0.08333333333333 0.67627135731312 15.999 > 19 56 O 0.28722619572914 0.41666666666667 0.67627135731312 15.999 > 19 57 O 0.28722619572914 0.75000000000000 0.67627135731312 15.999 > 19 58 O 0.48734417958362 0.08333333333333 0.21655718922479 15.999 > 20 59 O 0.48734417958362 0.41666666666667 0.21655718922479 15.999 > 20 60 O 0.48734417958362 0.75000000000000 0.21655718922479 15.999 > 20 61 O 0.07296217888270 0.08333333333333 0.92155736704372 15.999 > 21 62 O 0.07296217888270 0.41666666666667 0.92155736704372 15.999 > 21 63 O 0.07296217888270 0.75000000000000 0.92155736704372 15.999 > 21 64 O 0.71277380427086 0.25000000000000 0.32372864268688 15.999 > 22 65 O 0.71277380427086 0.58333333333333 0.32372864268688 15.999 > 22 66 O 0.71277380427086 0.91666666666667 0.32372864268688 15.999 > 22 67 O 0.01265582041638 0.25000000000000 0.71655718922479 15.999 > 23 68 O 0.01265582041638 0.58333333333333 0.71655718922479 15.999 > 23 69 O 0.01265582041638 0.91666666666667 0.71655718922479 15.999 > 23 70 O 0.42703782111730 0.25000000000000 0.42155736704372 15.999 > 24 71 O 0.42703782111730 0.58333333333333 0.42155736704372 15.999 > 24 72 O 0.42703782111730 0.91666666666667 0.42155736704372 15.999 > 24 73 O 0.62730955489792 0.25000000000000 0.01877048276160 15.999 > 25 74 O 0.62730955489792 0.58333333333333 0.01877048276160 15.999 > 25 75 O 0.62730955489792 0.91666666666667 0.01877048276160 15.999 > 25 76 O 0.51265582041638 0.25000000000000 0.78344281077521 15.999 > 26 77 O 0.51265582041638 0.58333333333333 0.78344281077521 15.999 > 26 78 O 0.51265582041638 0.91666666666667 0.78344281077521 15.999 > 26 79 O 0.87269044510208 0.08333333333333 0.51877048276160 15.999 > 27 80 O 0.87269044510208 0.41666666666667 0.51877048276160 15.999 > 27 81 O 0.87269044510208 0.75000000000000 0.51877048276160 15.999 > 27 82 O 0.78722619572914 0.08333333333333 0.82372864268688 15.999 > 28 83 O 0.78722619572914 0.41666666666667 0.82372864268688 15.999 > 28 84 O 0.78722619572914 0.75000000000000 0.82372864268688 15.999 > 28----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1667905 0.0000000 0.0000000 0.0000000 4.3990030 0.0000000 0.0000000 0.0000000 4.2695074-------------------------- Born effective charges -------------------------- 1 Sr 2.6213594 0.0000000 0.0605143 0.0000000 2.3925640 0.0000000 0.0361691 0.0000000 2.4751887 2 Sr 2.6213594 0.0000000 -0.0605143 0.0000000 2.3925640 0.0000000 -0.0361691 0.0000000 2.4751887 3 Sr 2.6213594 0.0000000 -0.0605143 0.0000000 2.3925640 0.0000000 -0.0361691 0.0000000 2.4751887 4 Sr 2.6213594 0.0000000 0.0605143 0.0000000 2.3925640 0.0000000 0.0361691 0.0000000 2.4751887 5 Dy 3.5264569 0.0000000 -0.2266901 0.0000000 4.2446552 0.0000000 -0.1180943 0.0000000 3.5791140 6 Dy 3.4757684 0.0000000 -0.1977927 0.0000000 4.0181738 0.0000000 -0.0822104 0.0000000 4.0260345 7 Dy 3.4757684 0.0000000 -0.1977927 0.0000000 4.0181738 0.0000000 -0.0822104 0.0000000 4.0260345 8 Dy 3.5264569 0.0000000 -0.2266901 0.0000000 4.2446552 0.0000000 -0.1180943 0.0000000 3.5791140 9 Dy 3.5264569 0.0000000 0.2266901 0.0000000 4.2446552 0.0000000 0.1180943 0.0000000 3.5791140 10 Dy 3.4757684 0.0000000 0.1977927 0.0000000 4.0181738 0.0000000 0.0822104 0.0000000 4.0260345 11 Dy 3.4757684 0.0000000 0.1977927 0.0000000 4.0181738 0.0000000 0.0822104 0.0000000 4.0260345 12 Dy 3.5264569 0.0000000 0.2266901 0.0000000 4.2446552 0.0000000 0.1180943 0.0000000 3.5791140 13 O -2.3775867 0.0000000 -0.0144705 0.0000000 -2.6354236 0.0000000 0.0310370 0.0000000 -2.5056104 14 O -1.9829820 0.0000000 0.4209909 0.0000000 -2.6385170 0.0000000 0.5790591 0.0000000 -3.0475685 15 O -2.3619302 0.0000000 0.0133525 0.0000000 -2.6982635 0.0000000 0.1222641 0.0000000 -2.4691307 16 O -2.3619302 0.0000000 -0.0133525 0.0000000 -2.6982635 0.0000000 -0.1222641 0.0000000 -2.4691307 17 O -2.9010858 0.0000000 -0.0470737 0.0000000 -2.6831888 0.0000000 -0.0587028 0.0000000 -2.0580276 18 O -2.3775867 0.0000000 0.0144705 0.0000000 -2.6354236 0.0000000 -0.0310370 0.0000000 -2.5056104 19 O -2.9010858 0.0000000 0.0470737 0.0000000 -2.6831888 0.0000000 0.0587028 0.0000000 -2.0580276 20 O -1.9829820 0.0000000 -0.4209909 0.0000000 -2.6385170 0.0000000 -0.5790591 0.0000000 -3.0475685 21 O -2.3619302 0.0000000 -0.0133525 0.0000000 -2.6982635 0.0000000 -0.1222641 0.0000000 -2.4691307 22 O -2.9010858 0.0000000 0.0470737 0.0000000 -2.6831888 0.0000000 0.0587028 0.0000000 -2.0580276 23 O -1.9829820 0.0000000 0.4209909 0.0000000 -2.6385170 0.0000000 0.5790591 0.0000000 -3.0475685 24 O -2.3619302 0.0000000 0.0133525 0.0000000 -2.6982635 0.0000000 0.1222641 0.0000000 -2.4691307 25 O -2.3775867 0.0000000 -0.0144705 0.0000000 -2.6354236 0.0000000 0.0310370 0.0000000 -2.5056104 26 O -1.9829820 0.0000000 -0.4209909 0.0000000 -2.6385170 0.0000000 -0.5790591 0.0000000 -3.0475685 27 O -2.3775867 0.0000000 0.0144705 0.0000000 -2.6354236 0.0000000 -0.0310370 0.0000000 -2.5056104 28 O -2.9010858 0.0000000 -0.0470737 0.0000000 -2.6831888 0.0000000 -0.0587028 0.0000000 -2.0580276----------------------------------------------------------------------------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: 252/252Permutation basis: 10794/10794Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1456Number of blocks in projector: 1456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 392Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 196Use 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 / 84Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 480 - Time: 1.583Solver_block: 200 / 480 - Time: 1.464Solver_block: 300 / 480 - Time: 1.426Solver_block: 400 / 480 - Time: 1.453Solver_block: 480 / 480 - Time: 1.189Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.233--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252Permutation basis: 10794/10794Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1456Number of blocks in projector: 1456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 392Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 196Use 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: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 12:23:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 12:23:15]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.973325630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.394811190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841190610000000Atomic positions (fractional): 1 Sr 0.25139123518689 0.75000000000000 0.85029936515294 87.620 2 Sr 0.24860876481311 0.25000000000000 0.35029936515294 87.620 3 Sr 0.75139123518689 0.75000000000000 0.64970063484706 87.620 4 Sr 0.74860876481311 0.25000000000000 0.14970063484706 87.620 5 Dy 0.57565701333208 0.25000000000000 0.88875681207520 162.500 6 Dy 0.42016281316352 0.75000000000000 0.61116849867470 162.500 7 Dy 0.57983718683648 0.25000000000000 0.38883150132530 162.500 8 Dy 0.42434298666792 0.75000000000000 0.11124318792480 162.500 9 Dy 0.07565701333208 0.25000000000000 0.61124318792480 162.500 10 Dy 0.07983718683648 0.25000000000000 0.11116849867470 162.500 11 Dy 0.92016281316352 0.75000000000000 0.88883150132530 162.500 12 Dy 0.92434298666792 0.75000000000000 0.38875681207520 162.500 13 O 0.37269044510208 0.25000000000000 0.98122951723840 15.999 14 O 0.98734417958362 0.25000000000000 0.28344281077521 15.999 15 O 0.57296217888270 0.25000000000000 0.57844263295628 15.999 16 O 0.92703782111730 0.75000000000000 0.07844263295628 15.999 17 O 0.21277380427086 0.75000000000000 0.17627135731312 15.999 18 O 0.12730955489792 0.75000000000000 0.48122951723840 15.999 19 O 0.28722619572914 0.25000000000000 0.67627135731312 15.999 20 O 0.48734417958362 0.25000000000000 0.21655718922479 15.999 21 O 0.07296217888270 0.25000000000000 0.92155736704372 15.999 22 O 0.71277380427086 0.75000000000000 0.32372864268688 15.999 23 O 0.01265582041638 0.75000000000000 0.71655718922479 15.999 24 O 0.42703782111730 0.75000000000000 0.42155736704372 15.999 25 O 0.62730955489792 0.75000000000000 0.01877048276160 15.999 26 O 0.51265582041638 0.75000000000000 0.78344281077521 15.999 27 O 0.87269044510208 0.25000000000000 0.51877048276160 15.999 28 O 0.78722619572914 0.25000000000000 0.82372864268688 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.973325630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.184433569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841190610000000Atomic positions (fractional): 1 Sr 0.25139123518689 0.25000000000000 0.85029936515294 87.620 > 1 2 Sr 0.25139123518689 0.58333333333333 0.85029936515294 87.620 > 1 3 Sr 0.25139123518689 0.91666666666667 0.85029936515294 87.620 > 1 4 Sr 0.24860876481311 0.08333333333333 0.35029936515294 87.620 > 4 5 Sr 0.24860876481311 0.41666666666667 0.35029936515294 87.620 > 4 6 Sr 0.24860876481311 0.75000000000000 0.35029936515294 87.620 > 4 7 Sr 0.75139123518689 0.25000000000000 0.64970063484706 87.620 > 7 8 Sr 0.75139123518689 0.58333333333333 0.64970063484706 87.620 > 7 9 Sr 0.75139123518689 0.91666666666667 0.64970063484706 87.620 > 7 10 Sr 0.74860876481311 0.08333333333333 0.14970063484706 87.620 > 10 11 Sr 0.74860876481311 0.41666666666667 0.14970063484706 87.620 > 10 12 Sr 0.74860876481311 0.75000000000000 0.14970063484706 87.620 > 10 13 Dy 0.57565701333208 0.08333333333333 0.88875681207520 162.500 > 13 14 Dy 0.57565701333208 0.41666666666667 0.88875681207520 162.500 > 13 15 Dy 0.57565701333208 0.75000000000000 0.88875681207520 162.500 > 13 16 Dy 0.42016281316352 0.25000000000000 0.61116849867470 162.500 > 16 17 Dy 0.42016281316352 0.58333333333333 0.61116849867470 162.500 > 16 18 Dy 0.42016281316352 0.91666666666667 0.61116849867470 162.500 > 16 19 Dy 0.57983718683648 0.08333333333333 0.38883150132530 162.500 > 19 20 Dy 0.57983718683648 0.41666666666667 0.38883150132530 162.500 > 19 21 Dy 0.57983718683648 0.75000000000000 0.38883150132530 162.500 > 19 22 Dy 0.42434298666792 0.25000000000000 0.11124318792480 162.500 > 22 23 Dy 0.42434298666792 0.58333333333333 0.11124318792480 162.500 > 22 24 Dy 0.42434298666792 0.91666666666667 0.11124318792480 162.500 > 22 25 Dy 0.07565701333208 0.08333333333333 0.61124318792480 162.500 > 25 26 Dy 0.07565701333208 0.41666666666667 0.61124318792480 162.500 > 25 27 Dy 0.07565701333208 0.75000000000000 0.61124318792480 162.500 > 25 28 Dy 0.07983718683648 0.08333333333333 0.11116849867470 162.500 > 28 29 Dy 0.07983718683648 0.41666666666667 0.11116849867470 162.500 > 28 30 Dy 0.07983718683648 0.75000000000000 0.11116849867470 162.500 > 28 31 Dy 0.92016281316352 0.25000000000000 0.88883150132530 162.500 > 31 32 Dy 0.92016281316352 0.58333333333333 0.88883150132530 162.500 > 31 33 Dy 0.92016281316352 0.91666666666667 0.88883150132530 162.500 > 31 34 Dy 0.92434298666792 0.25000000000000 0.38875681207520 162.500 > 34 35 Dy 0.92434298666792 0.58333333333333 0.38875681207520 162.500 > 34 36 Dy 0.92434298666792 0.91666666666667 0.38875681207520 162.500 > 34 37 O 0.37269044510208 0.08333333333333 0.98122951723840 15.999 > 37 38 O 0.37269044510208 0.41666666666667 0.98122951723840 15.999 > 37 39 O 0.37269044510208 0.75000000000000 0.98122951723840 15.999 > 37 40 O 0.98734417958362 0.08333333333333 0.28344281077521 15.999 > 40 41 O 0.98734417958362 0.41666666666667 0.28344281077521 15.999 > 40 42 O 0.98734417958362 0.75000000000000 0.28344281077521 15.999 > 40 43 O 0.57296217888270 0.08333333333333 0.57844263295628 15.999 > 43 44 O 0.57296217888270 0.41666666666667 0.57844263295628 15.999 > 43 45 O 0.57296217888270 0.75000000000000 0.57844263295628 15.999 > 43 46 O 0.92703782111730 0.25000000000000 0.07844263295628 15.999 > 46 47 O 0.92703782111730 0.58333333333333 0.07844263295628 15.999 > 46 48 O 0.92703782111730 0.91666666666667 0.07844263295628 15.999 > 46 49 O 0.21277380427086 0.25000000000000 0.17627135731312 15.999 > 49 50 O 0.21277380427086 0.58333333333333 0.17627135731312 15.999 > 49 51 O 0.21277380427086 0.91666666666667 0.17627135731312 15.999 > 49 52 O 0.12730955489792 0.25000000000000 0.48122951723840 15.999 > 52 53 O 0.12730955489792 0.58333333333333 0.48122951723840 15.999 > 52 54 O 0.12730955489792 0.91666666666667 0.48122951723840 15.999 > 52 55 O 0.28722619572914 0.08333333333333 0.67627135731312 15.999 > 55 56 O 0.28722619572914 0.41666666666667 0.67627135731312 15.999 > 55 57 O 0.28722619572914 0.75000000000000 0.67627135731312 15.999 > 55 58 O 0.48734417958362 0.08333333333333 0.21655718922479 15.999 > 58 59 O 0.48734417958362 0.41666666666667 0.21655718922479 15.999 > 58 60 O 0.48734417958362 0.75000000000000 0.21655718922479 15.999 > 58 61 O 0.07296217888270 0.08333333333333 0.92155736704372 15.999 > 61 62 O 0.07296217888270 0.41666666666667 0.92155736704372 15.999 > 61 63 O 0.07296217888270 0.75000000000000 0.92155736704372 15.999 > 61 64 O 0.71277380427086 0.25000000000000 0.32372864268688 15.999 > 64 65 O 0.71277380427086 0.58333333333333 0.32372864268688 15.999 > 64 66 O 0.71277380427086 0.91666666666667 0.32372864268688 15.999 > 64 67 O 0.01265582041638 0.25000000000000 0.71655718922479 15.999 > 67 68 O 0.01265582041638 0.58333333333333 0.71655718922479 15.999 > 67 69 O 0.01265582041638 0.91666666666667 0.71655718922479 15.999 > 67 70 O 0.42703782111730 0.25000000000000 0.42155736704372 15.999 > 70 71 O 0.42703782111730 0.58333333333333 0.42155736704372 15.999 > 70 72 O 0.42703782111730 0.91666666666667 0.42155736704372 15.999 > 70 73 O 0.62730955489792 0.25000000000000 0.01877048276160 15.999 > 73 74 O 0.62730955489792 0.58333333333333 0.01877048276160 15.999 > 73 75 O 0.62730955489792 0.91666666666667 0.01877048276160 15.999 > 73 76 O 0.51265582041638 0.25000000000000 0.78344281077521 15.999 > 76 77 O 0.51265582041638 0.58333333333333 0.78344281077521 15.999 > 76 78 O 0.51265582041638 0.91666666666667 0.78344281077521 15.999 > 76 79 O 0.87269044510208 0.08333333333333 0.51877048276160 15.999 > 79 80 O 0.87269044510208 0.41666666666667 0.51877048276160 15.999 > 79 81 O 0.87269044510208 0.75000000000000 0.51877048276160 15.999 > 79 82 O 0.78722619572914 0.08333333333333 0.82372864268688 15.999 > 82 83 O 0.78722619572914 0.41666666666667 0.82372864268688 15.999 > 82 84 O 0.78722619572914 0.75000000000000 0.82372864268688 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1667905 0.0000000 0.0000000 0.0000000 4.3990030 0.0000000 0.0000000 0.0000000 4.2695074-------------------------- Born effective charges -------------------------- 1 Sr 2.6213594 0.0000000 0.0605143 0.0000000 2.3925640 0.0000000 0.0361691 0.0000000 2.4751887 2 Sr 2.6213594 0.0000000 -0.0605143 0.0000000 2.3925640 0.0000000 -0.0361691 0.0000000 2.4751887 3 Sr 2.6213594 0.0000000 -0.0605143 0.0000000 2.3925640 0.0000000 -0.0361691 0.0000000 2.4751887 4 Sr 2.6213594 0.0000000 0.0605143 0.0000000 2.3925640 0.0000000 0.0361691 0.0000000 2.4751887 5 Dy 3.5264569 0.0000000 -0.2266901 0.0000000 4.2446552 0.0000000 -0.1180943 0.0000000 3.5791140 6 Dy 3.4757684 0.0000000 -0.1977927 0.0000000 4.0181738 0.0000000 -0.0822104 0.0000000 4.0260345 7 Dy 3.4757684 0.0000000 -0.1977927 0.0000000 4.0181738 0.0000000 -0.0822104 0.0000000 4.0260345 8 Dy 3.5264569 0.0000000 -0.2266901 0.0000000 4.2446552 0.0000000 -0.1180943 0.0000000 3.5791140 9 Dy 3.5264569 0.0000000 0.2266901 0.0000000 4.2446552 0.0000000 0.1180943 0.0000000 3.5791140 10 Dy 3.4757684 0.0000000 0.1977927 0.0000000 4.0181738 0.0000000 0.0822104 0.0000000 4.0260345 11 Dy 3.4757684 0.0000000 0.1977927 0.0000000 4.0181738 0.0000000 0.0822104 0.0000000 4.0260345 12 Dy 3.5264569 0.0000000 0.2266901 0.0000000 4.2446552 0.0000000 0.1180943 0.0000000 3.5791140 13 O -2.3775867 0.0000000 -0.0144705 0.0000000 -2.6354236 0.0000000 0.0310370 0.0000000 -2.5056104 14 O -1.9829820 0.0000000 0.4209909 0.0000000 -2.6385170 0.0000000 0.5790591 0.0000000 -3.0475685 15 O -2.3619302 0.0000000 0.0133525 0.0000000 -2.6982635 0.0000000 0.1222641 0.0000000 -2.4691307 16 O -2.3619302 0.0000000 -0.0133525 0.0000000 -2.6982635 0.0000000 -0.1222641 0.0000000 -2.4691307 17 O -2.9010858 0.0000000 -0.0470737 0.0000000 -2.6831888 0.0000000 -0.0587028 0.0000000 -2.0580276 18 O -2.3775867 0.0000000 0.0144705 0.0000000 -2.6354236 0.0000000 -0.0310370 0.0000000 -2.5056104 19 O -2.9010858 0.0000000 0.0470737 0.0000000 -2.6831888 0.0000000 0.0587028 0.0000000 -2.0580276 20 O -1.9829820 0.0000000 -0.4209909 0.0000000 -2.6385170 0.0000000 -0.5790591 0.0000000 -3.0475685 21 O -2.3619302 0.0000000 -0.0133525 0.0000000 -2.6982635 0.0000000 -0.1222641 0.0000000 -2.4691307 22 O -2.9010858 0.0000000 0.0470737 0.0000000 -2.6831888 0.0000000 0.0587028 0.0000000 -2.0580276 23 O -1.9829820 0.0000000 0.4209909 0.0000000 -2.6385170 0.0000000 0.5790591 0.0000000 -3.0475685 24 O -2.3619302 0.0000000 0.0133525 0.0000000 -2.6982635 0.0000000 0.1222641 0.0000000 -2.4691307 25 O -2.3775867 0.0000000 -0.0144705 0.0000000 -2.6354236 0.0000000 0.0310370 0.0000000 -2.5056104 26 O -1.9829820 0.0000000 -0.4209909 0.0000000 -2.6385170 0.0000000 -0.5790591 0.0000000 -3.0475685 27 O -2.3775867 0.0000000 0.0144705 0.0000000 -2.6354236 0.0000000 -0.0310370 0.0000000 -2.5056104 28 O -2.9010858 0.0000000 -0.0470737 0.0000000 -2.6831888 0.0000000 -0.0587028 0.0000000 -2.0580276----------------------------------------------------------------------------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[ 16, 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[ 40, 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[ 43, 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 12:23:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 12:23:31]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.973325630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.394811190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841190610000000Atomic positions (fractional): 1 Sr 0.25139123518689 0.75000000000000 0.85029936515294 87.620 2 Sr 0.24860876481311 0.25000000000000 0.35029936515294 87.620 3 Sr 0.75139123518689 0.75000000000000 0.64970063484706 87.620 4 Sr 0.74860876481311 0.25000000000000 0.14970063484706 87.620 5 Dy 0.57565701333208 0.25000000000000 0.88875681207520 162.500 6 Dy 0.42016281316352 0.75000000000000 0.61116849867470 162.500 7 Dy 0.57983718683648 0.25000000000000 0.38883150132530 162.500 8 Dy 0.42434298666792 0.75000000000000 0.11124318792480 162.500 9 Dy 0.07565701333208 0.25000000000000 0.61124318792480 162.500 10 Dy 0.07983718683648 0.25000000000000 0.11116849867470 162.500 11 Dy 0.92016281316352 0.75000000000000 0.88883150132530 162.500 12 Dy 0.92434298666792 0.75000000000000 0.38875681207520 162.500 13 O 0.37269044510208 0.25000000000000 0.98122951723840 15.999 14 O 0.98734417958362 0.25000000000000 0.28344281077521 15.999 15 O 0.57296217888270 0.25000000000000 0.57844263295628 15.999 16 O 0.92703782111730 0.75000000000000 0.07844263295628 15.999 17 O 0.21277380427086 0.75000000000000 0.17627135731312 15.999 18 O 0.12730955489792 0.75000000000000 0.48122951723840 15.999 19 O 0.28722619572914 0.25000000000000 0.67627135731312 15.999 20 O 0.48734417958362 0.25000000000000 0.21655718922479 15.999 21 O 0.07296217888270 0.25000000000000 0.92155736704372 15.999 22 O 0.71277380427086 0.75000000000000 0.32372864268688 15.999 23 O 0.01265582041638 0.75000000000000 0.71655718922479 15.999 24 O 0.42703782111730 0.75000000000000 0.42155736704372 15.999 25 O 0.62730955489792 0.75000000000000 0.01877048276160 15.999 26 O 0.51265582041638 0.75000000000000 0.78344281077521 15.999 27 O 0.87269044510208 0.25000000000000 0.51877048276160 15.999 28 O 0.78722619572914 0.25000000000000 0.82372864268688 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.973325630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.184433569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841190610000000Atomic positions (fractional): 1 Sr 0.25139123518689 0.25000000000000 0.85029936515294 87.620 > 1 2 Sr 0.25139123518689 0.58333333333333 0.85029936515294 87.620 > 1 3 Sr 0.25139123518689 0.91666666666667 0.85029936515294 87.620 > 1 4 Sr 0.24860876481311 0.08333333333333 0.35029936515294 87.620 > 4 5 Sr 0.24860876481311 0.41666666666667 0.35029936515294 87.620 > 4 6 Sr 0.24860876481311 0.75000000000000 0.35029936515294 87.620 > 4 7 Sr 0.75139123518689 0.25000000000000 0.64970063484706 87.620 > 7 8 Sr 0.75139123518689 0.58333333333333 0.64970063484706 87.620 > 7 9 Sr 0.75139123518689 0.91666666666667 0.64970063484706 87.620 > 7 10 Sr 0.74860876481311 0.08333333333333 0.14970063484706 87.620 > 10 11 Sr 0.74860876481311 0.41666666666667 0.14970063484706 87.620 > 10 12 Sr 0.74860876481311 0.75000000000000 0.14970063484706 87.620 > 10 13 Dy 0.57565701333208 0.08333333333333 0.88875681207520 162.500 > 13 14 Dy 0.57565701333208 0.41666666666667 0.88875681207520 162.500 > 13 15 Dy 0.57565701333208 0.75000000000000 0.88875681207520 162.500 > 13 16 Dy 0.42016281316352 0.25000000000000 0.61116849867470 162.500 > 16 17 Dy 0.42016281316352 0.58333333333333 0.61116849867470 162.500 > 16 18 Dy 0.42016281316352 0.91666666666667 0.61116849867470 162.500 > 16 19 Dy 0.57983718683648 0.08333333333333 0.38883150132530 162.500 > 19 20 Dy 0.57983718683648 0.41666666666667 0.38883150132530 162.500 > 19 21 Dy 0.57983718683648 0.75000000000000 0.38883150132530 162.500 > 19 22 Dy 0.42434298666792 0.25000000000000 0.11124318792480 162.500 > 22 23 Dy 0.42434298666792 0.58333333333333 0.11124318792480 162.500 > 22 24 Dy 0.42434298666792 0.91666666666667 0.11124318792480 162.500 > 22 25 Dy 0.07565701333208 0.08333333333333 0.61124318792480 162.500 > 25 26 Dy 0.07565701333208 0.41666666666667 0.61124318792480 162.500 > 25 27 Dy 0.07565701333208 0.75000000000000 0.61124318792480 162.500 > 25 28 Dy 0.07983718683648 0.08333333333333 0.11116849867470 162.500 > 28 29 Dy 0.07983718683648 0.41666666666667 0.11116849867470 162.500 > 28 30 Dy 0.07983718683648 0.75000000000000 0.11116849867470 162.500 > 28 31 Dy 0.92016281316352 0.25000000000000 0.88883150132530 162.500 > 31 32 Dy 0.92016281316352 0.58333333333333 0.88883150132530 162.500 > 31 33 Dy 0.92016281316352 0.91666666666667 0.88883150132530 162.500 > 31 34 Dy 0.92434298666792 0.25000000000000 0.38875681207520 162.500 > 34 35 Dy 0.92434298666792 0.58333333333333 0.38875681207520 162.500 > 34 36 Dy 0.92434298666792 0.91666666666667 0.38875681207520 162.500 > 34 37 O 0.37269044510208 0.08333333333333 0.98122951723840 15.999 > 37 38 O 0.37269044510208 0.41666666666667 0.98122951723840 15.999 > 37 39 O 0.37269044510208 0.75000000000000 0.98122951723840 15.999 > 37 40 O 0.98734417958362 0.08333333333333 0.28344281077521 15.999 > 40 41 O 0.98734417958362 0.41666666666667 0.28344281077521 15.999 > 40 42 O 0.98734417958362 0.75000000000000 0.28344281077521 15.999 > 40 43 O 0.57296217888270 0.08333333333333 0.57844263295628 15.999 > 43 44 O 0.57296217888270 0.41666666666667 0.57844263295628 15.999 > 43 45 O 0.57296217888270 0.75000000000000 0.57844263295628 15.999 > 43 46 O 0.92703782111730 0.25000000000000 0.07844263295628 15.999 > 46 47 O 0.92703782111730 0.58333333333333 0.07844263295628 15.999 > 46 48 O 0.92703782111730 0.91666666666667 0.07844263295628 15.999 > 46 49 O 0.21277380427086 0.25000000000000 0.17627135731312 15.999 > 49 50 O 0.21277380427086 0.58333333333333 0.17627135731312 15.999 > 49 51 O 0.21277380427086 0.91666666666667 0.17627135731312 15.999 > 49 52 O 0.12730955489792 0.25000000000000 0.48122951723840 15.999 > 52 53 O 0.12730955489792 0.58333333333333 0.48122951723840 15.999 > 52 54 O 0.12730955489792 0.91666666666667 0.48122951723840 15.999 > 52 55 O 0.28722619572914 0.08333333333333 0.67627135731312 15.999 > 55 56 O 0.28722619572914 0.41666666666667 0.67627135731312 15.999 > 55 57 O 0.28722619572914 0.75000000000000 0.67627135731312 15.999 > 55 58 O 0.48734417958362 0.08333333333333 0.21655718922479 15.999 > 58 59 O 0.48734417958362 0.41666666666667 0.21655718922479 15.999 > 58 60 O 0.48734417958362 0.75000000000000 0.21655718922479 15.999 > 58 61 O 0.07296217888270 0.08333333333333 0.92155736704372 15.999 > 61 62 O 0.07296217888270 0.41666666666667 0.92155736704372 15.999 > 61 63 O 0.07296217888270 0.75000000000000 0.92155736704372 15.999 > 61 64 O 0.71277380427086 0.25000000000000 0.32372864268688 15.999 > 64 65 O 0.71277380427086 0.58333333333333 0.32372864268688 15.999 > 64 66 O 0.71277380427086 0.91666666666667 0.32372864268688 15.999 > 64 67 O 0.01265582041638 0.25000000000000 0.71655718922479 15.999 > 67 68 O 0.01265582041638 0.58333333333333 0.71655718922479 15.999 > 67 69 O 0.01265582041638 0.91666666666667 0.71655718922479 15.999 > 67 70 O 0.42703782111730 0.25000000000000 0.42155736704372 15.999 > 70 71 O 0.42703782111730 0.58333333333333 0.42155736704372 15.999 > 70 72 O 0.42703782111730 0.91666666666667 0.42155736704372 15.999 > 70 73 O 0.62730955489792 0.25000000000000 0.01877048276160 15.999 > 73 74 O 0.62730955489792 0.58333333333333 0.01877048276160 15.999 > 73 75 O 0.62730955489792 0.91666666666667 0.01877048276160 15.999 > 73 76 O 0.51265582041638 0.25000000000000 0.78344281077521 15.999 > 76 77 O 0.51265582041638 0.58333333333333 0.78344281077521 15.999 > 76 78 O 0.51265582041638 0.91666666666667 0.78344281077521 15.999 > 76 79 O 0.87269044510208 0.08333333333333 0.51877048276160 15.999 > 79 80 O 0.87269044510208 0.41666666666667 0.51877048276160 15.999 > 79 81 O 0.87269044510208 0.75000000000000 0.51877048276160 15.999 > 79 82 O 0.78722619572914 0.08333333333333 0.82372864268688 15.999 > 82 83 O 0.78722619572914 0.41666666666667 0.82372864268688 15.999 > 82 84 O 0.78722619572914 0.75000000000000 0.82372864268688 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.1667905 0.0000000 0.0000000 0.0000000 4.3990030 0.0000000 0.0000000 0.0000000 4.2695074-------------------------- Born effective charges -------------------------- 1 Sr 2.6213594 0.0000000 0.0605143 0.0000000 2.3925640 0.0000000 0.0361691 0.0000000 2.4751887 2 Sr 2.6213594 0.0000000 -0.0605143 0.0000000 2.3925640 0.0000000 -0.0361691 0.0000000 2.4751887 3 Sr 2.6213594 0.0000000 -0.0605143 0.0000000 2.3925640 0.0000000 -0.0361691 0.0000000 2.4751887 4 Sr 2.6213594 0.0000000 0.0605143 0.0000000 2.3925640 0.0000000 0.0361691 0.0000000 2.4751887 5 Dy 3.5264569 0.0000000 -0.2266901 0.0000000 4.2446552 0.0000000 -0.1180943 0.0000000 3.5791140 6 Dy 3.4757684 0.0000000 -0.1977927 0.0000000 4.0181738 0.0000000 -0.0822104 0.0000000 4.0260345 7 Dy 3.4757684 0.0000000 -0.1977927 0.0000000 4.0181738 0.0000000 -0.0822104 0.0000000 4.0260345 8 Dy 3.5264569 0.0000000 -0.2266901 0.0000000 4.2446552 0.0000000 -0.1180943 0.0000000 3.5791140 9 Dy 3.5264569 0.0000000 0.2266901 0.0000000 4.2446552 0.0000000 0.1180943 0.0000000 3.5791140 10 Dy 3.4757684 0.0000000 0.1977927 0.0000000 4.0181738 0.0000000 0.0822104 0.0000000 4.0260345 11 Dy 3.4757684 0.0000000 0.1977927 0.0000000 4.0181738 0.0000000 0.0822104 0.0000000 4.0260345 12 Dy 3.5264569 0.0000000 0.2266901 0.0000000 4.2446552 0.0000000 0.1180943 0.0000000 3.5791140 13 O -2.3775867 0.0000000 -0.0144705 0.0000000 -2.6354236 0.0000000 0.0310370 0.0000000 -2.5056104 14 O -1.9829820 0.0000000 0.4209909 0.0000000 -2.6385170 0.0000000 0.5790591 0.0000000 -3.0475685 15 O -2.3619302 0.0000000 0.0133525 0.0000000 -2.6982635 0.0000000 0.1222641 0.0000000 -2.4691307 16 O -2.3619302 0.0000000 -0.0133525 0.0000000 -2.6982635 0.0000000 -0.1222641 0.0000000 -2.4691307 17 O -2.9010858 0.0000000 -0.0470737 0.0000000 -2.6831888 0.0000000 -0.0587028 0.0000000 -2.0580276 18 O -2.3775867 0.0000000 0.0144705 0.0000000 -2.6354236 0.0000000 -0.0310370 0.0000000 -2.5056104 19 O -2.9010858 0.0000000 0.0470737 0.0000000 -2.6831888 0.0000000 0.0587028 0.0000000 -2.0580276 20 O -1.9829820 0.0000000 -0.4209909 0.0000000 -2.6385170 0.0000000 -0.5790591 0.0000000 -3.0475685 21 O -2.3619302 0.0000000 -0.0133525 0.0000000 -2.6982635 0.0000000 -0.1222641 0.0000000 -2.4691307 22 O -2.9010858 0.0000000 0.0470737 0.0000000 -2.6831888 0.0000000 0.0587028 0.0000000 -2.0580276 23 O -1.9829820 0.0000000 0.4209909 0.0000000 -2.6385170 0.0000000 0.5790591 0.0000000 -3.0475685 24 O -2.3619302 0.0000000 0.0133525 0.0000000 -2.6982635 0.0000000 0.1222641 0.0000000 -2.4691307 25 O -2.3775867 0.0000000 -0.0144705 0.0000000 -2.6354236 0.0000000 0.0310370 0.0000000 -2.5056104 26 O -1.9829820 0.0000000 -0.4209909 0.0000000 -2.6385170 0.0000000 -0.5790591 0.0000000 -3.0475685 27 O -2.3775867 0.0000000 0.0144705 0.0000000 -2.6354236 0.0000000 -0.0310370 0.0000000 -2.5056104 28 O -2.9010858 0.0000000 -0.0470737 0.0000000 -2.6831888 0.0000000 -0.0587028 0.0000000 -2.0580276----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 15 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 293, Lambda: 0.12Running 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): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.756 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.587 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.396 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.964 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 0.000) 0.000 12.150 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 12.805 ( 0.000 0.000 0.000) 0.000 12.817 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 12.846 ( 0.000 0.000 0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 13.118 ( 0.000 0.000 0.000) 0.000 13.802 ( 0.000 0.000 0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 15.851 ( 0.000 0.000 0.000) 0.000 16.146 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 17.583 ( 0.000 0.000 0.000) 0.000 17.760 ( 0.000 0.000 0.000) 0.000 17.960 ( 0.000 0.000 0.000) 0.000 18.240 ( 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): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( 26.350 0.000 0.000) 26.350 0.554 ( 27.063 0.000 0.000) 27.063 0.896 ( 44.566 0.000 0.000) 44.566 1.748 ( -2.835 0.000 0.000) 2.835 1.836 ( -12.682 0.000 0.000) 12.682 2.025 ( -9.153 0.000 0.000) 9.153 2.050 ( 15.319 0.000 0.000) 15.319 2.196 ( -1.433 0.000 0.000) 1.433 2.205 ( -5.638 0.000 0.000) 5.638 2.309 ( 3.048 0.000 0.000) 3.048 2.465 ( 3.758 0.000 0.000) 3.758 2.592 ( 1.573 0.000 0.000) 1.573 2.622 ( -3.197 0.000 0.000) 3.197 2.642 ( -4.779 0.000 0.000) 4.779 2.697 ( 2.644 0.000 0.000) 2.644 2.777 ( 1.922 0.000 0.000) 1.922 2.927 ( -1.525 0.000 0.000) 1.525 2.991 ( 4.203 0.000 0.000) 4.203 3.008 ( -2.693 0.000 0.000) 2.693 3.230 ( -2.053 0.000 0.000) 2.053 3.262 ( 3.340 0.000 0.000) 3.340 3.315 ( -5.193 0.000 0.000) 5.193 3.516 ( -11.203 0.000 0.000) 11.203 3.648 ( 2.950 0.000 0.000) 2.950 4.145 ( 4.641 0.000 0.000) 4.641 4.348 ( -10.447 0.000 0.000) 10.447 4.395 ( 11.133 0.000 0.000) 11.133 4.693 ( 0.340 0.000 0.000) 0.340 4.742 ( -14.238 0.000 0.000) 14.238 4.867 ( -5.984 0.000 0.000) 5.984 5.124 ( 6.396 0.000 0.000) 6.396 5.408 ( 0.477 0.000 0.000) 0.477 5.419 ( -15.989 0.000 0.000) 15.989 5.444 ( 2.996 0.000 0.000) 2.996 5.816 ( 4.513 0.000 0.000) 4.513 5.929 ( 2.306 0.000 0.000) 2.306 5.931 ( 7.592 0.000 0.000) 7.592 6.271 ( 12.993 0.000 0.000) 12.993 6.540 ( -14.649 0.000 0.000) 14.649 7.018 ( -2.729 0.000 0.000) 2.729 7.597 ( 1.082 0.000 0.000) 1.082 7.799 ( -4.063 0.000 0.000) 4.063 8.225 ( 0.048 0.000 0.000) 0.048 8.252 ( 0.940 0.000 0.000) 0.940 8.277 ( 4.384 0.000 0.000) 4.384 8.321 ( -3.826 0.000 0.000) 3.826 8.447 ( -0.956 0.000 0.000) 0.956 8.647 ( 0.722 0.000 0.000) 0.722 8.674 ( 8.400 0.000 0.000) 8.400 8.938 ( 6.265 0.000 0.000) 6.265 9.170 ( -4.354 0.000 0.000) 4.354 9.359 ( -3.591 0.000 0.000) 3.591 9.596 ( 20.825 0.000 0.000) 20.825 9.937 ( 2.923 0.000 0.000) 2.923 10.299 ( 0.621 0.000 0.000) 0.621 10.358 ( -0.964 0.000 0.000) 0.964 10.366 ( -0.944 0.000 0.000) 0.944 10.400 ( -6.842 0.000 0.000) 6.842 11.009 ( 1.454 0.000 0.000) 1.454 11.049 ( 0.738 0.000 0.000) 0.738 11.098 ( -0.387 0.000 0.000) 0.387 11.360 ( 3.054 0.000 0.000) 3.054 11.369 ( 11.407 0.000 0.000) 11.407 11.667 ( -21.946 0.000 0.000) 21.946 12.106 ( -4.448 0.000 0.000) 4.448 12.289 ( -5.317 0.000 0.000) 5.317 12.799 ( 0.159 0.000 0.000) 0.159 12.809 ( 0.551 0.000 0.000) 0.551 12.815 ( -0.507 0.000 0.000) 0.507 12.815 ( -0.493 0.000 0.000) 0.493 12.841 ( 0.088 0.000 0.000) 0.088 12.849 ( -0.091 0.000 0.000) 0.091 13.788 ( -1.134 0.000 0.000) 1.134 13.808 ( -2.232 0.000 0.000) 2.232 14.089 ( 2.473 0.000 0.000) 2.473 14.253 ( -1.599 0.000 0.000) 1.599 15.867 ( 6.874 0.000 0.000) 6.874 16.154 ( 0.267 0.000 0.000) 0.267 16.437 ( 1.783 0.000 0.000) 1.783 16.519 ( -0.421 0.000 0.000) 0.421 17.675 ( 0.883 0.000 0.000) 0.883 17.754 ( -0.598 0.000 0.000) 0.598 17.973 ( 1.174 0.000 0.000) 1.174 18.182 ( -5.129 0.000 0.000) 5.129======================= Grid point 2 (3/72) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( 24.018 0.000 0.000) 24.018 1.074 ( 24.450 0.000 0.000) 24.450 1.495 ( -20.232 0.000 0.000) 20.232 1.517 ( -18.891 0.000 0.000) 18.891 1.764 ( 40.501 0.000 0.000) 40.501 1.978 ( 3.463 0.000 0.000) 3.463 2.083 ( -6.144 0.000 0.000) 6.144 2.192 ( -0.064 0.000 0.000) 0.064 2.291 ( 3.707 0.000 0.000) 3.707 2.395 ( 5.226 0.000 0.000) 5.226 2.509 ( -5.844 0.000 0.000) 5.844 2.536 ( 3.202 0.000 0.000) 3.202 2.561 ( -25.656 0.000 0.000) 25.656 2.590 ( -2.060 0.000 0.000) 2.060 2.652 ( 9.351 0.000 0.000) 9.351 2.795 ( 5.133 0.000 0.000) 5.133 2.880 ( -3.272 0.000 0.000) 3.272 2.885 ( -10.399 0.000 0.000) 10.399 3.084 ( 4.703 0.000 0.000) 4.703 3.166 ( -0.922 0.000 0.000) 0.922 3.170 ( -3.760 0.000 0.000) 3.760 3.225 ( -4.658 0.000 0.000) 4.658 3.573 ( 13.310 0.000 0.000) 13.310 3.852 ( 4.846 0.000 0.000) 4.846 3.974 ( -5.386 0.000 0.000) 5.386 4.315 ( -20.175 0.000 0.000) 20.175 4.386 ( 11.001 0.000 0.000) 11.001 4.609 ( -6.540 0.000 0.000) 6.540 4.786 ( 6.216 0.000 0.000) 6.216 4.806 ( 7.210 0.000 0.000) 7.210 5.098 ( -6.888 0.000 0.000) 6.888 5.117 ( -11.532 0.000 0.000) 11.532 5.458 ( 3.177 0.000 0.000) 3.177 5.487 ( 0.564 0.000 0.000) 0.564 5.921 ( 4.622 0.000 0.000) 4.622 5.964 ( 0.366 0.000 0.000) 0.366 6.094 ( 7.940 0.000 0.000) 7.940 6.274 ( -10.942 0.000 0.000) 10.942 6.549 ( 14.807 0.000 0.000) 14.807 6.843 ( -13.281 0.000 0.000) 13.281 7.635 ( 2.776 0.000 0.000) 2.776 7.708 ( -4.448 0.000 0.000) 4.448 8.232 ( 0.738 0.000 0.000) 0.738 8.260 ( -2.171 0.000 0.000) 2.171 8.324 ( 5.045 0.000 0.000) 5.045 8.395 ( 3.477 0.000 0.000) 3.477 8.423 ( 1.753 0.000 0.000) 1.753 8.576 ( -7.290 0.000 0.000) 7.290 8.858 ( 9.369 0.000 0.000) 9.369 9.026 ( -5.488 0.000 0.000) 5.488 9.110 ( 5.863 0.000 0.000) 5.863 9.255 ( -6.662 0.000 0.000) 6.662 10.057 ( 8.401 0.000 0.000) 8.401 10.066 ( 21.209 0.000 0.000) 21.209 10.246 ( -7.700 0.000 0.000) 7.700 10.317 ( 1.131 0.000 0.000) 1.131 10.330 ( -3.587 0.000 0.000) 3.587 10.342 ( -1.329 0.000 0.000) 1.329 10.987 ( 0.393 0.000 0.000) 0.393 11.067 ( 1.007 0.000 0.000) 1.007 11.086 ( -0.792 0.000 0.000) 0.792 11.205 ( -20.845 0.000 0.000) 20.845 11.543 ( 12.865 0.000 0.000) 12.865 11.610 ( 9.433 0.000 0.000) 9.433 11.980 ( -6.882 0.000 0.000) 6.882 12.040 ( -14.708 0.000 0.000) 14.708 12.804 ( 0.278 0.000 0.000) 0.278 12.810 ( -0.303 0.000 0.000) 0.303 12.828 ( 1.020 0.000 0.000) 1.020 12.831 ( 0.952 0.000 0.000) 0.952 12.844 ( 0.145 0.000 0.000) 0.145 12.847 ( -0.147 0.000 0.000) 0.147 13.767 ( -0.682 0.000 0.000) 0.682 13.770 ( -1.131 0.000 0.000) 1.131 14.149 ( 3.173 0.000 0.000) 3.173 14.209 ( -2.703 0.000 0.000) 2.703 16.021 ( 7.370 0.000 0.000) 7.370 16.131 ( -3.166 0.000 0.000) 3.166 16.477 ( 1.882 0.000 0.000) 1.882 16.506 ( -0.963 0.000 0.000) 0.963 17.701 ( 1.625 0.000 0.000) 1.625 17.734 ( -1.455 0.000 0.000) 1.455 18.005 ( 2.193 0.000 0.000) 2.193 18.073 ( -4.791 0.000 0.000) 4.791======================= Grid point 5 (4/72) =======================q-point: ( 0.00 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( 0.000 27.251 0.000) 27.251 0.602 ( 0.000 30.093 0.000) 30.093 1.136 ( 0.000 57.230 0.000) 57.230 1.858 ( 0.000 5.819 0.000) 5.819 1.881 ( 0.000 3.356 0.000) 3.356 1.992 ( 0.000 21.895 0.000) 21.895 2.240 ( 0.000 1.989 0.000) 1.989 2.342 ( 0.000 15.797 0.000) 15.797 2.398 ( 0.000 11.069 0.000) 11.069 2.489 ( 0.000 18.907 0.000) 18.907 2.534 ( 0.000 10.807 0.000) 10.807 2.648 ( 0.000 7.922 0.000) 7.922 2.728 ( 0.000 1.479 0.000) 1.479 2.780 ( 0.000 9.504 0.000) 9.504 2.780 ( 0.000 10.415 0.000) 10.415 2.857 ( 0.000 14.722 0.000) 14.722 2.918 ( 0.000 8.559 0.000) 8.559 3.090 ( 0.000 13.019 0.000) 13.019 3.180 ( 0.000 -0.009 0.000) 0.009 3.292 ( 0.000 18.085 0.000) 18.085 3.346 ( 0.000 0.569 0.000) 0.569 3.433 ( 0.000 17.758 0.000) 17.758 3.656 ( 0.000 -0.924 0.000) 0.924 3.728 ( 0.000 4.164 0.000) 4.164 4.010 ( 0.000 3.559 0.000) 3.559 4.306 ( 0.000 4.892 0.000) 4.892 4.403 ( 0.000 0.765 0.000) 0.765 4.449 ( 0.000 1.849 0.000) 1.849 4.808 ( 0.000 -2.927 0.000) 2.927 4.867 ( 0.000 -2.389 0.000) 2.389 4.916 ( 0.000 -2.539 0.000) 2.539 5.365 ( 0.000 -3.366 0.000) 3.366 5.399 ( 0.000 -0.979 0.000) 0.979 5.638 ( 0.000 0.418 0.000) 0.418 5.690 ( 0.000 -3.428 0.000) 3.428 5.896 ( 0.000 -0.836 0.000) 0.836 5.907 ( 0.000 0.509 0.000) 0.509 6.004 ( 0.000 -6.264 0.000) 6.264 6.577 ( 0.000 -2.953 0.000) 2.953 6.900 ( 0.000 -8.312 0.000) 8.312 8.040 ( 0.000 14.855 0.000) 14.855 8.042 ( 0.000 -4.094 0.000) 4.094 8.256 ( 0.000 2.164 0.000) 2.164 8.263 ( 0.000 5.627 0.000) 5.627 8.408 ( 0.000 -3.905 0.000) 3.905 8.429 ( 0.000 3.349 0.000) 3.349 8.447 ( 0.000 0.260 0.000) 0.260 8.612 ( 0.000 2.853 0.000) 2.853 8.819 ( 0.000 20.678 0.000) 20.678 9.056 ( 0.000 17.292 0.000) 17.292 9.335 ( 0.000 -2.018 0.000) 2.018 9.354 ( 0.000 13.089 0.000) 13.089 9.514 ( 0.000 10.626 0.000) 10.626 9.918 ( 0.000 0.204 0.000) 0.204 10.197 ( 0.000 -5.727 0.000) 5.727 10.380 ( 0.000 0.144 0.000) 0.144 10.386 ( 0.000 1.989 0.000) 1.989 10.599 ( 0.000 8.964 0.000) 8.964 10.834 ( 0.000 -10.255 0.000) 10.255 11.003 ( 0.000 -5.411 0.000) 5.411 11.101 ( 0.000 -0.106 0.000) 0.106 11.230 ( 0.000 -0.559 0.000) 0.559 11.449 ( 0.000 8.209 0.000) 8.209 12.121 ( 0.000 -2.477 0.000) 2.477 12.182 ( 0.000 -6.885 0.000) 6.885 12.355 ( 0.000 1.136 0.000) 1.136 12.593 ( 0.000 -17.709 0.000) 17.709 12.651 ( 0.000 -9.467 0.000) 9.467 12.781 ( 0.000 -1.588 0.000) 1.588 12.925 ( 0.000 7.277 0.000) 7.277 12.970 ( 0.000 6.940 0.000) 6.940 13.166 ( 0.000 2.759 0.000) 2.759 13.838 ( 0.000 2.735 0.000) 2.735 13.873 ( 0.000 -6.160 0.000) 6.160 14.018 ( 0.000 -4.487 0.000) 4.487 14.187 ( 0.000 -8.160 0.000) 8.160 15.911 ( 0.000 4.970 0.000) 4.970 16.142 ( 0.000 -0.469 0.000) 0.469 16.375 ( 0.000 -4.098 0.000) 4.098 16.616 ( 0.000 -2.167 0.000) 2.167 17.517 ( 0.000 -6.590 0.000) 6.590 17.678 ( 0.000 -8.137 0.000) 8.137 17.874 ( 0.000 -8.544 0.000) 8.544 18.122 ( 0.000 -11.600 0.000) 11.600======================= Grid point 6 (5/72) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 20.430 17.708 0.000) 27.036 0.798 ( 16.745 21.658 0.000) 27.376 1.437 ( 25.112 43.942 0.000) 50.611 1.825 ( -6.236 2.533 0.000) 6.730 1.973 ( -5.026 20.089 0.000) 20.708 2.079 ( 15.078 3.538 0.000) 15.487 2.191 ( -6.770 13.562 0.000) 15.158 2.237 ( -1.101 5.804 0.000) 5.908 2.396 ( -2.927 15.173 0.000) 15.453 2.442 ( 0.777 13.478 0.000) 13.501 2.579 ( 1.475 8.920 0.000) 9.041 2.707 ( -0.928 0.557 0.000) 1.082 2.728 ( -3.122 11.669 0.000) 12.079 2.753 ( 0.500 12.524 0.000) 12.534 2.776 ( -2.860 14.308 0.000) 14.591 2.825 ( 5.134 6.059 0.000) 7.942 2.982 ( 3.343 9.467 0.000) 10.040 3.076 ( -1.505 14.033 0.000) 14.113 3.261 ( 4.545 0.155 0.000) 4.547 3.286 ( 0.103 18.031 0.000) 18.032 3.337 ( -2.615 2.773 0.000) 3.812 3.410 ( -2.162 17.355 0.000) 17.490 3.549 ( -12.693 5.057 0.000) 13.664 3.630 ( 2.279 -0.554 0.000) 2.345 4.116 ( 3.220 -1.753 0.000) 3.666 4.329 ( -6.348 -0.181 0.000) 6.351 4.427 ( 9.395 3.280 0.000) 9.951 4.585 ( 8.475 -4.027 0.000) 9.383 4.721 ( -13.419 -2.005 0.000) 13.568 4.850 ( -5.407 -1.653 0.000) 5.654 4.939 ( 11.438 -6.682 0.000) 13.247 5.371 ( -5.476 -5.740 0.000) 7.933 5.388 ( -1.507 -1.710 0.000) 2.279 5.422 ( -9.663 -0.729 0.000) 9.690 5.784 ( 4.620 -3.152 0.000) 5.593 5.909 ( 7.386 -1.503 0.000) 7.537 5.928 ( 1.694 -0.150 0.000) 1.701 6.229 ( 13.724 -3.747 0.000) 14.226 6.441 ( -11.055 -4.367 0.000) 11.886 6.910 ( -1.582 -7.210 0.000) 7.382 8.020 ( -1.656 16.619 0.000) 16.701 8.085 ( 2.476 7.002 0.000) 7.427 8.240 ( -1.039 2.956 0.000) 3.133 8.248 ( -11.360 6.895 0.000) 13.288 8.304 ( 4.180 2.638 0.000) 4.943 8.390 ( -2.482 5.939 0.000) 6.437 8.428 ( 1.009 -0.587 0.000) 1.168 8.671 ( 1.097 2.870 0.000) 3.072 8.850 ( 5.089 18.309 0.000) 19.003 9.093 ( 3.915 14.709 0.000) 15.221 9.304 ( -4.158 12.065 0.000) 12.762 9.454 ( -5.013 9.336 0.000) 10.597 9.566 ( 20.135 -1.604 0.000) 20.199 9.945 ( 3.520 0.802 0.000) 3.610 10.214 ( 1.380 -4.738 0.000) 4.935 10.331 ( -1.807 -0.723 0.000) 1.947 10.417 ( 0.515 3.323 0.000) 3.363 10.485 ( -7.833 4.739 0.000) 9.155 10.917 ( 4.099 -7.883 0.000) 8.885 11.028 ( -4.284 -2.064 0.000) 4.755 11.029 ( 2.045 -1.207 0.000) 2.374 11.360 ( 10.865 -1.768 0.000) 11.008 11.433 ( 0.787 6.141 0.000) 6.192 11.840 ( -27.389 4.685 0.000) 27.787 12.079 ( -4.350 -2.560 0.000) 5.047 12.332 ( -5.540 2.032 0.000) 5.901 12.580 ( -1.829 -16.048 0.000) 16.152 12.641 ( -1.226 -7.919 0.000) 8.013 12.747 ( -1.812 -5.944 0.000) 6.214 12.884 ( -8.161 2.624 0.000) 8.572 12.960 ( -0.886 9.090 0.000) 9.133 13.013 ( 3.028 9.595 0.000) 10.061 13.805 ( -2.563 0.553 0.000) 2.622 13.822 ( -3.167 -2.388 0.000) 3.966 14.058 ( 3.261 -3.270 0.000) 4.618 14.198 ( 0.124 -6.138 0.000) 6.139 15.939 ( 4.102 5.333 0.000) 6.728 16.152 ( 0.549 -0.212 0.000) 0.589 16.399 ( 2.211 -3.712 0.000) 4.321 16.554 ( -3.147 0.914 0.000) 3.277 17.568 ( 2.663 -9.042 0.000) 9.426 17.673 ( -0.627 -8.147 0.000) 8.171 17.887 ( 1.122 -8.567 0.000) 8.640 18.070 ( -4.559 -11.003 0.000) 11.911======================= Grid point 7 (6/72) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 19.804 12.711 0.000) 23.532 1.229 ( 24.175 12.481 0.000) 27.207 1.564 ( -16.715 6.977 0.000) 18.113 1.690 ( -20.073 14.086 0.000) 24.523 2.016 ( 29.065 24.661 0.000) 38.117 2.185 ( 3.921 19.102 0.000) 19.500 2.266 ( 3.042 7.335 0.000) 7.941 2.287 ( -3.558 17.212 0.000) 17.576 2.341 ( 1.706 7.224 0.000) 7.423 2.527 ( 5.598 12.052 0.000) 13.289 2.542 ( -14.802 5.078 0.000) 15.649 2.638 ( 10.349 4.103 0.000) 11.132 2.674 ( -9.509 10.475 0.000) 14.147 2.720 ( 2.115 12.151 0.000) 12.333 2.746 ( -2.030 12.581 0.000) 12.744 2.895 ( -1.951 7.507 0.000) 7.756 3.006 ( -5.378 16.183 0.000) 17.054 3.031 ( -2.955 14.509 0.000) 14.807 3.150 ( -0.783 4.051 0.000) 4.126 3.237 ( -5.040 4.145 0.000) 6.526 3.311 ( 2.092 15.917 0.000) 16.053 3.362 ( -2.677 16.280 0.000) 16.498 3.578 ( 12.036 1.468 0.000) 12.125 3.810 ( 4.168 -3.200 0.000) 5.255 3.970 ( -2.675 -0.229 0.000) 2.685 4.297 ( -20.142 -1.670 0.000) 20.211 4.404 ( 10.496 2.032 0.000) 10.691 4.617 ( -6.585 0.994 0.000) 6.659 4.755 ( 7.989 -3.543 0.000) 8.740 4.778 ( 4.803 -0.565 0.000) 4.836 5.057 ( -1.598 -3.307 0.000) 3.673 5.096 ( -10.910 -2.069 0.000) 11.105 5.370 ( 1.131 -6.360 0.000) 6.459 5.402 ( -0.868 -7.059 0.000) 7.112 5.894 ( 4.941 -2.653 0.000) 5.609 5.948 ( -0.401 -1.587 0.000) 1.637 6.066 ( 7.476 -1.921 0.000) 7.719 6.226 ( -9.270 -2.915 0.000) 9.717 6.511 ( 14.306 -3.379 0.000) 14.699 6.778 ( -11.133 -5.055 0.000) 12.227 7.994 ( -0.325 21.133 0.000) 21.136 8.029 ( -4.210 26.246 0.000) 26.581 8.198 ( 2.072 -3.898 0.000) 4.415 8.225 ( -0.750 0.786 0.000) 1.086 8.377 ( 1.284 3.980 0.000) 4.182 8.408 ( 1.422 -0.259 0.000) 1.445 8.442 ( 4.855 4.492 0.000) 6.614 8.599 ( -7.348 3.045 0.000) 7.954 9.004 ( 8.980 14.050 0.000) 16.674 9.167 ( -4.337 13.357 0.000) 14.044 9.219 ( 3.113 10.357 0.000) 10.815 9.338 ( -6.218 8.291 0.000) 10.364 10.026 ( 21.306 -3.185 0.000) 21.543 10.066 ( 7.627 0.770 0.000) 7.666 10.209 ( -3.538 -1.961 0.000) 4.045 10.293 ( -4.201 -1.675 0.000) 4.523 10.374 ( -1.394 3.615 0.000) 3.875 10.399 ( -1.972 3.507 0.000) 4.023 10.968 ( 1.123 -6.360 0.000) 6.458 10.975 ( -1.107 -5.374 0.000) 5.487 11.035 ( 1.853 3.246 0.000) 3.738 11.290 ( -22.596 3.912 0.000) 22.932 11.576 ( 11.522 2.028 0.000) 11.699 11.603 ( 9.519 -1.404 0.000) 9.622 11.960 ( -5.713 -1.779 0.000) 5.984 12.074 ( -16.290 3.167 0.000) 16.595 12.567 ( 0.887 -13.455 0.000) 13.484 12.602 ( -2.230 -9.299 0.000) 9.563 12.741 ( 0.964 -8.166 0.000) 8.222 12.777 ( -2.753 -5.495 0.000) 6.146 13.021 ( 3.493 9.522 0.000) 10.143 13.054 ( 0.450 11.237 0.000) 11.246 13.764 ( -1.055 -1.371 0.000) 1.730 13.770 ( -1.668 -1.573 0.000) 2.293 14.126 ( 3.231 -2.926 0.000) 4.359 14.180 ( -1.920 -3.854 0.000) 4.306 16.051 ( 5.856 2.625 0.000) 6.417 16.138 ( -2.408 0.729 0.000) 2.516 16.452 ( 2.739 -2.595 0.000) 3.774 16.502 ( -2.337 -0.808 0.000) 2.473 17.613 ( 2.061 -8.571 0.000) 8.815 17.651 ( -1.594 -8.256 0.000) 8.409 17.916 ( 1.901 -8.849 0.000) 9.051 17.974 ( -4.155 -9.755 0.000) 10.603======================= Grid point 10 (7/72) =======================q-point: ( 0.00 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 0.000 25.565 0.000) 25.565 1.171 ( 0.000 27.532 0.000) 27.532 1.968 ( 0.000 7.707 0.000) 7.707 2.033 ( 0.000 11.825 0.000) 11.825 2.250 ( 0.000 53.402 0.000) 53.402 2.298 ( 0.000 3.599 0.000) 3.599 2.455 ( 0.000 16.769 0.000) 16.769 2.578 ( 0.000 6.092 0.000) 6.092 2.662 ( 0.000 17.979 0.000) 17.979 2.707 ( 0.000 1.254 0.000) 1.254 2.810 ( 0.000 16.886 0.000) 16.886 2.856 ( 0.000 13.074 0.000) 13.074 2.952 ( 0.000 25.794 0.000) 25.794 3.037 ( 0.000 13.069 0.000) 13.069 3.101 ( 0.000 21.067 0.000) 21.067 3.164 ( 0.000 0.138 0.000) 0.138 3.208 ( 0.000 17.528 0.000) 17.528 3.312 ( 0.000 26.495 0.000) 26.495 3.412 ( 0.000 9.377 0.000) 9.377 3.427 ( 0.000 17.047 0.000) 17.047 3.636 ( 0.000 15.860 0.000) 15.860 3.645 ( 0.000 1.400 0.000) 1.400 3.898 ( 0.000 28.082 0.000) 28.082 3.959 ( 0.000 21.229 0.000) 21.229 4.120 ( 0.000 7.240 0.000) 7.240 4.445 ( 0.000 4.560 0.000) 4.560 4.446 ( 0.000 9.215 0.000) 9.215 4.520 ( 0.000 5.956 0.000) 5.956 4.723 ( 0.000 -5.679 0.000) 5.679 4.811 ( 0.000 -2.869 0.000) 2.869 4.845 ( 0.000 -4.519 0.000) 4.519 5.293 ( 0.000 -3.234 0.000) 3.234 5.369 ( 0.000 -2.085 0.000) 2.085 5.600 ( 0.000 -5.397 0.000) 5.397 5.641 ( 0.000 -0.823 0.000) 0.823 5.874 ( 0.000 -5.208 0.000) 5.208 5.886 ( 0.000 -0.064 0.000) 0.064 5.917 ( 0.000 0.417 0.000) 0.417 6.517 ( 0.000 -2.708 0.000) 2.708 6.698 ( 0.000 -11.512 0.000) 11.512 7.958 ( 0.000 -3.982 0.000) 3.982 8.113 ( 0.000 -4.713 0.000) 4.713 8.263 ( 0.000 -3.182 0.000) 3.182 8.378 ( 0.000 2.484 0.000) 2.484 8.387 ( 0.000 -5.437 0.000) 5.437 8.477 ( 0.000 2.364 0.000) 2.364 8.590 ( 0.000 21.089 0.000) 21.089 8.783 ( 0.000 11.453 0.000) 11.453 9.285 ( 0.000 24.437 0.000) 24.437 9.342 ( 0.000 3.688 0.000) 3.688 9.443 ( 0.000 18.164 0.000) 18.164 9.693 ( 0.000 21.555 0.000) 21.555 9.713 ( 0.000 6.702 0.000) 6.702 9.939 ( 0.000 2.283 0.000) 2.283 10.124 ( 0.000 -1.557 0.000) 1.557 10.411 ( 0.000 3.672 0.000) 3.672 10.412 ( 0.000 -0.037 0.000) 0.037 10.639 ( 0.000 -8.666 0.000) 8.666 10.818 ( 0.000 13.701 0.000) 13.701 10.852 ( 0.000 -7.624 0.000) 7.624 11.105 ( 0.000 1.280 0.000) 1.280 11.223 ( 0.000 0.035 0.000) 0.035 11.619 ( 0.000 7.865 0.000) 7.865 12.029 ( 0.000 -8.326 0.000) 8.326 12.075 ( 0.000 -1.737 0.000) 1.737 12.294 ( 0.000 -9.331 0.000) 9.331 12.365 ( 0.000 -0.250 0.000) 0.250 12.457 ( 0.000 -9.773 0.000) 9.773 12.737 ( 0.000 -2.918 0.000) 2.918 13.081 ( 0.000 3.368 0.000) 3.368 13.098 ( 0.000 9.481 0.000) 9.481 13.206 ( 0.000 1.351 0.000) 1.351 13.672 ( 0.000 -14.094 0.000) 14.094 13.859 ( 0.000 -1.697 0.000) 1.697 13.891 ( 0.000 -7.975 0.000) 7.975 13.970 ( 0.000 -13.032 0.000) 13.032 15.992 ( 0.000 2.187 0.000) 2.187 16.130 ( 0.000 -0.565 0.000) 0.565 16.273 ( 0.000 -5.773 0.000) 5.773 16.555 ( 0.000 -4.024 0.000) 4.024 17.334 ( 0.000 -11.669 0.000) 11.669 17.453 ( 0.000 -14.364 0.000) 14.364 17.637 ( 0.000 -15.167 0.000) 15.167 17.813 ( 0.000 -18.940 0.000) 18.940======================= Grid point 11 (8/72) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 10.810 22.184 0.000) 24.678 1.266 ( 8.990 24.503 0.000) 26.101 1.935 ( -3.872 9.244 0.000) 10.022 2.178 ( 11.149 9.332 0.000) 14.539 2.284 ( -3.798 7.672 0.000) 8.560 2.405 ( 14.238 46.511 0.000) 48.641 2.406 ( -10.879 10.672 0.000) 15.239 2.530 ( 2.222 15.457 0.000) 15.616 2.572 ( 1.335 6.189 0.000) 6.332 2.768 ( 3.271 9.636 0.000) 10.176 2.788 ( -2.135 15.992 0.000) 16.134 2.901 ( -1.415 8.377 0.000) 8.496 2.909 ( -4.342 24.920 0.000) 25.295 3.057 ( -2.065 17.271 0.000) 17.394 3.077 ( 4.387 13.402 0.000) 14.101 3.166 ( -3.793 21.207 0.000) 21.544 3.277 ( -0.362 15.898 0.000) 15.902 3.291 ( 8.867 5.056 0.000) 10.208 3.416 ( -0.857 17.909 0.000) 17.930 3.488 ( 4.761 16.241 0.000) 16.925 3.589 ( -5.137 15.246 0.000) 16.088 3.648 ( 2.074 4.240 0.000) 4.720 3.866 ( -6.692 25.972 0.000) 26.820 3.868 ( -3.330 26.668 0.000) 26.875 4.111 ( -3.575 1.367 0.000) 3.828 4.388 ( -0.846 6.881 0.000) 6.933 4.520 ( 2.554 5.359 0.000) 5.936 4.593 ( 5.860 4.282 0.000) 7.258 4.680 ( -8.256 -0.937 0.000) 8.309 4.808 ( -3.802 -2.400 0.000) 4.497 4.839 ( 9.261 -4.412 0.000) 10.258 5.243 ( -6.551 -6.163 0.000) 8.994 5.341 ( -3.167 -2.920 0.000) 4.308 5.411 ( -11.544 -0.194 0.000) 11.545 5.696 ( 5.223 -5.749 0.000) 7.767 5.898 ( 6.980 0.726 0.000) 7.017 5.921 ( 0.086 -0.650 0.000) 0.656 6.143 ( 14.329 -4.669 0.000) 15.071 6.372 ( -10.115 -2.852 0.000) 10.510 6.741 ( 0.362 -9.529 0.000) 9.535 8.037 ( 5.571 -4.646 0.000) 7.254 8.076 ( -1.901 -5.469 0.000) 5.790 8.269 ( -5.060 -3.105 0.000) 5.937 8.320 ( 4.068 0.104 0.000) 4.069 8.433 ( 4.306 1.220 0.000) 4.475 8.548 ( 2.855 5.785 0.000) 6.452 8.583 ( -0.602 20.981 0.000) 20.989 8.793 ( -0.997 8.963 0.000) 9.018 9.295 ( 1.459 23.607 0.000) 23.652 9.435 ( 2.430 16.735 0.000) 16.911 9.495 ( 8.247 5.449 0.000) 9.885 9.638 ( -5.116 6.777 0.000) 8.491 9.699 ( 3.617 17.990 0.000) 18.350 9.993 ( 4.221 4.809 0.000) 6.399 10.152 ( 2.420 -1.257 0.000) 2.727 10.339 ( -2.578 1.207 0.000) 2.847 10.477 ( 1.605 2.740 0.000) 3.176 10.518 ( -7.417 -2.200 0.000) 7.737 10.803 ( 0.955 -2.678 0.000) 2.843 11.021 ( -6.160 1.091 0.000) 6.256 11.041 ( 11.051 4.971 0.000) 12.118 11.310 ( 7.272 -2.929 0.000) 7.839 11.556 ( -4.342 5.404 0.000) 6.932 11.829 ( -18.565 -3.793 0.000) 18.949 12.023 ( -4.823 -2.536 0.000) 5.449 12.309 ( 1.594 -7.425 0.000) 7.594 12.352 ( -3.452 -0.445 0.000) 3.480 12.487 ( 2.663 -7.916 0.000) 8.352 12.644 ( -6.979 -3.461 0.000) 7.790 12.932 ( -15.759 2.148 0.000) 15.905 13.147 ( 0.065 9.145 0.000) 9.145 13.169 ( 6.204 5.180 0.000) 8.082 13.672 ( -0.170 -12.049 0.000) 12.050 13.763 ( -5.613 -5.201 0.000) 7.653 13.959 ( 3.177 -6.915 0.000) 7.610 14.011 ( 2.368 -12.372 0.000) 12.596 16.023 ( 3.089 2.418 0.000) 3.923 16.147 ( 1.209 -0.222 0.000) 1.229 16.304 ( 2.902 -5.553 0.000) 6.266 16.525 ( -2.667 -3.420 0.000) 4.336 17.351 ( 1.464 -12.877 0.000) 12.960 17.448 ( -0.619 -14.317 0.000) 14.331 17.650 ( 1.098 -15.051 0.000) 15.091 17.776 ( -3.229 -18.125 0.000) 18.410======================= Grid point 12 (9/72) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 21.296 14.460 0.000) 25.741 1.499 ( 13.326 18.521 0.000) 22.817 1.764 ( -12.131 13.023 0.000) 17.798 1.948 ( -22.285 11.445 0.000) 25.053 2.413 ( 5.255 6.778 0.000) 8.577 2.424 ( 10.506 9.201 0.000) 13.965 2.544 ( 0.308 12.116 0.000) 12.119 2.597 ( 1.784 15.426 0.000) 15.529 2.729 ( 0.859 12.809 0.000) 12.838 2.753 ( -3.918 14.667 0.000) 15.181 2.802 ( -3.457 23.105 0.000) 23.362 2.826 ( -5.054 9.736 0.000) 10.970 2.851 ( 17.879 26.947 0.000) 32.339 3.045 ( 1.098 18.276 0.000) 18.309 3.078 ( -3.792 17.991 0.000) 18.387 3.155 ( -1.871 18.008 0.000) 18.105 3.305 ( 0.760 12.194 0.000) 12.217 3.355 ( -2.446 13.279 0.000) 13.502 3.429 ( 0.839 19.252 0.000) 19.271 3.433 ( -4.508 24.353 0.000) 24.767 3.580 ( 5.312 11.221 0.000) 12.415 3.737 ( -7.782 10.111 0.000) 12.759 3.809 ( 8.963 11.671 0.000) 14.716 3.817 ( 1.988 24.941 0.000) 25.020 3.996 ( -1.486 5.996 0.000) 6.178 4.262 ( -19.337 -1.518 0.000) 19.397 4.480 ( 8.378 6.128 0.000) 10.380 4.657 ( -7.207 3.055 0.000) 7.828 4.733 ( 7.403 2.378 0.000) 7.775 4.788 ( 4.860 2.700 0.000) 5.559 4.993 ( 3.715 -2.714 0.000) 4.601 5.044 ( -8.204 -2.994 0.000) 8.734 5.253 ( -3.572 -5.380 0.000) 6.458 5.272 ( -4.031 -4.983 0.000) 6.409 5.821 ( 5.880 -4.765 0.000) 7.569 5.904 ( -2.265 -2.944 0.000) 3.715 6.044 ( 7.038 -0.004 0.000) 7.038 6.188 ( -7.859 -0.985 0.000) 7.920 6.425 ( 13.467 -5.330 0.000) 14.483 6.657 ( -8.653 -7.311 0.000) 11.328 8.058 ( 0.022 -5.602 0.000) 5.602 8.072 ( -1.081 -5.399 0.000) 5.506 8.291 ( 5.210 -1.283 0.000) 5.365 8.370 ( -1.031 0.035 0.000) 1.031 8.529 ( 6.452 3.108 0.000) 7.161 8.583 ( 0.782 14.110 0.000) 14.132 8.583 ( 0.735 19.860 0.000) 19.874 8.694 ( -8.114 5.764 0.000) 9.953 9.369 ( 5.874 20.991 0.000) 21.797 9.474 ( 2.155 14.434 0.000) 14.594 9.499 ( -5.134 18.440 0.000) 19.141 9.545 ( -4.161 11.314 0.000) 12.055 9.994 ( 18.261 1.041 0.000) 18.291 10.085 ( 4.130 1.255 0.000) 4.316 10.183 ( 0.137 -0.588 0.000) 0.603 10.285 ( -4.887 1.225 0.000) 5.038 10.432 ( -0.307 2.602 0.000) 2.620 10.467 ( -2.220 3.751 0.000) 4.359 10.853 ( 4.183 -3.979 0.000) 5.773 10.925 ( -2.949 -0.381 0.000) 2.974 11.155 ( 0.901 8.280 0.000) 8.329 11.324 ( -15.220 -1.149 0.000) 15.264 11.552 ( 3.455 -2.416 0.000) 4.216 11.575 ( 5.380 -2.430 0.000) 5.903 11.935 ( -0.386 0.026 0.000) 0.387 12.140 ( -15.944 2.867 0.000) 16.199 12.375 ( 4.618 -3.952 0.000) 6.078 12.487 ( -5.769 -1.934 0.000) 6.084 12.573 ( 3.195 -7.803 0.000) 8.431 12.677 ( -7.853 -3.984 0.000) 8.806 13.207 ( 4.313 9.068 0.000) 10.041 13.253 ( 0.959 8.545 0.000) 8.599 13.661 ( -0.632 -9.727 0.000) 9.747 13.673 ( -2.590 -8.305 0.000) 8.700 14.009 ( 1.874 -9.262 0.000) 9.449 14.032 ( -0.273 -11.150 0.000) 11.154 16.100 ( 3.918 1.758 0.000) 4.294 16.154 ( -1.054 0.665 0.000) 1.246 16.378 ( 4.102 -4.809 0.000) 6.321 16.458 ( -3.808 -3.702 0.000) 5.311 17.386 ( 1.985 -13.971 0.000) 14.111 17.425 ( -1.669 -14.256 0.000) 14.354 17.673 ( 1.274 -15.245 0.000) 15.299 17.711 ( -2.676 -16.411 0.000) 16.627======================= Grid point 15 (10/72) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 0.000 21.955 0.000) 21.955 1.674 ( 0.000 23.481 0.000) 23.481 2.125 ( 0.000 8.781 0.000) 8.781 2.302 ( 0.000 14.882 0.000) 14.882 2.366 ( 0.000 3.005 0.000) 3.005 2.558 ( 0.000 0.393 0.000) 0.393 2.676 ( 0.000 4.562 0.000) 4.562 2.762 ( 0.000 4.739 0.000) 4.739 3.037 ( 0.000 6.522 0.000) 6.522 3.084 ( 0.000 5.695 0.000) 5.695 3.124 ( 0.000 13.991 0.000) 13.991 3.127 ( 0.000 18.570 0.000) 18.570 3.203 ( 0.000 4.174 0.000) 4.174 3.309 ( 0.000 40.166 0.000) 40.166 3.473 ( 0.000 22.168 0.000) 22.168 3.517 ( 0.000 17.975 0.000) 17.975 3.526 ( 0.000 20.919 0.000) 20.919 3.555 ( 0.000 1.402 0.000) 1.402 3.758 ( 0.000 20.225 0.000) 20.225 3.833 ( 0.000 23.918 0.000) 23.918 3.880 ( 0.000 18.777 0.000) 18.777 4.016 ( 0.000 24.015 0.000) 24.015 4.235 ( 0.000 4.148 0.000) 4.148 4.461 ( 0.000 26.111 0.000) 26.111 4.493 ( 0.000 30.904 0.000) 30.904 4.588 ( 0.000 -7.524 0.000) 7.524 4.630 ( 0.000 7.316 0.000) 7.316 4.640 ( 0.000 15.180 0.000) 15.180 4.709 ( 0.000 13.261 0.000) 13.261 4.756 ( 0.000 -3.215 0.000) 3.215 4.797 ( 0.000 3.598 0.000) 3.598 5.259 ( 0.000 -0.712 0.000) 0.712 5.329 ( 0.000 -1.091 0.000) 1.091 5.505 ( 0.000 -2.325 0.000) 2.325 5.579 ( 0.000 -4.446 0.000) 4.446 5.859 ( 0.000 3.397 0.000) 3.397 5.894 ( 0.000 0.932 0.000) 0.932 5.916 ( 0.000 -0.660 0.000) 0.660 6.476 ( 0.000 -10.380 0.000) 10.380 6.480 ( 0.000 -1.036 0.000) 1.036 7.897 ( 0.000 -2.101 0.000) 2.101 7.982 ( 0.000 -6.949 0.000) 6.949 8.182 ( 0.000 -3.951 0.000) 3.951 8.275 ( 0.000 -5.293 0.000) 5.293 8.449 ( 0.000 3.536 0.000) 3.536 8.526 ( 0.000 2.387 0.000) 2.387 8.895 ( 0.000 9.106 0.000) 9.106 8.973 ( 0.000 6.870 0.000) 6.870 9.470 ( 0.000 7.842 0.000) 7.842 9.626 ( 0.000 2.225 0.000) 2.225 9.675 ( 0.000 6.790 0.000) 6.790 9.785 ( 0.000 7.855 0.000) 7.855 10.020 ( 0.000 6.152 0.000) 6.152 10.135 ( 0.000 2.498 0.000) 2.498 10.168 ( 0.000 22.008 0.000) 22.008 10.365 ( 0.000 -4.799 0.000) 4.799 10.464 ( 0.000 -7.344 0.000) 7.344 10.523 ( 0.000 7.657 0.000) 7.657 10.836 ( 0.000 6.791 0.000) 6.791 11.135 ( 0.000 17.868 0.000) 17.868 11.185 ( 0.000 6.759 0.000) 6.759 11.224 ( 0.000 -0.657 0.000) 0.657 11.730 ( 0.000 3.271 0.000) 3.271 11.867 ( 0.000 -7.862 0.000) 7.862 12.068 ( 0.000 1.317 0.000) 1.317 12.294 ( 0.000 -6.158 0.000) 6.158 12.296 ( 0.000 9.320 0.000) 9.320 12.334 ( 0.000 -3.197 0.000) 3.197 12.666 ( 0.000 -4.145 0.000) 4.145 13.049 ( 0.000 -7.848 0.000) 7.848 13.205 ( 0.000 -4.235 0.000) 4.235 13.263 ( 0.000 6.143 0.000) 6.143 13.356 ( 0.000 -14.682 0.000) 14.682 13.725 ( 0.000 -10.098 0.000) 10.098 13.736 ( 0.000 -7.093 0.000) 7.093 13.748 ( 0.000 -9.734 0.000) 9.734 15.983 ( 0.000 -2.881 0.000) 2.881 16.126 ( 0.000 0.354 0.000) 0.354 16.169 ( 0.000 -4.483 0.000) 4.483 16.463 ( 0.000 -5.225 0.000) 5.225 17.076 ( 0.000 -14.110 0.000) 14.110 17.136 ( 0.000 -17.367 0.000) 17.367 17.301 ( 0.000 -18.373 0.000) 18.373 17.417 ( 0.000 -20.320 0.000) 20.320======================= Grid point 16 (11/72) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 6.082 20.878 0.000) 21.745 1.727 ( 5.085 21.874 0.000) 22.457 2.129 ( -0.756 9.967 0.000) 9.995 2.383 ( 7.599 12.044 0.000) 14.241 2.396 ( 3.843 3.709 0.000) 5.341 2.523 ( -14.498 3.919 0.000) 15.019 2.652 ( -0.388 4.495 0.000) 4.512 2.675 ( 4.280 4.047 0.000) 5.890 3.013 ( -4.652 7.372 0.000) 8.717 3.028 ( -8.318 9.083 0.000) 12.316 3.146 ( 1.843 11.920 0.000) 12.061 3.159 ( 5.308 7.029 0.000) 8.808 3.231 ( 3.580 7.032 0.000) 7.890 3.395 ( 5.368 35.394 0.000) 35.799 3.416 ( -3.101 24.700 0.000) 24.894 3.549 ( 5.861 16.238 0.000) 17.263 3.552 ( 0.414 20.250 0.000) 20.254 3.634 ( 4.166 8.078 0.000) 9.089 3.636 ( -4.600 18.538 0.000) 19.100 3.894 ( 1.315 18.659 0.000) 18.705 3.943 ( 0.972 25.726 0.000) 25.744 3.979 ( 0.801 22.501 0.000) 22.516 4.133 ( -9.511 3.454 0.000) 10.118 4.402 ( -5.284 23.416 0.000) 24.005 4.424 ( -2.797 24.737 0.000) 24.895 4.567 ( -9.984 3.357 0.000) 10.534 4.585 ( 1.047 9.511 0.000) 9.568 4.728 ( 5.582 8.465 0.000) 10.140 4.747 ( 3.074 2.543 0.000) 3.990 4.797 ( 0.202 5.879 0.000) 5.883 4.835 ( 9.696 10.055 0.000) 13.968 5.175 ( -7.996 0.662 0.000) 8.024 5.289 ( -4.122 -1.270 0.000) 4.313 5.435 ( -8.620 3.787 0.000) 9.415 5.567 ( 5.193 -6.944 0.000) 8.672 5.897 ( -1.979 -1.817 0.000) 2.687 5.943 ( 6.421 3.893 0.000) 7.509 6.056 ( 12.188 -4.053 0.000) 12.844 6.325 ( -7.732 -2.144 0.000) 8.024 6.560 ( 0.861 -8.097 0.000) 8.143 7.955 ( 4.307 -3.350 0.000) 5.456 7.959 ( -1.022 -5.351 0.000) 5.448 8.199 ( -3.869 -3.282 0.000) 5.074 8.272 ( 6.690 -4.037 0.000) 7.814 8.459 ( 1.018 1.212 0.000) 1.582 8.629 ( 7.787 3.146 0.000) 8.399 8.896 ( -0.007 10.343 0.000) 10.343 8.941 ( -4.707 4.771 0.000) 6.702 9.590 ( -0.668 1.538 0.000) 1.677 9.607 ( 12.265 6.356 0.000) 13.814 9.688 ( 1.389 7.943 0.000) 8.063 9.777 ( 0.424 11.261 0.000) 11.269 10.055 ( -4.133 11.601 0.000) 12.315 10.123 ( 5.516 7.870 0.000) 9.611 10.201 ( -0.538 5.643 0.000) 5.668 10.326 ( -1.820 -3.265 0.000) 3.738 10.460 ( 1.393 1.693 0.000) 2.193 10.563 ( 2.402 6.879 0.000) 7.286 10.823 ( -1.008 5.158 0.000) 5.256 11.063 ( -7.580 2.341 0.000) 7.933 11.252 ( 9.435 14.606 0.000) 17.389 11.260 ( 0.298 -2.037 0.000) 2.059 11.622 ( -9.111 1.334 0.000) 9.208 11.744 ( -10.748 -3.789 0.000) 11.396 11.998 ( -5.048 0.216 0.000) 5.053 12.306 ( -0.308 4.155 0.000) 4.166 12.356 ( 4.917 -4.481 0.000) 6.653 12.360 ( 2.176 3.514 0.000) 4.133 12.613 ( -4.244 -0.084 0.000) 4.245 12.965 ( -18.932 0.897 0.000) 18.953 13.152 ( 8.396 -8.594 0.000) 12.014 13.233 ( 1.838 -6.286 0.000) 6.550 13.445 ( 2.283 -4.999 0.000) 5.496 13.635 ( -6.827 -6.600 0.000) 9.495 13.751 ( 1.648 -12.427 0.000) 12.536 13.782 ( 0.548 -10.865 0.000) 10.879 16.022 ( 3.625 -2.323 0.000) 4.305 16.144 ( 1.381 -0.326 0.000) 1.419 16.201 ( 3.004 -4.207 0.000) 5.169 16.438 ( -2.400 -5.038 0.000) 5.581 17.072 ( -0.058 -15.088 0.000) 15.088 17.132 ( -0.504 -17.279 0.000) 17.287 17.320 ( 1.458 -17.878 0.000) 17.938 17.396 ( -1.832 -19.615 0.000) 19.700======================= Grid point 17 (12/72) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 13.817 15.278 0.000) 20.599 1.862 ( 7.649 17.590 0.000) 19.181 2.045 ( -6.820 14.574 0.000) 16.091 2.158 ( -18.785 10.345 0.000) 21.445 2.528 ( 8.653 4.952 0.000) 9.970 2.588 ( 11.156 7.165 0.000) 13.259 2.665 ( -1.469 5.897 0.000) 6.077 2.737 ( -1.795 4.329 0.000) 4.686 2.860 ( -4.986 3.478 0.000) 6.079 2.900 ( -5.642 3.951 0.000) 6.888 3.176 ( 1.950 14.757 0.000) 14.886 3.223 ( -0.666 13.452 0.000) 13.469 3.346 ( 1.062 16.703 0.000) 16.737 3.363 ( 9.153 7.502 0.000) 11.835 3.445 ( -6.203 14.808 0.000) 16.054 3.551 ( -3.166 17.669 0.000) 17.950 3.591 ( 5.736 24.057 0.000) 24.731 3.661 ( 1.749 21.607 0.000) 21.678 3.778 ( 5.376 12.338 0.000) 13.458 3.846 ( -5.533 21.874 0.000) 22.563 3.945 ( 5.111 14.645 0.000) 15.512 3.994 ( 1.878 14.554 0.000) 14.674 4.023 ( -1.671 26.881 0.000) 26.933 4.250 ( -14.590 1.346 0.000) 14.652 4.351 ( -3.007 26.772 0.000) 26.940 4.377 ( -2.561 24.306 0.000) 24.441 4.635 ( 3.806 7.522 0.000) 8.430 4.719 ( -3.958 2.959 0.000) 4.942 4.858 ( 7.096 8.770 0.000) 11.281 4.920 ( 8.808 7.077 0.000) 11.299 5.008 ( 5.023 7.826 0.000) 9.299 5.008 ( -7.852 4.074 0.000) 8.846 5.179 ( -4.454 -0.465 0.000) 4.478 5.256 ( -8.374 4.888 0.000) 9.696 5.708 ( 7.310 -6.509 0.000) 9.788 5.831 ( -4.730 -4.368 0.000) 6.438 6.070 ( 5.959 2.636 0.000) 6.516 6.187 ( -6.050 0.844 0.000) 6.108 6.305 ( 11.793 -6.691 0.000) 13.559 6.499 ( -6.845 -8.298 0.000) 10.757 7.957 ( 0.768 -3.926 0.000) 4.000 7.983 ( -1.332 -3.448 0.000) 3.696 8.226 ( 5.687 -3.682 0.000) 6.775 8.330 ( -2.724 -3.225 0.000) 4.222 8.544 ( 8.712 -1.006 0.000) 8.770 8.737 ( -5.362 2.612 0.000) 5.964 8.816 ( 0.992 5.809 0.000) 5.893 8.882 ( -1.892 10.475 0.000) 10.644 9.650 ( 5.536 4.689 0.000) 7.254 9.724 ( 0.822 8.976 0.000) 9.013 9.784 ( 0.970 9.020 0.000) 9.072 9.792 ( 0.308 13.460 0.000) 13.464 10.069 ( 4.404 4.793 0.000) 6.509 10.124 ( -3.401 2.518 0.000) 4.232 10.198 ( 5.754 2.379 0.000) 6.226 10.333 ( -1.012 3.628 0.000) 3.766 10.529 ( 4.142 9.096 0.000) 9.995 10.583 ( -0.828 8.593 0.000) 8.632 10.818 ( 1.535 0.066 0.000) 1.536 10.919 ( -7.220 -0.909 0.000) 7.277 11.228 ( -1.484 -7.434 0.000) 7.580 11.307 ( -6.924 4.272 0.000) 8.136 11.538 ( 2.617 1.861 0.000) 3.212 11.572 ( -3.406 4.334 0.000) 5.512 11.972 ( 5.665 3.580 0.000) 6.702 12.197 ( -11.556 3.717 0.000) 12.139 12.423 ( 3.943 7.267 0.000) 8.268 12.459 ( 4.611 -3.330 0.000) 5.687 12.524 ( -3.629 5.145 0.000) 6.296 12.628 ( -11.843 -1.002 0.000) 11.886 13.322 ( 6.665 -3.638 0.000) 7.593 13.322 ( 7.586 -6.968 0.000) 10.301 13.435 ( -3.080 -7.491 0.000) 8.099 13.480 ( -8.229 -6.580 0.000) 10.536 13.770 ( 0.431 -13.892 0.000) 13.898 13.779 ( -0.484 -12.954 0.000) 12.963 16.105 ( 3.902 -1.436 0.000) 4.158 16.155 ( -0.842 -0.858 0.000) 1.202 16.279 ( 4.552 -4.490 0.000) 6.394 16.370 ( -4.208 -4.759 0.000) 6.353 17.083 ( 1.133 -16.462 0.000) 16.501 17.111 ( -1.457 -17.095 0.000) 17.157 17.344 ( 0.896 -17.487 0.000) 17.510 17.362 ( -1.191 -18.180 0.000) 18.219======================= Grid point 20 (13/72) =======================q-point: ( 0.00 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 0.000 17.066 0.000) 17.066 2.086 ( 0.000 18.310 0.000) 18.310 2.310 ( 0.000 9.837 0.000) 9.837 2.412 ( 0.000 1.927 0.000) 1.927 2.554 ( 0.000 -0.421 0.000) 0.421 2.594 ( 0.000 14.373 0.000) 14.373 2.763 ( 0.000 4.267 0.000) 4.267 2.897 ( 0.000 8.873 0.000) 8.873 3.066 ( 0.000 -0.911 0.000) 0.911 3.074 ( 0.000 -2.018 0.000) 2.018 3.250 ( 0.000 1.569 0.000) 1.569 3.360 ( 0.000 10.695 0.000) 10.695 3.397 ( 0.000 8.414 0.000) 8.414 3.507 ( 0.000 -2.198 0.000) 2.198 3.770 ( 0.000 9.352 0.000) 9.352 3.858 ( 0.000 13.219 0.000) 13.219 3.864 ( 0.000 11.479 0.000) 11.479 4.062 ( 0.000 8.927 0.000) 8.927 4.125 ( 0.000 27.671 0.000) 27.671 4.184 ( 0.000 10.184 0.000) 10.184 4.284 ( 0.000 14.541 0.000) 14.541 4.323 ( 0.000 6.653 0.000) 6.653 4.466 ( 0.000 15.016 0.000) 15.016 4.506 ( 0.000 11.793 0.000) 11.793 4.700 ( 0.000 8.932 0.000) 8.932 4.753 ( 0.000 8.715 0.000) 8.715 4.892 ( 0.000 6.149 0.000) 6.149 4.955 ( 0.000 9.707 0.000) 9.707 4.997 ( 0.000 13.413 0.000) 13.413 4.999 ( 0.000 21.328 0.000) 21.328 5.085 ( 0.000 28.525 0.000) 28.525 5.189 ( 0.000 -5.668 0.000) 5.668 5.420 ( 0.000 13.219 0.000) 13.219 5.544 ( 0.000 2.625 0.000) 2.625 5.631 ( 0.000 14.656 0.000) 14.656 5.906 ( 0.000 0.864 0.000) 0.864 5.923 ( 0.000 2.205 0.000) 2.205 5.975 ( 0.000 8.096 0.000) 8.096 6.314 ( 0.000 -5.856 0.000) 5.856 6.473 ( 0.000 0.127 0.000) 0.127 7.878 ( 0.000 0.163 0.000) 0.163 7.884 ( 0.000 -2.351 0.000) 2.351 8.133 ( 0.000 -0.529 0.000) 0.529 8.195 ( 0.000 -2.691 0.000) 2.691 8.500 ( 0.000 1.734 0.000) 1.734 8.566 ( 0.000 1.771 0.000) 1.771 8.987 ( 0.000 1.514 0.000) 1.514 9.042 ( 0.000 0.333 0.000) 0.333 9.534 ( 0.000 -5.083 0.000) 5.083 9.593 ( 0.000 4.276 0.000) 4.276 9.790 ( 0.000 6.174 0.000) 6.174 9.905 ( 0.000 0.492 0.000) 0.492 10.144 ( 0.000 1.555 0.000) 1.555 10.163 ( 0.000 -10.437 0.000) 10.437 10.199 ( 0.000 3.343 0.000) 3.343 10.265 ( 0.000 -0.381 0.000) 0.381 10.702 ( 0.000 18.803 0.000) 18.803 10.728 ( 0.000 13.054 0.000) 13.054 11.028 ( 0.000 10.636 0.000) 10.636 11.161 ( 0.000 -6.569 0.000) 6.569 11.324 ( 0.000 6.172 0.000) 6.172 11.459 ( 0.000 12.634 0.000) 12.634 11.731 ( 0.000 -5.981 0.000) 5.981 11.768 ( 0.000 2.332 0.000) 2.332 12.139 ( 0.000 6.138 0.000) 6.138 12.218 ( 0.000 -2.653 0.000) 2.653 12.231 ( 0.000 -7.266 0.000) 7.266 12.580 ( 0.000 15.039 0.000) 15.039 12.588 ( 0.000 -3.354 0.000) 3.354 12.786 ( 0.000 -16.965 0.000) 16.965 12.896 ( 0.000 -18.312 0.000) 18.312 13.281 ( 0.000 0.951 0.000) 0.951 13.291 ( 0.000 -2.499 0.000) 2.499 13.482 ( 0.000 -16.946 0.000) 16.946 13.609 ( 0.000 -6.602 0.000) 6.602 13.644 ( 0.000 1.258 0.000) 1.258 15.903 ( 0.000 -4.390 0.000) 4.390 16.103 ( 0.000 -2.301 0.000) 2.301 16.152 ( 0.000 2.414 0.000) 2.414 16.355 ( 0.000 -5.640 0.000) 5.640 16.794 ( 0.000 -16.814 0.000) 16.814 16.800 ( 0.000 -13.470 0.000) 13.470 16.942 ( 0.000 -17.447 0.000) 17.447 17.050 ( 0.000 -16.403 0.000) 16.403======================= Grid point 21 (14/72) =======================q-point: ( 0.20 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 4.355 16.909 0.000) 17.461 2.112 ( 2.531 17.204 0.000) 17.389 2.318 ( 0.719 9.363 0.000) 9.390 2.436 ( 2.560 1.172 0.000) 2.816 2.571 ( -3.105 0.820 0.000) 3.212 2.623 ( 1.918 11.042 0.000) 11.207 2.748 ( 0.994 5.635 0.000) 5.722 2.804 ( -0.806 9.216 0.000) 9.251 3.117 ( -4.695 4.428 0.000) 6.454 3.121 ( -1.405 0.772 0.000) 1.603 3.188 ( 2.137 -0.834 0.000) 2.294 3.236 ( -3.492 5.199 0.000) 6.263 3.433 ( 2.548 7.374 0.000) 7.801 3.573 ( 2.082 0.695 0.000) 2.195 3.779 ( 0.114 8.452 0.000) 8.453 3.851 ( -1.019 7.553 0.000) 7.621 3.873 ( -12.025 6.836 0.000) 13.832 3.936 ( 6.079 13.451 0.000) 14.761 4.109 ( -0.349 21.532 0.000) 21.535 4.196 ( -2.775 15.296 0.000) 15.546 4.330 ( 5.727 9.427 0.000) 11.030 4.400 ( -3.334 15.484 0.000) 15.839 4.444 ( 5.933 25.778 0.000) 26.452 4.535 ( 3.619 2.968 0.000) 4.680 4.543 ( -10.810 9.774 0.000) 14.574 4.798 ( 0.294 6.658 0.000) 6.665 4.866 ( -2.995 7.659 0.000) 8.224 4.938 ( -0.451 15.261 0.000) 15.268 4.982 ( -3.167 15.638 0.000) 15.956 4.987 ( 1.287 15.257 0.000) 15.311 5.184 ( 6.978 21.743 0.000) 22.835 5.243 ( 3.490 1.100 0.000) 3.660 5.398 ( -2.045 14.896 0.000) 15.036 5.499 ( 1.001 5.369 0.000) 5.462 5.622 ( -4.109 15.677 0.000) 16.207 5.869 ( -3.668 0.451 0.000) 3.696 5.990 ( 7.783 -2.250 0.000) 8.101 6.048 ( 5.087 6.641 0.000) 8.365 6.276 ( -3.148 -2.920 0.000) 4.294 6.454 ( -2.387 -2.457 0.000) 3.425 7.890 ( 0.724 -1.391 0.000) 1.568 7.912 ( 2.674 -0.952 0.000) 2.839 8.157 ( -2.025 -0.855 0.000) 2.198 8.207 ( 6.144 -1.772 0.000) 6.394 8.478 ( -1.531 1.002 0.000) 1.829 8.675 ( 9.397 1.595 0.000) 9.531 8.980 ( -7.086 0.023 0.000) 7.086 9.020 ( 2.232 3.082 0.000) 3.805 9.538 ( 2.653 -3.680 0.000) 4.536 9.688 ( 8.134 2.000 0.000) 8.376 9.808 ( 2.311 5.336 0.000) 5.815 9.912 ( 0.982 1.149 0.000) 1.512 10.133 ( -2.371 -8.372 0.000) 8.701 10.196 ( 0.109 5.559 0.000) 5.560 10.231 ( 1.027 -6.305 0.000) 6.388 10.291 ( 6.999 9.086 0.000) 11.469 10.711 ( 0.587 14.488 0.000) 14.500 10.750 ( 1.783 11.726 0.000) 11.861 10.970 ( -4.902 8.970 0.000) 10.222 11.053 ( -7.022 -4.662 0.000) 8.429 11.227 ( -10.875 -1.316 0.000) 10.954 11.508 ( 0.920 7.401 0.000) 7.458 11.654 ( -7.057 5.277 0.000) 8.812 11.709 ( -1.466 0.260 0.000) 1.489 12.031 ( -4.513 2.611 0.000) 5.214 12.274 ( 3.118 -5.238 0.000) 6.096 12.332 ( 6.292 2.123 0.000) 6.640 12.594 ( 0.582 13.193 0.000) 13.206 12.632 ( 2.526 1.879 0.000) 3.148 12.851 ( 6.703 -19.624 0.000) 20.738 12.859 ( -6.785 -13.711 0.000) 15.298 13.069 ( -7.510 -0.607 0.000) 7.534 13.379 ( 0.165 -6.349 0.000) 6.351 13.433 ( -4.530 -15.886 0.000) 16.519 13.605 ( -0.364 -6.159 0.000) 6.170 13.633 ( -1.050 0.753 0.000) 1.292 15.954 ( 4.566 -3.856 0.000) 5.977 16.104 ( 0.492 -2.852 0.000) 2.894 16.183 ( 2.239 1.617 0.000) 2.762 16.336 ( -1.846 -5.319 0.000) 5.630 16.777 ( -1.529 -14.471 0.000) 14.552 16.792 ( -0.369 -16.734 0.000) 16.738 16.976 ( 2.496 -16.393 0.000) 16.582 17.040 ( -0.760 -15.904 0.000) 15.923======================= Grid point 22 (15/72) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( 7.469 14.019 0.000) 15.885 2.170 ( 1.872 13.722 0.000) 13.849 2.305 ( -2.247 11.381 0.000) 11.601 2.345 ( -9.342 8.079 0.000) 12.351 2.597 ( 7.512 2.032 0.000) 7.782 2.675 ( 2.327 2.690 0.000) 3.557 2.825 ( 5.217 7.291 0.000) 8.965 2.866 ( 2.016 9.589 0.000) 9.799 2.945 ( -8.409 7.956 0.000) 11.576 2.965 ( -7.469 3.104 0.000) 8.088 3.294 ( 6.807 0.871 0.000) 6.862 3.326 ( 5.629 -0.021 0.000) 5.629 3.490 ( 3.028 4.455 0.000) 5.386 3.550 ( -3.432 4.223 0.000) 5.442 3.646 ( -9.067 4.382 0.000) 10.070 3.646 ( -8.691 0.782 0.000) 8.727 3.971 ( 10.552 6.768 0.000) 12.536 4.054 ( 5.197 15.980 0.000) 16.804 4.143 ( -3.336 16.504 0.000) 16.837 4.168 ( 5.725 20.774 0.000) 21.549 4.201 ( -10.827 3.711 0.000) 11.445 4.320 ( -9.395 19.700 0.000) 21.826 4.529 ( 6.611 16.124 0.000) 17.426 4.550 ( 4.491 30.704 0.000) 31.030 4.640 ( 5.712 0.496 0.000) 5.734 4.750 ( -4.549 2.536 0.000) 5.208 4.795 ( -2.946 9.258 0.000) 9.715 4.834 ( -6.868 20.072 0.000) 21.214 4.993 ( 2.485 8.719 0.000) 9.066 5.017 ( 0.559 10.246 0.000) 10.261 5.293 ( 1.726 15.107 0.000) 15.206 5.308 ( 2.648 17.510 0.000) 17.709 5.371 ( 2.350 19.714 0.000) 19.854 5.492 ( -6.817 16.693 0.000) 18.031 5.613 ( 7.446 2.006 0.000) 7.711 5.763 ( -6.734 -0.110 0.000) 6.735 6.132 ( 4.427 1.350 0.000) 4.628 6.190 ( 9.514 -2.362 0.000) 9.802 6.208 ( -3.456 0.462 0.000) 3.487 6.361 ( -6.925 -4.507 0.000) 8.262 7.913 ( 1.389 -0.719 0.000) 1.564 7.937 ( -0.591 -1.252 0.000) 1.384 8.179 ( 4.372 -0.668 0.000) 4.422 8.270 ( -2.348 -2.249 0.000) 3.252 8.528 ( 8.670 0.417 0.000) 8.680 8.755 ( -11.292 0.492 0.000) 11.303 8.895 ( 8.303 2.169 0.000) 8.582 9.021 ( -3.067 4.021 0.000) 5.057 9.652 ( 7.330 -2.725 0.000) 7.820 9.770 ( -2.498 -2.079 0.000) 3.250 9.916 ( 7.478 4.367 0.000) 8.659 9.955 ( 2.906 3.201 0.000) 4.323 10.085 ( -2.503 -2.708 0.000) 3.688 10.146 ( -7.332 -1.081 0.000) 7.411 10.297 ( 11.990 7.001 0.000) 13.885 10.442 ( 3.105 6.858 0.000) 7.528 10.701 ( -1.418 2.483 0.000) 2.860 10.755 ( -4.120 5.804 0.000) 7.118 10.889 ( -2.039 9.902 0.000) 10.110 10.919 ( -8.130 3.500 0.000) 8.852 11.069 ( 4.821 -8.303 0.000) 9.601 11.300 ( -14.855 -2.227 0.000) 15.021 11.668 ( 1.860 8.423 0.000) 8.625 11.686 ( -0.773 6.239 0.000) 6.287 12.061 ( 8.590 4.573 0.000) 9.731 12.267 ( -6.645 1.989 0.000) 6.936 12.438 ( 4.286 0.863 0.000) 4.372 12.536 ( -6.626 -0.913 0.000) 6.688 12.663 ( 0.869 7.886 0.000) 7.934 12.689 ( -3.417 9.728 0.000) 10.310 13.008 ( 6.901 -18.924 0.000) 20.143 13.053 ( 1.750 -14.410 0.000) 14.516 13.329 ( -3.499 -10.475 0.000) 11.044 13.331 ( -4.266 -13.573 0.000) 14.228 13.600 ( 0.044 -4.156 0.000) 4.157 13.610 ( -0.955 -1.396 0.000) 1.692 16.055 ( 4.584 -3.080 0.000) 5.523 16.110 ( -0.708 -3.283 0.000) 3.358 16.228 ( 2.398 -0.883 0.000) 2.555 16.285 ( -3.027 -3.913 0.000) 4.947 16.761 ( 0.110 -15.696 0.000) 15.696 16.776 ( -1.102 -16.430 0.000) 16.467 17.016 ( 1.218 -15.297 0.000) 15.345 17.029 ( -0.333 -15.137 0.000) 15.140======================= Grid point 25 (16/72) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( 0.000 12.796 0.000) 12.796 2.371 ( 0.000 8.796 0.000) 8.796 2.469 ( 0.000 6.123 0.000) 6.123 2.503 ( 0.000 9.626 0.000) 9.626 2.547 ( 0.000 -0.326 0.000) 0.326 2.810 ( 0.000 4.273 0.000) 4.273 2.883 ( 0.000 10.926 0.000) 10.926 3.024 ( 0.000 -3.113 0.000) 3.113 3.031 ( 0.000 -2.450 0.000) 2.450 3.100 ( 0.000 11.460 0.000) 11.460 3.285 ( 0.000 2.302 0.000) 2.302 3.460 ( 0.000 -2.485 0.000) 2.485 3.492 ( 0.000 2.015 0.000) 2.015 3.563 ( 0.000 10.032 0.000) 10.032 3.863 ( 0.000 1.463 0.000) 1.463 3.958 ( 0.000 -0.165 0.000) 0.165 3.981 ( 0.000 0.244 0.000) 0.244 4.115 ( 0.000 -1.936 0.000) 1.936 4.163 ( 0.000 -8.711 0.000) 8.711 4.216 ( 0.000 -4.443 0.000) 4.443 4.495 ( 0.000 8.284 0.000) 8.284 4.570 ( 0.000 0.855 0.000) 0.855 4.607 ( 0.000 18.438 0.000) 18.438 4.922 ( 0.000 0.823 0.000) 0.823 4.943 ( 0.000 -7.697 0.000) 7.697 4.995 ( 0.000 12.415 0.000) 12.415 5.030 ( 0.000 13.934 0.000) 13.934 5.030 ( 0.000 17.558 0.000) 17.558 5.205 ( 0.000 18.323 0.000) 18.323 5.286 ( 0.000 13.562 0.000) 13.562 5.338 ( 0.000 13.138 0.000) 13.138 5.594 ( 0.000 22.800 0.000) 22.800 5.693 ( 0.000 10.934 0.000) 10.934 5.776 ( 0.000 19.234 0.000) 19.234 5.901 ( 0.000 7.190 0.000) 7.190 6.011 ( 0.000 9.972 0.000) 9.972 6.056 ( 0.000 15.056 0.000) 15.056 6.177 ( 0.000 12.242 0.000) 12.242 6.243 ( 0.000 -1.678 0.000) 1.678 6.473 ( 0.000 -0.384 0.000) 0.384 7.897 ( 0.000 3.464 0.000) 3.464 7.904 ( 0.000 2.617 0.000) 2.617 8.168 ( 0.000 -0.302 0.000) 0.302 8.170 ( 0.000 4.109 0.000) 4.109 8.526 ( 0.000 1.129 0.000) 1.129 8.608 ( 0.000 2.865 0.000) 2.865 8.986 ( 0.000 -1.231 0.000) 1.231 9.006 ( 0.000 -3.367 0.000) 3.367 9.504 ( 0.000 2.375 0.000) 2.375 9.650 ( 0.000 1.892 0.000) 1.892 9.831 ( 0.000 -6.605 0.000) 6.605 9.918 ( 0.000 3.407 0.000) 3.407 9.998 ( 0.000 -2.384 0.000) 2.384 10.008 ( 0.000 -9.811 0.000) 9.811 10.257 ( 0.000 2.950 0.000) 2.950 10.427 ( 0.000 11.451 0.000) 11.451 10.940 ( 0.000 4.345 0.000) 4.345 10.954 ( 0.000 -14.283 0.000) 14.283 11.004 ( 0.000 14.344 0.000) 14.344 11.231 ( 0.000 10.386 0.000) 10.386 11.395 ( 0.000 0.609 0.000) 0.609 11.543 ( 0.000 -3.034 0.000) 3.034 11.625 ( 0.000 -4.988 0.000) 4.988 11.891 ( 0.000 8.002 0.000) 8.002 12.070 ( 0.000 -8.426 0.000) 8.426 12.079 ( 0.000 -13.702 0.000) 13.702 12.304 ( 0.000 9.917 0.000) 9.917 12.404 ( 0.000 -21.350 0.000) 21.350 12.526 ( 0.000 -5.788 0.000) 5.788 12.551 ( 0.000 0.003 0.000) 0.003 12.985 ( 0.000 14.937 0.000) 14.937 13.107 ( 0.000 -20.492 0.000) 20.492 13.252 ( 0.000 -0.373 0.000) 0.373 13.319 ( 0.000 2.844 0.000) 2.844 13.456 ( 0.000 -9.059 0.000) 9.059 13.679 ( 0.000 0.678 0.000) 0.678 15.839 ( 0.000 -1.614 0.000) 1.614 16.069 ( 0.000 -1.315 0.000) 1.315 16.222 ( 0.000 4.512 0.000) 4.512 16.245 ( 0.000 -5.538 0.000) 5.538 16.494 ( 0.000 -13.389 0.000) 13.389 16.564 ( 0.000 -10.205 0.000) 10.205 16.639 ( 0.000 -13.006 0.000) 13.006 16.790 ( 0.000 -10.022 0.000) 10.022======================= Grid point 26 (17/72) =======================q-point: ( 0.20 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( 3.875 12.540 0.000) 13.125 2.389 ( 1.653 9.531 0.000) 9.673 2.472 ( 0.416 4.139 0.000) 4.160 2.498 ( -0.316 8.845 0.000) 8.851 2.573 ( 1.114 -0.236 0.000) 1.139 2.762 ( -3.184 3.582 0.000) 4.792 2.892 ( 0.852 7.873 0.000) 7.919 2.984 ( 0.965 6.579 0.000) 6.650 3.099 ( 5.783 -2.099 0.000) 6.152 3.187 ( -3.474 2.801 0.000) 4.463 3.207 ( 1.458 4.779 0.000) 4.997 3.379 ( -7.020 8.690 0.000) 11.172 3.514 ( 1.448 1.753 0.000) 2.274 3.558 ( 0.573 -1.581 0.000) 1.682 3.836 ( -8.847 -1.149 0.000) 8.922 3.893 ( -12.035 -2.808 0.000) 12.358 3.920 ( 3.396 1.570 0.000) 3.741 4.058 ( 3.722 -0.389 0.000) 3.743 4.261 ( 7.998 -2.328 0.000) 8.329 4.338 ( 3.908 -3.941 0.000) 5.550 4.476 ( -2.160 8.306 0.000) 8.582 4.533 ( -0.873 1.375 0.000) 1.629 4.635 ( 2.942 15.860 0.000) 16.131 4.878 ( -7.400 17.428 0.000) 18.934 4.889 ( -2.734 1.281 0.000) 3.019 4.997 ( -2.829 7.153 0.000) 7.692 5.025 ( 2.747 -0.950 0.000) 2.907 5.065 ( 2.636 13.342 0.000) 13.600 5.212 ( 0.745 16.871 0.000) 16.888 5.293 ( 0.113 12.257 0.000) 12.257 5.344 ( 2.187 14.348 0.000) 14.513 5.605 ( 0.347 19.625 0.000) 19.628 5.753 ( 4.905 14.890 0.000) 15.677 5.772 ( 0.083 19.814 0.000) 19.814 5.948 ( 3.718 7.121 0.000) 8.033 5.993 ( -1.653 12.165 0.000) 12.276 6.023 ( -2.201 14.338 0.000) 14.506 6.210 ( 2.702 9.853 0.000) 10.217 6.230 ( -1.237 -1.207 0.000) 1.729 6.438 ( -3.373 -0.019 0.000) 3.373 7.905 ( 0.752 2.762 0.000) 2.863 7.921 ( 1.344 1.959 0.000) 2.376 8.164 ( 0.161 1.303 0.000) 1.313 8.218 ( 3.930 2.756 0.000) 4.800 8.515 ( -0.094 3.054 0.000) 3.055 8.698 ( 8.352 1.160 0.000) 8.432 8.970 ( -4.746 -0.675 0.000) 4.794 9.035 ( 3.515 -1.087 0.000) 3.680 9.500 ( 1.593 0.618 0.000) 1.709 9.708 ( 4.321 0.205 0.000) 4.326 9.857 ( 2.889 -5.495 0.000) 6.208 9.904 ( -0.818 3.617 0.000) 3.708 9.985 ( -0.125 -5.094 0.000) 5.095 10.076 ( 4.136 -9.322 0.000) 10.199 10.296 ( 3.711 5.232 0.000) 6.415 10.483 ( 5.001 10.350 0.000) 11.495 10.840 ( -9.157 -0.959 0.000) 9.207 10.842 ( -6.911 -11.824 0.000) 13.695 11.027 ( 0.513 11.457 0.000) 11.468 11.179 ( -3.281 11.311 0.000) 11.777 11.212 ( -13.979 0.152 0.000) 13.980 11.547 ( -5.118 0.378 0.000) 5.132 11.721 ( 5.226 -0.100 0.000) 5.227 11.802 ( -3.753 4.460 0.000) 5.829 12.021 ( -2.378 -6.450 0.000) 6.874 12.113 ( 4.677 -10.737 0.000) 11.711 12.413 ( -0.200 -20.108 0.000) 20.109 12.430 ( 6.882 7.159 0.000) 9.930 12.512 ( 3.556 -10.359 0.000) 10.952 12.677 ( 8.088 2.412 0.000) 8.440 12.961 ( -2.661 13.347 0.000) 13.610 13.075 ( -2.607 -18.955 0.000) 19.134 13.116 ( -10.271 4.007 0.000) 11.025 13.284 ( -4.601 -2.048 0.000) 5.037 13.474 ( 1.757 -7.753 0.000) 7.949 13.656 ( -2.333 0.048 0.000) 2.333 15.897 ( 5.142 -1.510 0.000) 5.359 16.058 ( -0.607 -1.794 0.000) 1.894 16.229 ( -1.225 -5.521 0.000) 5.655 16.234 ( 0.461 3.196 0.000) 3.229 16.495 ( 0.100 -12.898 0.000) 12.898 16.527 ( -2.221 -10.344 0.000) 10.579 16.695 ( 3.841 -11.985 0.000) 12.585 16.787 ( -0.192 -9.793 0.000) 9.795======================= Grid point 27 (18/72) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( 3.938 11.228 0.000) 11.898 2.404 ( -2.070 10.007 0.000) 10.219 2.466 ( 0.317 4.597 0.000) 4.608 2.490 ( -0.932 7.732 0.000) 7.788 2.622 ( 4.731 0.964 0.000) 4.828 2.710 ( -2.804 0.909 0.000) 2.947 2.916 ( 2.245 3.573 0.000) 4.220 3.010 ( -5.484 2.224 0.000) 5.918 3.112 ( 4.526 13.232 0.000) 13.985 3.177 ( -0.395 10.691 0.000) 10.699 3.284 ( 3.152 -1.217 0.000) 3.378 3.297 ( 1.025 0.627 0.000) 1.202 3.540 ( 1.397 1.378 0.000) 1.962 3.574 ( 1.087 -2.511 0.000) 2.736 3.631 ( -9.209 0.394 0.000) 9.218 3.662 ( -9.137 -1.048 0.000) 9.197 4.018 ( 5.555 -0.559 0.000) 5.583 4.102 ( -1.265 -4.718 0.000) 4.884 4.352 ( 0.789 6.638 0.000) 6.684 4.405 ( -2.407 6.236 0.000) 6.685 4.444 ( 7.352 4.847 0.000) 8.807 4.560 ( -0.592 -3.057 0.000) 3.114 4.715 ( 4.153 10.544 0.000) 11.332 4.749 ( -3.161 16.021 0.000) 16.330 4.824 ( -2.934 5.267 0.000) 6.029 4.872 ( -6.476 11.209 0.000) 12.945 5.103 ( 2.554 -1.976 0.000) 3.230 5.111 ( 1.508 8.045 0.000) 8.185 5.230 ( 0.952 16.713 0.000) 16.740 5.260 ( -2.142 17.884 0.000) 18.012 5.450 ( 6.632 10.388 0.000) 12.324 5.568 ( -4.360 12.157 0.000) 12.915 5.804 ( 3.117 21.955 0.000) 22.176 5.839 ( 2.086 19.160 0.000) 19.273 5.934 ( -2.255 20.312 0.000) 20.436 5.951 ( -2.306 16.662 0.000) 16.821 6.085 ( 6.094 -1.225 0.000) 6.216 6.187 ( -3.478 -1.297 0.000) 3.712 6.271 ( 3.379 6.579 0.000) 7.396 6.352 ( -4.656 2.431 0.000) 5.252 7.923 ( 0.950 1.724 0.000) 1.968 7.936 ( -0.106 1.272 0.000) 1.276 8.197 ( 3.083 1.981 0.000) 3.665 8.255 ( -1.401 0.631 0.000) 1.536 8.588 ( 8.224 5.920 0.000) 10.133 8.792 ( -9.758 3.677 0.000) 10.427 8.909 ( 9.019 -0.100 0.000) 9.019 9.051 ( -3.303 -0.395 0.000) 3.326 9.595 ( 6.825 -2.072 0.000) 7.133 9.720 ( -4.175 -2.106 0.000) 4.676 9.939 ( 5.553 -2.072 0.000) 5.927 9.946 ( 5.393 -3.500 0.000) 6.429 10.013 ( 0.401 -4.111 0.000) 4.130 10.074 ( -5.091 -6.272 0.000) 8.078 10.430 ( 10.544 5.998 0.000) 12.131 10.538 ( -0.240 0.812 0.000) 0.847 10.657 ( -6.054 -4.497 0.000) 7.541 10.810 ( -17.827 -0.212 0.000) 17.828 10.881 ( 11.732 -2.558 0.000) 12.008 11.110 ( -5.402 9.535 0.000) 10.959 11.122 ( 3.224 11.362 0.000) 11.811 11.286 ( -15.373 2.244 0.000) 15.536 11.783 ( 1.492 3.057 0.000) 3.401 11.800 ( 0.015 3.846 0.000) 3.846 12.066 ( 7.231 -6.728 0.000) 9.877 12.197 ( -0.823 -10.760 0.000) 10.791 12.385 ( 0.146 -12.962 0.000) 12.963 12.444 ( -2.690 -2.975 0.000) 4.011 12.692 ( 9.603 -5.484 0.000) 11.058 12.835 ( 7.139 5.357 0.000) 8.926 12.855 ( -7.336 3.114 0.000) 7.969 12.953 ( -5.439 7.023 0.000) 8.883 13.046 ( 1.251 -12.316 0.000) 12.379 13.150 ( -7.683 -5.479 0.000) 9.436 13.523 ( 3.054 -4.838 0.000) 5.721 13.593 ( -3.647 -1.893 0.000) 4.109 16.005 ( 4.463 -1.753 0.000) 4.794 16.051 ( -0.546 -2.495 0.000) 2.554 16.209 ( -0.380 -4.049 0.000) 4.067 16.223 ( -1.297 -0.237 0.000) 1.318 16.494 ( -0.207 -11.318 0.000) 11.320 16.496 ( -0.714 -10.352 0.000) 10.377 16.759 ( 2.199 -10.743 0.000) 10.966 16.783 ( -0.395 -9.844 0.000) 9.852======================= Grid point 30 (19/72) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.432 ( 0.000 10.707 0.000) 10.707 2.446 ( 0.000 2.054 0.000) 2.054 2.538 ( 0.000 -0.668 0.000) 0.668 2.647 ( 0.000 8.943 0.000) 8.943 2.675 ( 0.000 7.535 0.000) 7.535 2.849 ( 0.000 0.637 0.000) 0.637 2.945 ( 0.000 -5.142 0.000) 5.142 2.974 ( 0.000 -3.339 0.000) 3.339 3.099 ( 0.000 10.022 0.000) 10.022 3.334 ( 0.000 12.072 0.000) 12.072 3.343 ( 0.000 3.529 0.000) 3.529 3.410 ( 0.000 -2.565 0.000) 2.565 3.501 ( 0.000 -0.655 0.000) 0.655 3.739 ( 0.000 7.269 0.000) 7.269 3.859 ( 0.000 -1.216 0.000) 1.216 3.917 ( 0.000 -5.985 0.000) 5.985 3.918 ( 0.000 -3.015 0.000) 3.015 4.004 ( 0.000 -6.790 0.000) 6.790 4.044 ( 0.000 -4.184 0.000) 4.184 4.098 ( 0.000 -6.312 0.000) 6.312 4.558 ( 0.000 -1.082 0.000) 1.082 4.590 ( 0.000 2.638 0.000) 2.638 4.761 ( 0.000 -8.769 0.000) 8.769 4.899 ( 0.000 9.605 0.000) 9.605 4.994 ( 0.000 -5.605 0.000) 5.605 4.997 ( 0.000 5.881 0.000) 5.881 5.235 ( 0.000 10.312 0.000) 10.312 5.308 ( 0.000 10.352 0.000) 10.352 5.516 ( 0.000 8.192 0.000) 8.192 5.518 ( 0.000 5.493 0.000) 5.493 5.698 ( 0.000 22.518 0.000) 22.518 5.915 ( 0.000 10.655 0.000) 10.655 5.960 ( 0.000 13.917 0.000) 13.917 6.009 ( 0.000 5.547 0.000) 5.547 6.096 ( 0.000 12.431 0.000) 12.431 6.225 ( 0.000 6.031 0.000) 6.031 6.243 ( 0.000 5.299 0.000) 5.299 6.370 ( 0.000 13.956 0.000) 13.956 6.419 ( 0.000 11.185 0.000) 11.185 6.453 ( 0.000 -1.479 0.000) 1.479 7.983 ( 0.000 5.284 0.000) 5.284 8.006 ( 0.000 7.178 0.000) 7.178 8.170 ( 0.000 0.154 0.000) 0.154 8.265 ( 0.000 4.116 0.000) 4.116 8.560 ( 0.000 3.110 0.000) 3.110 8.679 ( 0.000 4.094 0.000) 4.094 8.928 ( 0.000 -4.344 0.000) 4.344 8.938 ( 0.000 -3.926 0.000) 3.926 9.613 ( 0.000 6.617 0.000) 6.617 9.681 ( 0.000 1.547 0.000) 1.547 9.708 ( 0.000 -2.834 0.000) 2.834 9.818 ( 0.000 -9.038 0.000) 9.038 9.843 ( 0.000 -4.570 0.000) 4.570 10.158 ( 0.000 12.415 0.000) 12.415 10.342 ( 0.000 6.203 0.000) 6.203 10.616 ( 0.000 -17.120 0.000) 17.120 10.670 ( 0.000 10.861 0.000) 10.861 10.903 ( 0.000 -6.666 0.000) 6.666 11.274 ( 0.000 12.789 0.000) 12.789 11.344 ( 0.000 -5.726 0.000) 5.726 11.347 ( 0.000 -18.516 0.000) 18.516 11.428 ( 0.000 9.246 0.000) 9.246 11.542 ( 0.000 -2.930 0.000) 2.930 11.766 ( 0.000 -9.711 0.000) 9.711 11.911 ( 0.000 -7.827 0.000) 7.827 12.004 ( 0.000 -18.315 0.000) 18.315 12.061 ( 0.000 5.956 0.000) 5.956 12.462 ( 0.000 4.242 0.000) 4.242 12.508 ( 0.000 1.265 0.000) 1.265 12.593 ( 0.000 0.137 0.000) 0.137 12.740 ( 0.000 -10.933 0.000) 10.933 13.221 ( 0.000 9.074 0.000) 9.074 13.260 ( 0.000 -10.613 0.000) 10.613 13.277 ( 0.000 2.579 0.000) 2.579 13.383 ( 0.000 3.180 0.000) 3.180 13.649 ( 0.000 -3.658 0.000) 3.658 15.848 ( 0.000 2.479 0.000) 2.479 16.052 ( 0.000 -0.325 0.000) 0.325 16.137 ( 0.000 -5.442 0.000) 5.442 16.259 ( 0.000 -7.294 0.000) 7.294 16.339 ( 0.000 3.984 0.000) 3.984 16.407 ( 0.000 -5.728 0.000) 5.728 16.440 ( 0.000 -7.300 0.000) 7.300 16.642 ( 0.000 -5.652 0.000) 5.652======================= Grid point 31 (20/72) =======================q-point: ( 0.20 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 2.233 1.888 0.000) 2.925 2.468 ( 3.066 9.998 0.000) 10.457 2.553 ( 0.458 -0.515 0.000) 0.689 2.644 ( 0.336 8.617 0.000) 8.623 2.657 ( -1.694 7.014 0.000) 7.216 2.798 ( -3.765 0.437 0.000) 3.791 2.965 ( 0.321 -2.443 0.000) 2.464 3.003 ( 2.545 -2.875 0.000) 3.840 3.105 ( 1.972 4.682 0.000) 5.081 3.288 ( -3.894 5.147 0.000) 6.454 3.349 ( 0.861 9.095 0.000) 9.136 3.447 ( 2.416 -3.819 0.000) 4.519 3.531 ( 2.126 0.798 0.000) 2.271 3.623 ( -6.674 9.873 0.000) 11.918 3.806 ( -6.933 -0.959 0.000) 6.999 3.813 ( -8.293 -4.563 0.000) 9.465 3.918 ( 3.088 -1.798 0.000) 3.573 4.000 ( -0.783 -3.781 0.000) 3.861 4.166 ( 10.408 -6.094 0.000) 12.061 4.224 ( 7.295 -7.416 0.000) 10.403 4.532 ( -1.751 -0.020 0.000) 1.751 4.568 ( -2.211 2.481 0.000) 3.324 4.832 ( 5.479 -9.735 0.000) 11.171 4.895 ( -0.455 5.722 0.000) 5.740 4.961 ( -0.215 5.148 0.000) 5.152 5.042 ( 1.657 -1.371 0.000) 2.151 5.169 ( -5.777 11.833 0.000) 13.168 5.245 ( -6.262 9.980 0.000) 11.782 5.507 ( 0.780 8.060 0.000) 8.098 5.559 ( 3.719 6.412 0.000) 7.412 5.670 ( -2.443 20.297 0.000) 20.443 5.912 ( -4.754 10.933 0.000) 11.922 5.983 ( 5.452 8.872 0.000) 10.413 6.060 ( 4.523 7.013 0.000) 8.345 6.114 ( 2.255 14.028 0.000) 14.208 6.234 ( -0.879 3.731 0.000) 3.833 6.252 ( 1.620 9.894 0.000) 10.026 6.353 ( -1.852 14.447 0.000) 14.565 6.419 ( 0.044 10.299 0.000) 10.299 6.437 ( -1.333 -0.120 0.000) 1.339 7.989 ( 0.375 4.767 0.000) 4.782 7.992 ( -0.946 5.905 0.000) 5.980 8.187 ( 1.543 0.419 0.000) 1.599 8.277 ( 0.502 1.744 0.000) 1.814 8.607 ( 4.918 6.601 0.000) 8.231 8.739 ( 6.065 3.279 0.000) 6.895 8.953 ( 1.287 -1.234 0.000) 1.783 8.995 ( 4.606 -2.756 0.000) 5.368 9.575 ( -2.190 6.309 0.000) 6.678 9.695 ( 0.594 -1.117 0.000) 1.265 9.744 ( 3.684 -4.287 0.000) 5.653 9.859 ( 2.157 -4.454 0.000) 4.948 9.880 ( 4.374 -10.083 0.000) 10.991 10.039 ( -8.830 7.040 0.000) 11.293 10.433 ( 6.198 9.255 0.000) 11.139 10.516 ( -8.056 -16.790 0.000) 18.623 10.720 ( 4.779 10.901 0.000) 11.903 10.733 ( -12.499 -8.884 0.000) 15.334 11.198 ( -10.420 3.035 0.000) 10.853 11.300 ( 1.328 10.093 0.000) 10.180 11.361 ( -0.739 4.364 0.000) 4.426 11.533 ( 8.743 -7.492 0.000) 11.514 11.639 ( -12.402 -8.254 0.000) 14.898 11.672 ( 8.995 -5.155 0.000) 10.367 11.878 ( -1.197 -12.439 0.000) 12.496 11.975 ( -4.573 2.076 0.000) 5.023 12.045 ( 2.280 -15.974 0.000) 16.136 12.418 ( -5.849 -6.209 0.000) 8.531 12.555 ( 5.836 3.925 0.000) 7.033 12.720 ( 9.674 0.116 0.000) 9.675 12.797 ( 5.648 -2.917 0.000) 6.357 13.150 ( -7.841 5.781 0.000) 9.742 13.226 ( -4.300 7.037 0.000) 8.247 13.286 ( -8.169 1.333 0.000) 8.277 13.302 ( 3.920 -9.572 0.000) 10.344 13.618 ( -3.251 -3.863 0.000) 5.049 15.900 ( 4.449 1.637 0.000) 4.740 16.035 ( -1.206 -0.443 0.000) 1.285 16.122 ( -1.016 -5.275 0.000) 5.372 16.234 ( -2.399 -6.249 0.000) 6.693 16.363 ( 1.758 2.291 0.000) 2.888 16.383 ( -0.919 -4.318 0.000) 4.414 16.506 ( 4.544 -7.459 0.000) 8.734 16.642 ( -0.116 -5.612 0.000) 5.614======================= Grid point 32 (21/72) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( 1.288 7.850 0.000) 7.955 2.522 ( 1.519 2.695 0.000) 3.093 2.560 ( 2.271 3.448 0.000) 4.129 2.619 ( -2.074 5.578 0.000) 5.951 2.667 ( 1.674 4.970 0.000) 5.244 2.719 ( -3.761 0.389 0.000) 3.781 2.969 ( 1.288 0.712 0.000) 1.472 3.018 ( -2.145 -1.939 0.000) 2.892 3.182 ( 4.674 -1.924 0.000) 5.055 3.246 ( -0.987 0.609 0.000) 1.159 3.371 ( 2.961 8.219 0.000) 8.736 3.455 ( -2.287 -3.834 0.000) 4.464 3.537 ( -2.266 11.616 0.000) 11.835 3.546 ( -1.409 0.491 0.000) 1.492 3.682 ( -3.056 4.393 0.000) 5.352 3.686 ( -3.389 4.807 0.000) 5.882 3.967 ( 1.685 -4.240 0.000) 4.563 3.988 ( -0.603 -6.086 0.000) 6.116 4.350 ( 6.676 -8.555 0.000) 10.852 4.357 ( 5.272 -7.921 0.000) 9.515 4.495 ( -2.031 1.683 0.000) 2.638 4.506 ( -3.453 3.485 0.000) 4.906 4.898 ( 1.410 1.401 0.000) 1.987 4.922 ( 1.736 -8.640 0.000) 8.813 4.995 ( 3.492 9.419 0.000) 10.045 5.052 ( -0.644 -0.721 0.000) 0.967 5.056 ( -3.496 10.142 0.000) 10.728 5.101 ( -6.872 10.125 0.000) 12.237 5.551 ( 3.021 10.931 0.000) 11.341 5.613 ( -3.036 15.781 0.000) 16.070 5.659 ( 6.050 7.487 0.000) 9.626 5.791 ( -6.762 8.469 0.000) 10.837 6.094 ( 5.145 5.861 0.000) 7.799 6.156 ( 4.294 9.241 0.000) 10.190 6.158 ( 0.241 9.938 0.000) 9.941 6.208 ( -1.266 8.260 0.000) 8.357 6.263 ( -0.147 11.621 0.000) 11.622 6.299 ( -3.116 15.031 0.000) 15.350 6.418 ( -0.224 4.223 0.000) 4.229 6.420 ( -0.049 8.146 0.000) 8.147 7.982 ( 0.051 4.337 0.000) 4.337 7.989 ( -0.394 4.012 0.000) 4.031 8.226 ( 2.229 0.117 0.000) 2.232 8.267 ( -1.510 -0.523 0.000) 1.598 8.750 ( 8.543 9.986 0.000) 13.142 8.882 ( 1.814 4.655 0.000) 4.996 8.938 ( 1.748 4.283 0.000) 4.626 9.043 ( -1.882 0.382 0.000) 1.920 9.594 ( 4.472 1.861 0.000) 4.844 9.686 ( -2.167 -2.225 0.000) 3.106 9.843 ( 5.438 -5.852 0.000) 7.988 9.885 ( -3.880 -2.535 0.000) 4.634 9.906 ( 0.472 -5.622 0.000) 5.642 9.910 ( -2.349 -9.600 0.000) 9.883 10.397 ( -1.862 -14.069 0.000) 14.192 10.450 ( -6.155 -7.877 0.000) 9.996 10.639 ( 7.100 7.198 0.000) 10.110 10.799 ( -2.670 5.384 0.000) 6.010 11.032 ( 1.336 11.411 0.000) 11.489 11.256 ( -13.511 7.476 0.000) 15.441 11.340 ( 2.222 9.642 0.000) 9.895 11.394 ( -4.961 5.123 0.000) 7.132 11.712 ( 7.081 -13.486 0.000) 15.232 11.780 ( 0.506 -4.959 0.000) 4.984 11.902 ( 1.845 -14.805 0.000) 14.919 11.917 ( -1.430 -2.817 0.000) 3.159 12.101 ( 5.296 -14.805 0.000) 15.724 12.263 ( -8.980 -13.987 0.000) 16.622 12.715 ( 9.767 4.679 0.000) 10.830 12.903 ( 8.918 -1.508 0.000) 9.045 12.936 ( -11.888 5.089 0.000) 12.932 12.958 ( 9.168 5.363 0.000) 10.622 13.093 ( -9.515 1.600 0.000) 9.649 13.123 ( -7.171 5.389 0.000) 8.970 13.404 ( 5.899 -7.164 0.000) 9.280 13.524 ( -5.741 -4.975 0.000) 7.597 15.986 ( 3.106 -0.239 0.000) 3.115 16.017 ( -0.677 -0.912 0.000) 1.136 16.119 ( 1.269 -4.888 0.000) 5.050 16.172 ( -3.390 -5.218 0.000) 6.223 16.378 ( 0.333 -1.811 0.000) 1.841 16.385 ( 0.154 0.336 0.000) 0.369 16.589 ( 3.283 -6.915 0.000) 7.655 16.632 ( -1.087 -6.011 0.000) 6.108======================= Grid point 35 (22/72) =======================q-point: ( 0.00 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( 0.000 1.874 0.000) 1.874 2.518 ( 0.000 -1.414 0.000) 1.414 2.635 ( 0.000 9.905 0.000) 9.905 2.790 ( 0.000 3.934 0.000) 3.934 2.795 ( 0.000 6.253 0.000) 6.253 2.815 ( 0.000 -7.952 0.000) 7.952 2.842 ( 0.000 -1.349 0.000) 1.349 2.898 ( 0.000 -4.418 0.000) 4.418 3.263 ( 0.000 6.528 0.000) 6.528 3.356 ( 0.000 -3.277 0.000) 3.277 3.416 ( 0.000 3.592 0.000) 3.592 3.473 ( 0.000 -2.146 0.000) 2.146 3.564 ( 0.000 11.114 0.000) 11.114 3.765 ( 0.000 -9.196 0.000) 9.196 3.833 ( 0.000 1.919 0.000) 1.919 3.837 ( 0.000 -0.552 0.000) 0.552 3.868 ( 0.000 -0.819 0.000) 0.819 3.906 ( 0.000 -3.347 0.000) 3.347 3.982 ( 0.000 -1.485 0.000) 1.485 3.999 ( 0.000 -3.251 0.000) 3.251 4.556 ( 0.000 1.318 0.000) 1.318 4.620 ( 0.000 -5.323 0.000) 5.323 4.665 ( 0.000 5.787 0.000) 5.787 4.810 ( 0.000 -8.427 0.000) 8.427 5.073 ( 0.000 4.253 0.000) 4.253 5.089 ( 0.000 2.469 0.000) 2.469 5.387 ( 0.000 5.016 0.000) 5.016 5.425 ( 0.000 1.548 0.000) 1.548 5.587 ( 0.000 2.289 0.000) 2.289 5.602 ( 0.000 1.254 0.000) 1.254 6.029 ( 0.000 10.990 0.000) 10.990 6.075 ( 0.000 4.960 0.000) 4.960 6.098 ( 0.000 2.413 0.000) 2.413 6.120 ( 0.000 1.933 0.000) 1.933 6.244 ( 0.000 2.864 0.000) 2.864 6.253 ( 0.000 0.911 0.000) 0.911 6.389 ( 0.000 4.642 0.000) 4.642 6.430 ( 0.000 -0.731 0.000) 0.731 6.564 ( 0.000 5.365 0.000) 5.365 6.576 ( 0.000 4.048 0.000) 4.048 8.091 ( 0.000 4.969 0.000) 4.969 8.157 ( 0.000 7.585 0.000) 7.585 8.158 ( 0.000 -1.765 0.000) 1.765 8.274 ( 0.000 -3.444 0.000) 3.444 8.671 ( 0.000 7.768 0.000) 7.768 8.759 ( 0.000 4.030 0.000) 4.030 8.827 ( 0.000 -7.254 0.000) 7.254 8.841 ( 0.000 -4.364 0.000) 4.364 9.615 ( 0.000 -0.060 0.000) 0.060 9.671 ( 0.000 -5.525 0.000) 5.525 9.718 ( 0.000 2.324 0.000) 2.324 9.770 ( 0.000 -3.017 0.000) 3.017 9.892 ( 0.000 15.345 0.000) 15.345 10.236 ( 0.000 -19.175 0.000) 19.175 10.461 ( 0.000 18.518 0.000) 18.518 10.505 ( 0.000 9.999 0.000) 9.999 10.724 ( 0.000 -10.454 0.000) 10.454 10.898 ( 0.000 -23.944 0.000) 23.944 10.926 ( 0.000 13.389 0.000) 13.389 11.175 ( 0.000 -11.199 0.000) 11.199 11.489 ( 0.000 7.898 0.000) 7.898 11.524 ( 0.000 1.003 0.000) 1.003 11.581 ( 0.000 6.048 0.000) 6.048 11.665 ( 0.000 -3.111 0.000) 3.111 11.730 ( 0.000 -7.836 0.000) 7.836 11.760 ( 0.000 -7.285 0.000) 7.285 12.169 ( 0.000 6.103 0.000) 6.103 12.345 ( 0.000 -12.251 0.000) 12.251 12.524 ( 0.000 0.787 0.000) 0.787 12.528 ( 0.000 0.481 0.000) 0.481 12.844 ( 0.000 10.211 0.000) 10.211 13.050 ( 0.000 -10.630 0.000) 10.630 13.334 ( 0.000 2.635 0.000) 2.635 13.346 ( 0.000 2.827 0.000) 2.827 13.441 ( 0.000 3.880 0.000) 3.880 13.549 ( 0.000 -6.015 0.000) 6.015 15.925 ( 0.000 4.934 0.000) 4.934 16.030 ( 0.000 -5.505 0.000) 5.505 16.065 ( 0.000 1.820 0.000) 1.820 16.129 ( 0.000 -4.915 0.000) 4.915 16.337 ( 0.000 -1.501 0.000) 1.501 16.346 ( 0.000 -2.468 0.000) 2.468 16.444 ( 0.000 5.428 0.000) 5.428 16.544 ( 0.000 -4.780 0.000) 4.780======================= Grid point 36 (23/72) =======================q-point: ( 0.20 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( 1.874 1.749 0.000) 2.563 2.533 ( 1.404 -1.391 0.000) 1.976 2.651 ( 1.041 8.472 0.000) 8.536 2.762 ( -2.990 1.439 0.000) 3.318 2.784 ( -1.914 -0.031 0.000) 1.914 2.798 ( 0.283 6.975 0.000) 6.981 2.868 ( 1.869 -5.760 0.000) 6.056 2.919 ( 1.464 -5.318 0.000) 5.516 3.222 ( -2.403 6.233 0.000) 6.680 3.342 ( -1.479 -6.004 0.000) 6.184 3.382 ( -3.272 4.264 0.000) 5.375 3.440 ( -2.806 -0.742 0.000) 2.903 3.605 ( 3.003 6.637 0.000) 7.285 3.722 ( -1.887 -5.001 0.000) 5.345 3.812 ( -1.911 1.950 0.000) 2.731 3.829 ( 0.161 9.136 0.000) 9.137 3.866 ( 1.102 -2.185 0.000) 2.447 3.967 ( -0.940 1.632 0.000) 1.884 4.022 ( 7.182 -8.664 0.000) 11.253 4.068 ( 4.751 -7.659 0.000) 9.013 4.561 ( 0.675 3.251 0.000) 3.321 4.645 ( -1.812 5.951 0.000) 6.221 4.663 ( 3.495 -7.090 0.000) 7.905 4.792 ( -1.473 -8.420 0.000) 8.548 5.085 ( 1.243 4.109 0.000) 4.293 5.099 ( 0.963 2.465 0.000) 2.647 5.338 ( -5.073 5.300 0.000) 7.337 5.370 ( -5.707 2.354 0.000) 6.174 5.605 ( 2.307 2.442 0.000) 3.359 5.620 ( 3.477 0.791 0.000) 3.566 5.955 ( -5.920 8.744 0.000) 10.560 6.027 ( -6.988 1.008 0.000) 7.060 6.126 ( 4.230 5.066 0.000) 6.600 6.158 ( 4.940 1.970 0.000) 5.318 6.278 ( 1.347 3.833 0.000) 4.063 6.306 ( 2.998 2.119 0.000) 3.672 6.406 ( 1.451 4.606 0.000) 4.829 6.442 ( 1.723 0.427 0.000) 1.775 6.552 ( -1.272 5.518 0.000) 5.663 6.567 ( -0.805 3.883 0.000) 3.966 8.090 ( -0.160 4.933 0.000) 4.936 8.125 ( -2.343 7.187 0.000) 7.559 8.166 ( 0.729 -2.580 0.000) 2.681 8.249 ( -2.068 -4.571 0.000) 5.017 8.766 ( 8.366 8.787 0.000) 12.132 8.826 ( 6.530 5.104 0.000) 8.288 8.913 ( 6.291 -3.217 0.000) 7.066 8.916 ( 7.640 -5.832 0.000) 9.612 9.625 ( 0.467 0.565 0.000) 0.733 9.696 ( -2.324 1.913 0.000) 3.010 9.703 ( 2.132 -7.216 0.000) 7.525 9.767 ( -0.470 -4.691 0.000) 4.715 9.845 ( -2.966 13.439 0.000) 13.762 10.161 ( -5.946 -17.878 0.000) 18.841 10.227 ( -13.385 12.073 0.000) 18.025 10.482 ( -14.102 -12.095 0.000) 18.578 10.706 ( 8.748 14.722 0.000) 17.125 10.967 ( 3.219 13.269 0.000) 13.654 11.072 ( 9.697 -21.287 0.000) 23.391 11.188 ( 0.427 -6.467 0.000) 6.481 11.464 ( -1.364 5.685 0.000) 5.846 11.562 ( -2.606 6.101 0.000) 6.635 11.581 ( 4.329 -3.579 0.000) 5.617 11.634 ( -2.440 -0.393 0.000) 2.472 11.685 ( -1.768 -2.761 0.000) 3.278 11.801 ( 2.275 -9.634 0.000) 9.899 12.030 ( -9.120 4.682 0.000) 10.252 12.198 ( -10.535 -12.040 0.000) 15.998 12.625 ( 8.514 3.546 0.000) 9.223 12.683 ( 9.193 -2.243 0.000) 9.463 12.920 ( 7.105 9.262 0.000) 11.673 13.109 ( 5.584 -9.852 0.000) 11.324 13.235 ( -8.392 3.411 0.000) 9.058 13.282 ( -7.804 -1.061 0.000) 7.876 13.379 ( -4.623 7.184 0.000) 8.543 13.514 ( -3.702 -6.377 0.000) 7.374 15.952 ( 2.255 3.400 0.000) 4.080 16.028 ( -0.030 -4.300 0.000) 4.300 16.047 ( -1.404 1.875 0.000) 2.342 16.113 ( -1.578 -4.873 0.000) 5.122 16.349 ( 1.667 0.520 0.000) 1.746 16.395 ( 3.848 -4.005 0.000) 5.554 16.450 ( 0.251 4.993 0.000) 4.999 16.545 ( -0.127 -4.678 0.000) 4.679======================= Grid point 37 (24/72) =======================q-point: ( 0.40 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( 3.723 1.423 0.000) 3.986 2.579 ( 3.626 -0.363 0.000) 3.644 2.633 ( -3.059 3.726 0.000) 4.821 2.675 ( -5.191 -0.499 0.000) 5.215 2.776 ( 1.215 6.168 0.000) 6.286 2.798 ( -0.519 7.228 0.000) 7.247 2.907 ( 1.875 -6.120 0.000) 6.401 2.933 ( -0.379 -6.137 0.000) 6.149 3.214 ( 2.022 4.651 0.000) 5.072 3.292 ( -5.019 3.855 0.000) 6.329 3.329 ( 0.927 -6.628 0.000) 6.693 3.378 ( -3.277 -4.215 0.000) 5.339 3.651 ( 2.902 7.351 0.000) 7.903 3.736 ( -4.743 6.638 0.000) 8.158 3.762 ( 4.508 -1.526 0.000) 4.759 3.835 ( -1.859 1.815 0.000) 2.598 3.897 ( 2.397 5.588 0.000) 6.080 3.941 ( -1.710 5.762 0.000) 6.010 4.136 ( 3.405 -12.496 0.000) 12.952 4.146 ( 2.234 -11.929 0.000) 12.136 4.580 ( 1.108 6.142 0.000) 6.241 4.607 ( -1.683 6.803 0.000) 7.008 4.731 ( 2.697 -9.091 0.000) 9.483 4.766 ( -1.148 -9.019 0.000) 9.092 5.128 ( 3.040 3.831 0.000) 4.891 5.134 ( 3.113 3.234 0.000) 4.489 5.216 ( -5.909 4.822 0.000) 7.626 5.234 ( -6.565 3.060 0.000) 7.243 5.695 ( 5.988 4.144 0.000) 7.282 5.729 ( 6.815 0.499 0.000) 6.833 5.825 ( -6.705 6.226 0.000) 9.150 5.877 ( -7.657 0.666 0.000) 7.686 6.212 ( 3.887 5.119 0.000) 6.427 6.257 ( 4.348 1.072 0.000) 4.478 6.271 ( -1.804 4.696 0.000) 5.031 6.320 ( -1.674 0.546 0.000) 1.761 6.452 ( 3.131 6.619 0.000) 7.322 6.496 ( 2.895 1.980 0.000) 3.507 6.512 ( -2.615 6.304 0.000) 6.825 6.543 ( -1.698 3.038 0.000) 3.481 8.085 ( -0.243 5.377 0.000) 5.383 8.090 ( -0.956 6.314 0.000) 6.386 8.184 ( 1.003 -4.177 0.000) 4.295 8.209 ( -1.630 -5.155 0.000) 5.406 8.948 ( 8.102 9.022 0.000) 12.126 8.986 ( 7.169 5.438 0.000) 8.998 9.027 ( 3.096 2.366 0.000) 3.897 9.053 ( 3.489 -1.109 0.000) 3.661 9.618 ( 0.058 0.478 0.000) 0.481 9.641 ( -2.119 -0.217 0.000) 2.130 9.703 ( -1.780 -8.222 0.000) 8.412 9.728 ( -3.734 -8.186 0.000) 8.998 9.855 ( 3.944 7.232 0.000) 8.238 9.985 ( -9.467 9.321 0.000) 13.286 10.093 ( 1.252 -15.157 0.000) 15.208 10.219 ( -10.607 -13.338 0.000) 17.041 10.875 ( 7.690 15.451 0.000) 17.259 10.991 ( -2.641 12.830 0.000) 13.099 11.198 ( 1.890 -1.287 0.000) 2.286 11.212 ( 3.189 -17.167 0.000) 17.461 11.442 ( -0.824 3.986 0.000) 4.071 11.468 ( -4.605 10.256 0.000) 11.242 11.607 ( -0.231 -1.084 0.000) 1.108 11.615 ( -0.731 -7.745 0.000) 7.779 11.747 ( 7.160 -1.174 0.000) 7.256 11.855 ( 3.823 -9.276 0.000) 10.033 11.881 ( -6.085 -0.205 0.000) 6.088 11.990 ( -9.465 -11.299 0.000) 14.739 12.808 ( 9.968 4.214 0.000) 10.822 12.871 ( 9.816 -2.212 0.000) 10.062 13.027 ( -11.475 3.824 0.000) 12.096 13.081 ( -10.916 -1.681 0.000) 11.044 13.094 ( 9.223 7.731 0.000) 12.034 13.251 ( 7.941 -8.121 0.000) 11.358 13.262 ( -7.227 7.359 0.000) 10.314 13.405 ( -6.928 -6.931 0.000) 9.800 15.995 ( 1.653 1.199 0.000) 2.042 16.020 ( -1.196 1.369 0.000) 1.818 16.037 ( 1.179 -3.196 0.000) 3.406 16.073 ( -2.144 -4.064 0.000) 4.594 16.397 ( 2.709 2.948 0.000) 4.003 16.441 ( -1.371 4.170 0.000) 4.390 16.475 ( 3.666 -4.872 0.000) 6.097 16.529 ( -1.626 -4.743 0.000) 5.014======================= Grid point 75 (25/72) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( 0.000 0.000 27.494) 27.494 0.630 ( 0.000 0.000 28.742) 28.742 1.106 ( 0.000 0.000 49.148) 49.148 1.612 ( 0.000 0.000 -14.472) 14.472 1.626 ( 0.000 0.000 -15.666) 15.666 1.990 ( 0.000 0.000 15.482) 15.482 2.080 ( 0.000 0.000 -0.020) 0.020 2.247 ( 0.000 0.000 -3.596) 3.596 2.412 ( 0.000 0.000 12.692) 12.692 2.419 ( 0.000 0.000 2.242) 2.242 2.458 ( 0.000 0.000 8.893) 8.893 2.508 ( 0.000 0.000 -1.782) 1.782 2.605 ( 0.000 0.000 -2.795) 2.795 2.653 ( 0.000 0.000 0.077) 0.077 2.697 ( 0.000 0.000 -0.323) 0.323 2.728 ( 0.000 0.000 -5.760) 5.760 2.812 ( 0.000 0.000 -6.231) 6.231 2.821 ( 0.000 0.000 -15.782) 15.782 3.020 ( 0.000 0.000 -14.758) 14.758 3.063 ( 0.000 0.000 5.359) 5.359 3.228 ( 0.000 0.000 -2.122) 2.122 3.244 ( 0.000 0.000 -22.924) 22.924 3.641 ( 0.000 0.000 5.690) 5.690 3.727 ( 0.000 0.000 2.300) 2.300 4.085 ( 0.000 0.000 -9.022) 9.022 4.153 ( 0.000 0.000 18.140) 18.140 4.449 ( 0.000 0.000 -4.371) 4.371 4.652 ( 0.000 0.000 4.044) 4.044 4.687 ( 0.000 0.000 -2.336) 2.336 4.990 ( 0.000 0.000 9.452) 9.452 5.200 ( 0.000 0.000 -11.395) 11.395 5.298 ( 0.000 0.000 5.451) 5.451 5.527 ( 0.000 0.000 5.054) 5.054 5.644 ( 0.000 0.000 -0.001) 0.001 5.754 ( 0.000 0.000 2.619) 2.619 5.792 ( 0.000 0.000 -6.323) 6.323 5.884 ( 0.000 0.000 -1.345) 1.345 6.063 ( 0.000 0.000 -2.996) 2.996 6.744 ( 0.000 0.000 10.368) 10.368 6.995 ( 0.000 0.000 -0.089) 0.089 7.645 ( 0.000 0.000 5.381) 5.381 7.879 ( 0.000 0.000 1.770) 1.770 8.107 ( 0.000 0.000 -6.876) 6.876 8.141 ( 0.000 0.000 4.855) 4.855 8.290 ( 0.000 0.000 -7.501) 7.501 8.440 ( 0.000 0.000 -2.250) 2.250 8.483 ( 0.000 0.000 0.674) 0.674 8.535 ( 0.000 0.000 -5.444) 5.444 8.669 ( 0.000 0.000 6.763) 6.763 8.854 ( 0.000 0.000 -1.584) 1.584 9.259 ( 0.000 0.000 3.502) 3.502 9.381 ( 0.000 0.000 -1.404) 1.404 9.462 ( 0.000 0.000 7.927) 7.927 9.835 ( 0.000 0.000 -7.271) 7.271 10.304 ( 0.000 0.000 1.073) 1.073 10.305 ( 0.000 0.000 1.389) 1.389 10.364 ( 0.000 0.000 -1.120) 1.120 10.714 ( 0.000 0.000 13.592) 13.592 10.807 ( 0.000 0.000 -13.436) 13.436 11.049 ( 0.000 0.000 0.732) 0.732 11.092 ( 0.000 0.000 -0.860) 0.860 11.138 ( 0.000 0.000 -5.964) 5.964 11.348 ( 0.000 0.000 -0.634) 0.634 11.359 ( 0.000 0.000 -0.438) 0.438 12.397 ( 0.000 0.000 10.446) 10.446 12.766 ( 0.000 0.000 -3.876) 3.876 12.804 ( 0.000 0.000 0.518) 0.518 12.820 ( 0.000 0.000 0.225) 0.225 12.836 ( 0.000 0.000 -0.346) 0.346 12.846 ( 0.000 0.000 -0.384) 0.384 12.862 ( 0.000 0.000 1.726) 1.726 13.053 ( 0.000 0.000 -5.560) 5.560 13.830 ( 0.000 0.000 3.362) 3.362 13.931 ( 0.000 0.000 -0.144) 0.144 14.080 ( 0.000 0.000 1.886) 1.886 14.231 ( 0.000 0.000 -3.372) 3.372 15.764 ( 0.000 0.000 1.575) 1.575 15.840 ( 0.000 0.000 -1.100) 1.100 16.365 ( 0.000 0.000 -0.996) 0.996 16.386 ( 0.000 0.000 -2.288) 2.288 17.646 ( 0.000 0.000 5.452) 5.452 17.907 ( 0.000 0.000 -4.664) 4.664 18.275 ( 0.000 0.000 3.019) 3.019 18.404 ( 0.000 0.000 -1.721) 1.721======================= Grid point 76 (26/72) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 17.147 0.000 20.932) 27.059 0.878 ( 21.139 0.000 19.597) 28.826 1.355 ( 23.899 0.000 37.197) 44.213 1.660 ( 4.228 0.000 -11.677) 12.419 1.729 ( 8.326 0.000 -15.471) 17.569 1.958 ( -11.089 0.000 0.470) 11.099 1.988 ( -6.306 0.000 11.786) 13.367 2.167 ( -6.820 0.000 -4.017) 7.915 2.400 ( -0.374 0.000 5.222) 5.236 2.445 ( -0.812 0.000 9.196) 9.232 2.468 ( 2.935 0.000 0.395) 2.961 2.565 ( 0.670 0.000 -0.638) 0.925 2.579 ( 1.447 0.000 -0.966) 1.740 2.607 ( -4.529 0.000 -1.285) 4.707 2.721 ( 4.698 0.000 2.374) 5.264 2.758 ( 0.831 0.000 -7.177) 7.225 2.861 ( 4.036 0.000 -9.673) 10.481 2.871 ( 3.556 0.000 -3.577) 5.043 3.037 ( 4.129 0.000 -14.116) 14.707 3.059 ( -0.022 0.000 4.346) 4.346 3.208 ( -1.950 0.000 -2.024) 2.811 3.257 ( 0.908 0.000 -15.982) 16.008 3.525 ( -4.852 0.000 8.235) 9.559 3.782 ( 1.419 0.000 -2.909) 3.237 4.006 ( -8.221 0.000 12.212) 14.721 4.103 ( -7.655 0.000 -10.101) 12.674 4.386 ( -0.589 0.000 -13.098) 13.111 4.639 ( -8.647 0.000 -9.278) 12.683 4.889 ( 6.476 0.000 -0.616) 6.505 4.944 ( 1.238 0.000 12.727) 12.788 5.028 ( -4.019 0.000 3.143) 5.102 5.315 ( -0.877 0.000 -3.141) 3.261 5.485 ( -6.694 0.000 4.949) 8.325 5.537 ( -3.886 0.000 5.663) 6.869 5.856 ( 5.060 0.000 1.979) 5.433 5.901 ( 9.925 0.000 -3.423) 10.499 5.924 ( 4.283 0.000 -1.936) 4.701 6.185 ( 8.549 0.000 -6.245) 10.587 6.678 ( -6.813 0.000 10.573) 12.578 6.962 ( -2.996 0.000 -2.039) 3.624 7.654 ( 0.911 0.000 5.189) 5.268 7.836 ( -3.767 0.000 2.483) 4.511 8.112 ( 0.609 0.000 -7.128) 7.154 8.245 ( -3.470 0.000 -6.826) 7.657 8.264 ( 4.966 0.000 2.071) 5.381 8.345 ( -1.194 0.000 2.190) 2.494 8.458 ( -1.503 0.000 0.907) 1.755 8.597 ( 2.671 0.000 -4.333) 5.090 8.753 ( 7.275 0.000 5.751) 9.273 8.924 ( 6.346 0.000 -1.563) 6.536 9.216 ( -4.245 0.000 3.658) 5.604 9.344 ( -3.675 0.000 -1.491) 3.966 9.645 ( 17.475 0.000 4.717) 18.100 9.906 ( 5.707 0.000 -4.604) 7.332 10.283 ( -1.768 0.000 0.593) 1.865 10.308 ( 0.395 0.000 0.859) 0.946 10.356 ( -0.713 0.000 -0.904) 1.151 10.503 ( -10.396 0.000 0.639) 10.415 11.031 ( 7.516 0.000 2.906) 8.059 11.055 ( 0.560 0.000 0.566) 0.796 11.090 ( -0.237 0.000 -0.719) 0.757 11.217 ( 8.528 0.000 -5.876) 10.356 11.371 ( 6.251 0.000 -1.923) 6.540 11.435 ( -0.545 0.000 -7.277) 7.297 12.302 ( -10.708 0.000 10.339) 14.884 12.581 ( -26.997 0.000 7.621) 28.052 12.768 ( -1.460 0.000 -1.282) 1.943 12.805 ( 0.141 0.000 0.501) 0.521 12.819 ( -0.166 0.000 0.276) 0.322 12.827 ( -3.242 0.000 -0.849) 3.351 12.837 ( 0.081 0.000 -0.373) 0.381 12.845 ( -0.100 0.000 -0.391) 0.404 13.805 ( -1.770 0.000 2.368) 2.956 13.867 ( -4.000 0.000 2.181) 4.556 14.101 ( 2.252 0.000 1.496) 2.704 14.226 ( -0.790 0.000 -2.527) 2.647 15.870 ( 7.630 0.000 0.608) 7.654 16.007 ( 9.411 0.000 -7.274) 11.895 16.378 ( 2.468 0.000 -0.862) 2.614 16.470 ( 4.201 0.000 -3.552) 5.502 17.653 ( 0.870 0.000 4.246) 4.334 17.895 ( -2.187 0.000 -4.023) 4.579 18.128 ( -13.447 0.000 10.156) 16.851 18.211 ( -6.529 0.000 2.285) 6.918======================= Grid point 77 (27/72) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( 20.388 0.000 12.540) 23.936 1.299 ( 20.422 0.000 17.698) 27.023 1.602 ( -15.875 0.000 7.183) 17.424 1.682 ( -16.632 0.000 14.310) 21.941 1.844 ( 5.916 0.000 -10.988) 12.479 1.943 ( 27.727 0.000 12.138) 30.267 1.974 ( 12.124 0.000 -7.733) 14.380 2.006 ( -8.709 0.000 -6.972) 11.156 2.269 ( -10.098 0.000 -6.816) 12.184 2.432 ( 3.025 0.000 2.557) 3.961 2.506 ( -3.465 0.000 -0.526) 3.505 2.531 ( 1.586 0.000 -0.036) 1.586 2.545 ( -17.797 0.000 1.632) 17.872 2.572 ( -1.569 0.000 -1.361) 2.077 2.823 ( 11.426 0.000 10.885) 15.782 2.830 ( 4.980 0.000 2.825) 5.725 2.898 ( -1.351 0.000 0.934) 1.643 2.938 ( 1.790 0.000 1.356) 2.246 3.085 ( 2.831 0.000 0.406) 2.860 3.115 ( 2.286 0.000 -4.881) 5.390 3.153 ( -3.375 0.000 -1.574) 3.724 3.205 ( -6.165 0.000 -3.472) 7.075 3.540 ( 7.244 0.000 -1.048) 7.320 3.768 ( -9.651 0.000 -6.564) 11.672 3.889 ( 4.523 0.000 -9.173) 10.227 4.051 ( 4.871 0.000 -8.118) 9.467 4.249 ( -11.145 0.000 -12.108) 16.456 4.381 ( -13.766 0.000 -11.890) 18.190 4.896 ( 5.681 0.000 5.371) 7.818 5.033 ( -2.096 0.000 -3.368) 3.967 5.080 ( 4.015 0.000 6.852) 7.942 5.176 ( -7.246 0.000 2.415) 7.638 5.470 ( 2.000 0.000 5.232) 5.601 5.498 ( -0.905 0.000 6.735) 6.796 5.943 ( 2.902 0.000 0.352) 2.923 5.962 ( 1.049 0.000 -0.365) 1.110 6.126 ( 9.923 0.000 0.730) 9.949 6.274 ( -2.668 0.000 -1.221) 2.934 6.629 ( 5.551 0.000 6.183) 8.309 6.823 ( -10.377 0.000 -1.481) 10.482 7.686 ( 2.446 0.000 4.597) 5.207 7.753 ( -4.051 0.000 3.643) 5.448 8.134 ( 1.610 0.000 -7.114) 7.294 8.179 ( -2.878 0.000 -6.775) 7.360 8.278 ( 2.410 0.000 -0.890) 2.569 8.360 ( -4.022 0.000 -3.135) 5.099 8.506 ( 6.438 0.000 4.878) 8.077 8.602 ( -2.412 0.000 0.901) 2.575 8.922 ( 8.873 0.000 4.880) 10.127 9.065 ( 2.609 0.000 1.057) 2.815 9.108 ( -1.865 0.000 1.487) 2.385 9.238 ( -6.756 0.000 -1.671) 6.960 10.038 ( 15.730 0.000 -1.641) 15.815 10.055 ( 9.593 0.000 -1.081) 9.654 10.229 ( -3.538 0.000 0.345) 3.555 10.320 ( 0.776 0.000 0.315) 0.838 10.329 ( -7.804 0.000 -1.583) 7.963 10.338 ( -0.969 0.000 -0.351) 1.031 11.063 ( 1.930 0.000 6.866) 7.132 11.069 ( 0.737 0.000 0.148) 0.751 11.082 ( -0.540 0.000 -0.340) 0.638 11.240 ( -13.601 0.000 3.030) 13.934 11.495 ( 13.946 0.000 -3.875) 14.474 11.566 ( 8.977 0.000 -3.807) 9.751 12.045 ( -10.390 0.000 5.458) 11.736 12.117 ( -17.936 0.000 4.504) 18.493 12.777 ( 1.731 0.000 -2.928) 3.401 12.804 ( -0.678 0.000 -2.935) 3.012 12.809 ( 0.245 0.000 0.450) 0.512 12.814 ( -0.262 0.000 0.370) 0.453 12.839 ( 0.146 0.000 -0.403) 0.429 12.842 ( -0.156 0.000 -0.404) 0.433 13.780 ( -0.323 0.000 1.480) 1.514 13.800 ( -2.340 0.000 1.545) 2.804 14.153 ( 2.615 0.000 0.505) 2.663 14.199 ( -1.872 0.000 -0.959) 2.104 16.031 ( 7.130 0.000 0.914) 7.188 16.106 ( 0.420 0.000 -2.016) 2.060 16.440 ( 3.309 0.000 -1.316) 3.561 16.494 ( -1.453 0.000 -1.925) 2.412 17.693 ( 3.376 0.000 1.774) 3.814 17.791 ( -6.252 0.000 0.903) 6.317 18.023 ( 0.595 0.000 2.180) 2.260 18.085 ( -5.195 0.000 0.571) 5.226======================= Grid point 80 (28/72) =======================q-point: ( 0.00 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( 0.000 17.630 19.654) 26.402 0.876 ( 0.000 19.746 21.358) 29.088 1.543 ( 0.000 35.248 22.242) 41.679 1.697 ( 0.000 10.261 -4.300) 11.126 1.778 ( 0.000 12.857 -14.231) 19.179 2.058 ( 0.000 8.739 11.033) 14.075 2.254 ( 0.000 16.357 0.874) 16.380 2.385 ( 0.000 3.969 7.253) 8.268 2.463 ( 0.000 14.043 -0.081) 14.043 2.512 ( 0.000 5.710 -0.569) 5.738 2.587 ( 0.000 11.522 7.813) 13.921 2.628 ( 0.000 5.552 -2.449) 6.068 2.694 ( 0.000 5.680 -7.704) 9.571 2.708 ( 0.000 11.814 1.973) 11.978 2.778 ( 0.000 6.813 -3.348) 7.591 2.857 ( 0.000 15.560 -2.292) 15.728 2.857 ( 0.000 15.386 -1.231) 15.436 3.001 ( 0.000 4.475 -10.266) 11.199 3.073 ( 0.000 13.370 -9.921) 16.649 3.249 ( 0.000 15.835 3.263) 16.168 3.293 ( 0.000 5.523 -18.121) 18.944 3.411 ( 0.000 17.559 -2.396) 17.722 3.639 ( 0.000 1.674 6.168) 6.391 3.752 ( 0.000 3.081 -1.257) 3.328 4.091 ( 0.000 0.746 -9.520) 9.549 4.135 ( 0.000 -0.965 20.269) 20.292 4.426 ( 0.000 -0.938 -7.742) 7.799 4.657 ( 0.000 0.438 2.622) 2.659 4.666 ( 0.000 -1.502 1.099) 1.861 4.975 ( 0.000 -1.462 10.158) 10.262 5.170 ( 0.000 -7.116 10.527) 12.706 5.173 ( 0.000 -2.662 -11.395) 11.702 5.507 ( 0.000 -1.947 4.993) 5.359 5.637 ( 0.000 -0.486 -0.618) 0.786 5.727 ( 0.000 -2.495 2.994) 3.897 5.793 ( 0.000 0.261 -6.133) 6.139 5.877 ( 0.000 -0.552 -1.219) 1.338 6.016 ( 0.000 -4.082 -1.945) 4.521 6.665 ( 0.000 -6.530 7.059) 9.616 6.880 ( 0.000 -9.365 -1.905) 9.557 7.989 ( 0.000 16.875 -10.232) 19.735 8.016 ( 0.000 8.304 -2.073) 8.559 8.102 ( 0.000 -2.973 3.972) 4.961 8.234 ( 0.000 13.555 0.324) 13.559 8.341 ( 0.000 -0.748 -5.843) 5.891 8.432 ( 0.000 1.407 0.143) 1.415 8.457 ( 0.000 -0.635 0.540) 0.833 8.536 ( 0.000 3.687 -6.850) 7.779 8.883 ( 0.000 18.835 4.882) 19.458 9.039 ( 0.000 16.817 -1.587) 16.891 9.391 ( 0.000 12.673 3.083) 13.043 9.450 ( 0.000 -0.337 9.439) 9.445 9.502 ( 0.000 10.923 -1.120) 10.980 9.864 ( 0.000 2.108 -6.153) 6.504 10.172 ( 0.000 -5.588 0.801) 5.645 10.363 ( 0.000 -0.452 -3.400) 3.430 10.429 ( 0.000 4.939 3.853) 6.264 10.721 ( 0.000 2.042 9.392) 9.611 10.772 ( 0.000 -5.546 -6.430) 8.491 10.947 ( 0.000 -4.840 -2.027) 5.247 11.080 ( 0.000 -0.824 -1.807) 1.986 11.156 ( 0.000 0.340 -7.483) 7.491 11.451 ( 0.000 8.628 0.387) 8.636 11.612 ( 0.000 14.194 -12.667) 19.024 12.404 ( 0.000 0.317 10.066) 10.071 12.531 ( 0.000 -18.851 2.855) 19.066 12.565 ( 0.000 -18.346 -1.464) 18.404 12.693 ( 0.000 -6.591 2.408) 7.017 12.808 ( 0.000 -0.557 1.044) 1.183 12.888 ( 0.000 2.929 -6.946) 7.539 12.968 ( 0.000 6.499 3.613) 7.436 13.141 ( 0.000 5.822 -2.553) 6.357 13.852 ( 0.000 1.492 1.716) 2.274 13.888 ( 0.000 -5.232 1.072) 5.341 14.025 ( 0.000 -5.314 0.857) 5.383 14.149 ( 0.000 -8.192 -3.308) 8.835 15.908 ( 0.000 5.491 -0.286) 5.499 15.974 ( 0.000 10.486 -7.509) 12.897 16.354 ( 0.000 -3.033 -1.425) 3.351 16.399 ( 0.000 3.013 -5.215) 6.023 17.574 ( 0.000 -7.196 4.938) 8.727 17.805 ( 0.000 -10.301 -3.576) 10.904 18.096 ( 0.000 -21.408 11.758) 24.425 18.149 ( 0.000 -12.275 2.214) 12.473======================= Grid point 81 (29/72) =======================q-point: ( 0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( 16.356 12.689 17.046) 26.816 1.049 ( 14.302 15.057 18.634) 27.902 1.695 ( 11.936 18.674 0.858) 22.180 1.793 ( 8.916 19.294 9.220) 23.168 1.870 ( 8.244 15.202 -11.203) 20.606 2.023 ( -5.192 7.244 8.201) 12.112 2.129 ( -11.402 15.105 1.814) 19.012 2.350 ( -6.030 14.279 -2.318) 15.673 2.465 ( -1.302 6.120 2.256) 6.652 2.507 ( 5.203 2.683 7.241) 9.311 2.548 ( -1.490 10.954 0.944) 11.095 2.663 ( -1.043 9.769 -4.574) 10.838 2.693 ( -1.016 6.144 0.138) 6.229 2.746 ( 2.269 11.763 -0.813) 12.008 2.780 ( -0.303 12.751 0.066) 12.755 2.853 ( 5.911 9.714 -0.620) 11.388 2.946 ( 4.583 13.940 -1.936) 14.801 3.035 ( 2.450 8.018 -8.682) 12.070 3.088 ( 2.517 10.651 -8.479) 13.844 3.246 ( 0.293 13.942 1.238) 14.000 3.317 ( 1.240 8.557 -11.431) 14.333 3.391 ( -1.831 17.257 -2.321) 17.508 3.539 ( -4.851 2.417 7.135) 8.960 3.814 ( 1.640 3.926 -4.327) 6.068 3.996 ( -7.937 -0.507 10.516) 13.185 4.082 ( -6.283 -1.564 -6.738) 9.345 4.361 ( -2.565 -1.222 -12.293) 12.617 4.607 ( -7.493 -2.428 -9.335) 12.215 4.847 ( 9.574 -2.887 3.970) 10.759 4.926 ( -2.583 -0.704 14.559) 14.803 5.005 ( -3.027 -2.274 2.358) 4.460 5.265 ( -0.619 -4.244 -3.447) 5.502 5.465 ( -6.269 -1.920 4.334) 7.859 5.506 ( -4.383 -2.789 5.235) 7.375 5.814 ( 5.067 -4.397 1.434) 6.860 5.877 ( 8.865 -0.317 -1.924) 9.077 5.915 ( 2.987 -0.675 -1.042) 3.235 6.148 ( 9.152 -3.037 -5.984) 11.348 6.577 ( -6.415 -7.210 9.680) 13.669 6.874 ( -2.310 -7.912 -3.259) 8.863 7.967 ( 0.233 17.380 -5.819) 18.330 8.009 ( -0.818 11.365 -2.061) 11.579 8.192 ( 1.907 -0.383 0.949) 2.164 8.211 ( -2.058 9.113 -2.376) 9.640 8.314 ( -1.253 -1.275 -0.822) 1.967 8.383 ( 0.503 5.669 -1.485) 5.882 8.445 ( 0.496 0.567 1.646) 1.810 8.620 ( 2.847 3.360 -4.522) 6.312 8.924 ( 4.603 16.822 5.352) 18.243 9.080 ( 4.179 14.725 -1.346) 15.366 9.343 ( -4.129 11.917 3.271) 13.030 9.452 ( -4.559 10.091 -0.728) 11.097 9.637 ( 16.759 -0.213 5.978) 17.795 9.909 ( 4.852 0.795 -4.119) 6.414 10.189 ( 1.333 -4.135 0.618) 4.388 10.347 ( -1.551 -1.032 -1.947) 2.694 10.409 ( -1.812 4.824 1.505) 5.368 10.523 ( -8.628 1.751 0.396) 8.813 10.930 ( 3.167 -7.650 2.168) 8.559 10.986 ( 1.109 -2.696 -0.258) 2.927 11.093 ( 4.672 -0.321 2.065) 5.118 11.262 ( 9.558 0.996 -7.332) 12.087 11.436 ( 1.071 5.807 -0.382) 5.917 11.564 ( -7.310 8.511 -10.463) 15.341 12.293 ( -12.061 -2.051 10.838) 16.344 12.428 ( -9.504 -11.505 4.595) 15.615 12.543 ( -3.144 -16.782 -2.489) 17.254 12.664 ( -6.523 -3.540 -1.008) 7.490 12.755 ( -1.842 -5.814 0.804) 6.152 12.842 ( -2.915 0.760 -2.653) 4.014 12.976 ( 0.368 8.021 1.183) 8.116 13.022 ( -1.528 10.250 0.362) 10.369 13.804 ( -2.664 -1.320 1.285) 3.239 13.857 ( -3.164 -2.445 1.192) 4.173 14.066 ( 3.158 -3.853 1.017) 5.085 14.170 ( 0.948 -6.069 -2.445) 6.611 15.942 ( 4.619 5.370 0.436) 7.096 16.061 ( 5.103 3.583 -5.937) 8.610 16.366 ( 2.348 -1.621 -0.771) 2.956 16.471 ( 3.517 0.254 -4.583) 5.783 17.578 ( 0.579 -7.485 3.889) 8.455 17.786 ( -2.689 -10.767 -2.040) 11.284 17.981 ( -6.448 -12.668 9.295) 16.984 18.090 ( -5.227 -11.612 1.436) 12.815======================= Grid point 82 (30/72) =======================q-point: ( 0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( 19.752 11.006 12.884) 26.024 1.386 ( 19.148 8.638 13.856) 25.164 1.690 ( -13.108 5.734 8.865) 16.832 1.785 ( -18.232 10.946 8.527) 22.911 2.006 ( 8.447 10.105 -10.262) 16.697 2.051 ( 10.303 13.208 -12.364) 20.820 2.151 ( 4.657 17.044 1.758) 17.756 2.225 ( 2.664 20.777 0.041) 20.947 2.320 ( -7.178 6.322 -5.744) 11.157 2.521 ( -3.177 9.402 0.728) 9.951 2.611 ( -2.998 10.773 3.127) 11.612 2.657 ( -1.173 9.891 3.051) 10.417 2.689 ( 1.095 14.698 -0.073) 14.739 2.729 ( -1.094 14.212 -0.347) 14.258 2.846 ( 8.600 3.310 9.990) 13.591 2.973 ( 3.914 9.041 4.523) 10.841 3.015 ( -0.280 13.745 0.683) 13.765 3.052 ( 0.403 14.353 0.481) 14.367 3.132 ( 1.056 4.665 -1.744) 5.092 3.223 ( -4.674 7.632 -1.132) 9.021 3.311 ( 0.455 16.270 -1.274) 16.326 3.347 ( -2.390 16.166 -1.325) 16.395 3.551 ( 6.908 1.924 -0.878) 7.225 3.760 ( -8.972 -0.160 -4.399) 9.994 3.900 ( 3.064 1.411 -8.096) 8.770 4.058 ( 4.085 1.195 -9.752) 10.640 4.220 ( -8.575 -2.255 -11.273) 14.342 4.378 ( -13.146 -0.006 -12.774) 18.330 4.889 ( 5.010 -0.658 5.405) 7.399 5.012 ( -1.980 -2.075 -2.918) 4.092 5.036 ( 5.254 -3.209 8.103) 10.176 5.131 ( -7.317 -3.853 1.879) 8.481 5.428 ( 1.223 -3.941 6.186) 7.436 5.459 ( -1.665 -3.573 8.445) 9.320 5.903 ( 3.284 -4.012 -0.359) 5.198 5.934 ( 0.171 -2.534 -1.612) 3.008 6.093 ( 9.631 -2.048 2.110) 10.070 6.239 ( -3.067 -2.576 -0.629) 4.055 6.552 ( 6.885 -5.984 4.173) 10.031 6.749 ( -9.644 -6.258 -2.671) 11.802 7.991 ( 1.155 22.530 -2.192) 22.666 7.998 ( -0.134 18.128 -0.106) 18.129 8.144 ( -2.150 -2.644 -2.884) 4.464 8.156 ( -2.310 2.393 -4.415) 5.528 8.346 ( 2.634 5.102 -0.972) 5.824 8.402 ( -2.181 4.504 -1.773) 5.309 8.507 ( 6.192 0.927 4.097) 7.482 8.610 ( -3.352 1.713 0.006) 3.764 9.061 ( 8.220 13.627 4.432) 16.520 9.190 ( 4.419 12.018 0.029) 12.804 9.232 ( -5.031 11.901 2.509) 13.162 9.336 ( -6.593 9.554 -0.615) 11.624 10.015 ( 16.358 -2.634 -0.657) 16.581 10.051 ( 8.470 0.560 -1.774) 8.672 10.192 ( -2.352 -1.449 -0.198) 2.769 10.260 ( -6.458 -3.092 -2.487) 7.580 10.400 ( 0.665 4.289 1.805) 4.700 10.422 ( -1.982 5.305 0.705) 5.707 10.956 ( 1.510 -6.587 0.902) 6.818 10.985 ( -0.306 -4.999 0.970) 5.101 11.136 ( 0.667 2.554 6.362) 6.888 11.298 ( -15.298 3.003 0.884) 15.615 11.514 ( 13.448 1.288 -4.183) 14.142 11.572 ( 8.555 0.028 -3.281) 9.162 12.031 ( -9.803 -1.624 5.657) 11.434 12.117 ( -17.184 0.294 2.944) 17.437 12.506 ( 0.335 -15.381 -3.921) 15.876 12.546 ( -3.607 -12.191 -4.674) 13.546 12.771 ( 1.669 -5.112 2.330) 5.860 12.804 ( -1.561 -2.578 1.459) 3.348 13.013 ( 2.605 9.004 -0.501) 9.387 13.039 ( 0.395 10.623 -1.259) 10.705 13.771 ( -0.375 -1.888 1.112) 2.223 13.794 ( -2.521 -1.805 1.116) 3.295 14.127 ( 2.665 -3.351 0.196) 4.286 14.167 ( -1.213 -4.031 -1.102) 4.352 16.059 ( 5.684 2.410 0.790) 6.224 16.121 ( 0.166 1.164 -1.497) 1.904 16.429 ( 3.429 -1.301 -0.804) 3.754 16.487 ( -1.691 -0.848 -1.818) 2.624 17.610 ( 2.874 -8.242 1.520) 8.860 17.694 ( -5.219 -9.515 0.791) 10.881 17.932 ( 0.685 -9.047 1.823) 9.254 17.984 ( -4.374 -9.919 0.479) 10.851======================= Grid point 85 (31/72) =======================q-point: ( 0.00 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( 0.000 21.591 11.381) 24.407 1.302 ( 0.000 22.351 11.676) 25.217 1.834 ( 0.000 10.741 -11.490) 15.729 2.005 ( 0.000 11.313 -7.809) 13.746 2.311 ( 0.000 13.332 -3.384) 13.755 2.418 ( 0.000 12.957 13.775) 18.911 2.445 ( 0.000 29.326 10.980) 31.314 2.547 ( 0.000 3.293 -0.836) 3.397 2.630 ( 0.000 8.783 -4.449) 9.845 2.680 ( 0.000 17.775 1.060) 17.807 2.830 ( 0.000 14.940 0.857) 14.965 2.864 ( 0.000 5.382 -11.921) 13.079 2.938 ( 0.000 24.445 -1.897) 24.518 3.010 ( 0.000 17.791 8.802) 19.849 3.072 ( 0.000 20.185 -0.690) 20.196 3.147 ( 0.000 13.152 -1.345) 13.221 3.248 ( 0.000 22.652 1.203) 22.684 3.291 ( 0.000 25.597 -1.813) 25.662 3.417 ( 0.000 17.016 -6.646) 18.268 3.470 ( 0.000 12.099 -0.181) 12.100 3.560 ( 0.000 15.420 8.246) 17.487 3.803 ( 0.000 15.674 2.770) 15.917 3.860 ( 0.000 24.880 -3.818) 25.171 3.900 ( 0.000 15.347 -11.744) 19.325 4.124 ( 0.000 3.130 -10.166) 10.637 4.155 ( 0.000 5.147 16.922) 17.687 4.417 ( 0.000 -0.626 -14.375) 14.389 4.652 ( 0.000 1.142 6.043) 6.150 4.668 ( 0.000 0.766 -0.613) 0.981 4.940 ( 0.000 -1.736 10.278) 10.424 5.042 ( 0.000 -6.519 8.842) 10.986 5.109 ( 0.000 -3.424 -11.096) 11.613 5.459 ( 0.000 -2.641 4.595) 5.300 5.618 ( 0.000 -1.882 -2.351) 3.011 5.669 ( 0.000 -3.170 4.944) 5.873 5.802 ( 0.000 0.832 -3.555) 3.651 5.872 ( 0.000 0.264 -0.963) 0.999 5.937 ( 0.000 -3.099 -0.887) 3.223 6.541 ( 0.000 -5.378 2.245) 5.828 6.671 ( 0.000 -11.171 -2.434) 11.433 8.002 ( 0.000 -4.493 4.008) 6.021 8.099 ( 0.000 -1.454 -0.898) 1.709 8.165 ( 0.000 0.605 -6.609) 6.637 8.295 ( 0.000 0.033 -6.431) 6.431 8.401 ( 0.000 -2.510 0.752) 2.621 8.449 ( 0.000 2.063 -1.707) 2.678 8.620 ( 0.000 19.017 2.155) 19.138 8.748 ( 0.000 13.265 -3.086) 13.620 9.305 ( 0.000 20.611 2.630) 20.778 9.419 ( 0.000 18.768 -1.849) 18.859 9.495 ( 0.000 6.840 12.067) 13.871 9.706 ( 0.000 18.180 1.050) 18.210 9.720 ( 0.000 8.047 0.532) 8.064 9.922 ( 0.000 4.544 -2.659) 5.265 10.119 ( 0.000 0.745 0.495) 0.895 10.331 ( 0.000 -2.570 -7.672) 8.091 10.469 ( 0.000 -0.191 4.504) 4.508 10.618 ( 0.000 -8.526 -1.678) 8.689 10.858 ( 0.000 12.098 3.938) 12.723 10.880 ( 0.000 -2.912 3.400) 4.476 11.072 ( 0.000 0.685 -3.081) 3.156 11.169 ( 0.000 2.434 -6.071) 6.541 11.619 ( 0.000 7.504 0.268) 7.509 11.778 ( 0.000 3.662 -10.563) 11.180 12.223 ( 0.000 -11.137 1.701) 11.266 12.236 ( 0.000 -12.151 -2.885) 12.488 12.406 ( 0.000 -1.105 7.271) 7.355 12.570 ( 0.000 -5.295 7.770) 9.402 12.797 ( 0.000 -1.037 2.208) 2.439 12.925 ( 0.000 0.356 -11.229) 11.234 13.109 ( 0.000 7.463 2.087) 7.749 13.246 ( 0.000 4.027 0.474) 4.055 13.707 ( 0.000 -12.481 3.111) 12.863 13.849 ( 0.000 -2.706 -0.998) 2.884 13.882 ( 0.000 -9.164 -0.569) 9.181 13.929 ( 0.000 -13.403 -3.370) 13.821 15.990 ( 0.000 1.706 -0.026) 1.706 16.069 ( 0.000 0.929 -4.351) 4.449 16.284 ( 0.000 -3.533 1.255) 3.749 16.442 ( 0.000 0.556 -6.574) 6.597 17.376 ( 0.000 -12.554 3.638) 13.070 17.525 ( 0.000 -17.113 -0.031) 17.113 17.707 ( 0.000 -18.884 7.392) 20.279 17.826 ( 0.000 -19.630 0.854) 19.649======================= Grid point 86 (32/72) =======================q-point: ( 0.20 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 9.996 19.024 10.827) 24.063 1.402 ( 8.895 19.559 12.007) 24.614 1.872 ( 3.260 9.079 -10.032) 13.918 2.072 ( 4.002 10.597 -4.218) 12.087 2.267 ( -3.115 13.477 -9.153) 16.586 2.406 ( -11.905 10.081 1.518) 15.673 2.490 ( 5.467 9.645 6.811) 13.012 2.510 ( -2.209 7.656 -0.896) 8.018 2.625 ( 10.993 32.223 13.648) 36.680 2.732 ( -2.317 11.600 -5.714) 13.137 2.819 ( 2.147 10.577 -3.213) 11.261 2.862 ( 1.072 17.393 3.096) 17.699 2.922 ( -0.688 20.145 -1.047) 20.184 3.045 ( -0.819 16.528 -0.767) 16.566 3.116 ( 6.893 14.987 1.966) 16.613 3.173 ( -3.145 22.102 0.527) 22.331 3.220 ( 3.568 15.567 -2.138) 16.113 3.323 ( 2.472 20.840 1.504) 21.040 3.414 ( -0.649 15.959 -3.610) 16.375 3.476 ( -0.634 13.670 0.988) 13.720 3.573 ( 1.960 15.603 6.407) 16.981 3.761 ( -1.072 20.033 -1.762) 20.139 3.832 ( -3.329 25.495 -3.011) 25.887 3.987 ( 5.135 14.300 -10.214) 18.308 4.033 ( -8.595 7.274 10.484) 15.385 4.065 ( -6.112 0.756 -6.404) 8.885 4.369 ( -4.774 2.065 -12.773) 13.791 4.571 ( -5.819 -0.417 -7.925) 9.841 4.805 ( 6.410 -1.266 4.587) 7.984 4.917 ( -1.312 -1.001 12.537) 12.645 4.947 ( -0.672 -2.507 2.903) 3.894 5.174 ( -1.408 -4.425 -2.878) 5.463 5.409 ( -3.982 -4.011 3.737) 6.775 5.446 ( -8.065 -2.509 2.640) 8.849 5.721 ( 3.290 -4.788 2.144) 6.193 5.879 ( 3.553 -0.170 -2.744) 4.492 5.911 ( 4.962 0.813 0.783) 5.089 6.088 ( 10.919 -2.778 -4.464) 12.119 6.444 ( -6.337 -5.928 5.703) 10.384 6.694 ( -0.554 -9.675 -4.273) 10.591 8.052 ( 1.599 -2.799 1.655) 3.623 8.086 ( 0.667 -3.096 0.494) 3.206 8.222 ( 3.334 -0.209 -4.682) 5.751 8.251 ( -0.512 -1.373 -4.163) 4.414 8.431 ( 3.891 1.610 0.192) 4.215 8.489 ( 1.688 8.140 -3.270) 8.933 8.617 ( -0.446 16.464 2.298) 16.629 8.762 ( -0.284 10.033 -3.023) 10.482 9.334 ( 2.286 21.822 3.109) 22.161 9.427 ( 1.991 17.940 -0.784) 18.067 9.569 ( 3.329 7.128 5.539) 9.621 9.652 ( -4.463 7.866 0.840) 9.082 9.742 ( 6.377 14.458 4.322) 16.382 9.979 ( 4.571 7.343 -2.163) 8.916 10.146 ( 2.545 -0.029 0.717) 2.644 10.312 ( -2.435 -2.391 -3.929) 5.204 10.464 ( -1.860 0.675 0.895) 2.172 10.528 ( -3.031 -2.259 -1.362) 4.019 10.839 ( -0.701 -1.296 4.391) 4.632 10.993 ( -1.381 3.659 -0.987) 4.034 11.084 ( 8.916 1.625 1.884) 9.257 11.260 ( 8.121 -0.146 -4.792) 9.430 11.553 ( -4.952 5.099 -0.104) 7.109 11.671 ( -10.786 2.412 -8.250) 13.792 12.146 ( -7.099 -8.808 4.822) 12.297 12.239 ( -0.158 -10.568 -3.631) 11.175 12.342 ( -6.031 -0.798 2.726) 6.666 12.602 ( 1.773 -3.415 6.715) 7.740 12.667 ( -11.137 -2.025 -0.672) 11.340 12.864 ( -6.178 1.088 -4.412) 7.669 13.134 ( 1.503 7.493 0.039) 7.642 13.192 ( -0.050 6.416 0.490) 6.435 13.684 ( -1.541 -10.999 1.383) 11.192 13.765 ( -4.374 -6.943 -0.332) 8.213 13.946 ( 3.247 -8.421 -0.706) 9.053 13.988 ( 3.108 -11.824 -1.842) 12.363 16.020 ( 3.065 1.772 -0.048) 3.541 16.098 ( 2.381 0.150 -3.741) 4.437 16.315 ( 2.959 -3.123 1.650) 4.608 16.467 ( 1.284 -1.045 -4.303) 4.610 17.372 ( -0.129 -13.015 2.903) 13.335 17.506 ( -2.155 -16.721 0.501) 16.867 17.689 ( -1.024 -16.767 4.461) 17.380 17.785 ( -3.498 -18.606 0.522) 18.939======================= Grid point 87 (33/72) =======================q-point: ( 0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( 19.520 12.823 8.640) 24.902 1.620 ( 12.111 14.686 10.708) 21.840 1.844 ( -8.246 10.041 5.636) 14.163 1.997 ( -18.223 10.111 3.755) 21.176 2.184 ( 5.970 9.176 -9.232) 14.320 2.353 ( -3.259 10.189 -12.890) 16.751 2.395 ( 1.977 11.643 -11.410) 16.421 2.573 ( -9.108 13.949 -12.809) 21.014 2.678 ( 10.518 12.632 10.184) 19.336 2.841 ( -1.787 18.877 4.147) 19.409 2.871 ( 0.608 18.008 5.958) 18.978 2.907 ( -0.196 17.825 4.946) 18.500 2.947 ( 9.804 15.552 4.533) 18.935 3.030 ( -0.454 17.001 -1.248) 17.053 3.133 ( 1.308 23.762 5.776) 24.488 3.217 ( 1.492 16.302 4.905) 17.090 3.293 ( 4.499 12.762 -0.536) 13.543 3.393 ( -1.831 17.610 0.170) 17.705 3.397 ( 0.619 17.997 -2.586) 18.192 3.425 ( -2.328 13.186 2.148) 13.562 3.634 ( 3.549 16.193 3.837) 17.015 3.719 ( -4.648 16.526 -1.420) 17.225 3.795 ( 1.399 23.200 -2.644) 23.392 3.835 ( -6.069 13.769 1.809) 15.155 3.972 ( 0.944 7.403 -2.039) 7.737 4.139 ( -2.836 7.799 -11.331) 14.045 4.201 ( -0.267 2.430 -11.890) 12.139 4.404 ( -10.540 3.764 -14.465) 18.289 4.875 ( 4.463 -0.452 4.558) 6.395 4.968 ( 2.055 -2.832 -1.320) 3.739 4.986 ( 1.150 -0.731 6.967) 7.099 5.053 ( -6.218 -3.608 0.888) 7.244 5.335 ( -0.389 -4.945 6.970) 8.555 5.374 ( -2.890 -4.564 8.915) 10.424 5.805 ( 4.444 -5.392 -1.664) 7.183 5.873 ( -2.059 -3.446 -2.986) 5.003 6.074 ( 8.258 0.225 2.941) 8.769 6.205 ( -3.019 -0.591 0.266) 3.088 6.425 ( 7.676 -6.884 1.000) 10.359 6.608 ( -7.800 -7.836 -4.307) 11.865 8.053 ( 0.194 -3.591 -0.100) 3.597 8.073 ( -1.772 -3.783 -0.265) 4.186 8.280 ( 4.392 1.502 -1.178) 4.789 8.324 ( 1.514 2.806 -3.561) 4.780 8.503 ( 2.679 4.277 -0.963) 5.138 8.516 ( 1.095 13.033 -3.028) 13.425 8.615 ( 1.299 11.874 1.587) 12.049 8.696 ( -5.450 6.720 -0.902) 8.699 9.412 ( 5.649 19.947 3.361) 21.002 9.485 ( 3.578 16.168 0.485) 16.566 9.532 ( -5.214 16.899 2.731) 17.895 9.568 ( -4.233 12.470 1.439) 13.247 9.983 ( 12.685 0.842 0.388) 12.719 10.092 ( 5.116 4.159 -0.909) 6.656 10.190 ( -0.421 1.054 0.436) 1.215 10.216 ( -4.572 -0.843 -3.962) 6.108 10.456 ( 2.307 1.846 1.788) 3.453 10.513 ( -0.972 3.013 1.977) 3.733 10.850 ( 2.792 -3.529 0.835) 4.577 10.928 ( -3.351 -1.182 -0.245) 3.562 11.203 ( 0.518 4.870 3.775) 6.183 11.317 ( -10.752 -1.407 -0.559) 10.858 11.525 ( 6.254 0.056 -1.893) 6.535 11.555 ( 5.496 -1.371 -1.848) 5.958 11.989 ( -4.460 -1.638 4.609) 6.620 12.133 ( -14.180 1.005 -0.351) 14.220 12.271 ( 3.005 -6.408 -5.671) 9.070 12.389 ( -9.884 -3.305 -6.986) 12.547 12.683 ( 3.907 -3.025 7.091) 8.643 12.762 ( -4.084 -1.296 4.752) 6.398 13.179 ( 3.365 7.885 -1.969) 8.796 13.222 ( 0.073 7.925 -2.643) 8.354 13.665 ( 0.098 -9.451 0.943) 9.499 13.694 ( -2.633 -8.568 0.905) 9.010 13.997 ( 1.773 -10.095 -0.779) 10.279 14.017 ( -0.063 -11.207 -1.237) 11.275 16.097 ( 3.690 0.756 -0.110) 3.768 16.134 ( 0.390 -0.205 -1.573) 1.633 16.388 ( 3.928 -2.761 1.249) 4.961 16.457 ( -2.397 -2.232 -0.643) 3.338 17.386 ( 1.797 -14.046 0.849) 14.186 17.443 ( -3.551 -15.314 0.247) 15.722 17.685 ( 0.643 -15.532 1.171) 15.590 17.717 ( -2.653 -16.574 0.348) 16.788======================= Grid point 90 (34/72) =======================q-point: ( 0.00 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( 0.000 19.480 6.136) 20.424 1.719 ( 0.000 19.530 3.791) 19.895 2.071 ( 0.000 12.999 -3.847) 13.557 2.255 ( 0.000 14.027 -6.034) 15.270 2.462 ( 0.000 1.635 7.329) 7.509 2.507 ( 0.000 5.527 -3.483) 6.533 2.590 ( 0.000 3.827 -1.974) 4.306 2.653 ( 0.000 5.528 -6.814) 8.774 2.887 ( 0.000 7.188 -9.727) 12.094 2.912 ( 0.000 1.708 -13.584) 13.691 3.194 ( 0.000 10.371 7.995) 13.095 3.248 ( 0.000 8.143 6.340) 10.320 3.344 ( 0.000 20.126 10.177) 22.553 3.393 ( 0.000 33.146 4.412) 33.438 3.503 ( 0.000 21.868 -0.486) 21.873 3.508 ( 0.000 28.269 4.667) 28.651 3.639 ( 0.000 14.871 6.935) 16.409 3.660 ( 0.000 12.675 -0.199) 12.677 3.771 ( 0.000 18.687 2.397) 18.840 3.848 ( 0.000 18.467 1.595) 18.536 3.868 ( 0.000 20.033 4.859) 20.614 4.123 ( 0.000 18.557 6.901) 19.799 4.174 ( 0.000 8.042 -4.821) 9.377 4.313 ( 0.000 22.353 -17.229) 28.222 4.372 ( 0.000 -2.652 -12.544) 12.821 4.434 ( 0.000 27.643 -5.116) 28.112 4.453 ( 0.000 21.954 0.640) 21.963 4.705 ( 0.000 4.591 -1.525) 4.838 4.768 ( 0.000 11.371 4.748) 12.322 4.909 ( 0.000 -6.602 7.347) 9.878 4.918 ( 0.000 -0.310 5.019) 5.029 5.057 ( 0.000 -1.361 -9.720) 9.814 5.428 ( 0.000 0.652 4.027) 4.079 5.563 ( 0.000 -2.976 -1.632) 3.394 5.618 ( 0.000 -1.246 7.871) 7.969 5.832 ( 0.000 1.807 -2.305) 2.928 5.888 ( 0.000 1.234 -0.437) 1.309 5.910 ( 0.000 0.602 -0.813) 1.011 6.467 ( 0.000 -2.069 -0.896) 2.255 6.467 ( 0.000 -8.900 -0.683) 8.926 7.922 ( 0.000 -3.278 2.273) 3.989 8.031 ( 0.000 -4.226 4.593) 6.241 8.098 ( 0.000 -4.285 -5.636) 7.080 8.283 ( 0.000 -2.709 -2.249) 3.521 8.414 ( 0.000 3.330 -1.399) 3.611 8.490 ( 0.000 2.280 -2.849) 3.649 8.908 ( 0.000 9.222 1.080) 9.285 8.962 ( 0.000 7.580 -1.032) 7.650 9.558 ( 0.000 7.593 6.726) 10.143 9.668 ( 0.000 6.439 -0.275) 6.444 9.694 ( 0.000 2.002 6.231) 6.545 9.806 ( 0.000 7.378 2.314) 7.732 9.979 ( 0.000 8.403 -4.268) 9.425 10.136 ( 0.000 13.343 -6.168) 14.700 10.164 ( 0.000 2.159 2.728) 3.479 10.296 ( 0.000 1.945 -1.436) 2.418 10.433 ( 0.000 -10.169 -3.319) 10.697 10.502 ( 0.000 5.340 -2.101) 5.738 10.892 ( 0.000 5.682 5.073) 7.617 11.121 ( 0.000 9.122 -3.246) 9.682 11.182 ( 0.000 14.984 1.788) 15.091 11.260 ( 0.000 6.095 1.768) 6.347 11.730 ( 0.000 3.747 0.064) 3.748 11.793 ( 0.000 -1.488 -4.671) 4.903 12.097 ( 0.000 -1.706 -0.006) 1.706 12.128 ( 0.000 0.089 -5.627) 5.628 12.350 ( 0.000 -4.927 4.856) 6.918 12.526 ( 0.000 2.078 11.117) 11.310 12.757 ( 0.000 -3.045 5.164) 5.995 12.867 ( 0.000 -7.813 -12.750) 14.954 13.239 ( 0.000 -6.139 2.269) 6.545 13.241 ( 0.000 5.015 -1.216) 5.160 13.471 ( 0.000 -9.457 7.114) 11.834 13.665 ( 0.000 -11.847 -4.655) 12.729 13.681 ( 0.000 -10.109 -4.064) 10.895 13.730 ( 0.000 -9.466 -2.219) 9.723 15.967 ( 0.000 -3.509 -0.653) 3.570 16.060 ( 0.000 -1.150 -4.729) 4.867 16.227 ( 0.000 -2.316 4.609) 5.158 16.425 ( 0.000 -1.738 -3.341) 3.766 17.103 ( 0.000 -14.640 2.315) 14.822 17.172 ( 0.000 -18.127 1.314) 18.175 17.326 ( 0.000 -19.970 2.758) 20.159 17.417 ( 0.000 -21.116 -0.287) 21.118======================= Grid point 91 (35/72) =======================q-point: ( 0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 6.054 18.700 6.186) 20.606 1.776 ( 5.456 17.802 4.435) 19.140 2.082 ( 1.290 11.925 -4.033) 12.655 2.302 ( 3.081 12.306 -4.609) 13.497 2.460 ( -7.346 6.928 -7.337) 12.482 2.536 ( 6.919 1.580 5.580) 9.028 2.558 ( -4.130 5.380 -0.840) 6.834 2.607 ( -0.435 6.807 -3.779) 7.798 2.863 ( -0.825 4.255 -7.800) 8.924 2.944 ( 0.890 5.218 -7.892) 9.503 3.178 ( 1.800 6.084 3.572) 7.281 3.289 ( 1.384 10.780 3.476) 11.411 3.336 ( -1.289 16.329 9.998) 19.190 3.413 ( -3.238 18.952 0.881) 19.247 3.461 ( 2.768 32.456 3.613) 32.773 3.544 ( 1.731 20.169 1.652) 20.311 3.626 ( -1.589 23.139 3.255) 23.421 3.649 ( 1.204 15.492 2.525) 15.742 3.735 ( -0.467 11.086 6.177) 12.699 3.821 ( -2.475 23.135 -2.174) 23.368 3.984 ( 6.746 21.913 3.927) 23.262 4.099 ( -6.991 6.391 -1.645) 9.614 4.121 ( 0.026 18.378 7.599) 19.887 4.263 ( -5.384 10.712 -10.515) 15.947 4.351 ( 2.568 22.638 -14.169) 26.830 4.438 ( -2.452 25.833 -0.130) 25.950 4.464 ( -0.881 12.725 -7.424) 14.759 4.659 ( -3.199 10.361 -4.030) 11.568 4.822 ( 2.835 3.463 2.867) 5.315 4.851 ( -0.530 -2.525 3.405) 4.272 4.963 ( 4.493 3.132 5.846) 8.011 5.120 ( -0.268 -0.359 -2.887) 2.922 5.324 ( -5.521 -3.253 2.799) 6.993 5.433 ( -8.381 1.965 -1.077) 8.675 5.640 ( 1.627 -2.809 5.958) 6.785 5.863 ( -1.013 -1.225 -3.111) 3.494 5.955 ( 6.619 3.430 1.096) 7.535 6.038 ( 11.016 -2.452 -1.638) 11.404 6.354 ( -5.984 -3.165 2.682) 7.281 6.520 ( -0.044 -7.289 -3.511) 8.091 7.982 ( 4.271 -3.807 2.396) 6.203 8.005 ( -1.404 -3.565 4.123) 5.628 8.145 ( 2.040 -4.189 -4.038) 6.166 8.243 ( 0.940 -1.486 -3.679) 4.078 8.463 ( 3.660 1.571 0.990) 4.104 8.588 ( 6.977 3.459 -3.415) 8.503 8.887 ( -2.010 9.225 -0.200) 9.443 8.927 ( -4.046 5.564 -1.315) 7.004 9.627 ( 1.941 0.519 3.206) 3.783 9.650 ( 4.229 9.306 1.979) 10.411 9.706 ( 1.977 7.766 2.853) 8.506 9.825 ( 2.616 9.911 3.687) 10.894 10.041 ( 1.450 11.648 -1.751) 11.868 10.136 ( 2.617 5.273 2.499) 6.395 10.214 ( 3.078 1.023 -6.454) 7.223 10.264 ( -3.124 4.456 3.474) 6.456 10.432 ( 1.905 -3.137 -3.617) 5.153 10.520 ( 1.573 4.854 -4.325) 6.689 10.863 ( -2.732 4.092 4.197) 6.466 11.050 ( -6.831 3.083 -1.975) 7.750 11.264 ( 7.432 12.575 1.576) 14.692 11.293 ( 2.638 5.032 1.994) 6.021 11.619 ( -9.328 1.867 -0.059) 9.514 11.686 ( -9.205 -0.019 -3.959) 10.020 12.040 ( -4.053 -1.826 1.975) 4.865 12.153 ( 1.633 1.300 -6.743) 7.059 12.327 ( -2.500 -1.449 2.302) 3.694 12.580 ( 4.222 2.314 10.196) 11.276 12.648 ( -9.164 -0.687 -0.817) 9.226 12.867 ( -4.747 -1.601 -4.293) 6.598 13.207 ( 2.177 -3.821 2.623) 5.121 13.236 ( 0.682 -2.892 0.087) 2.973 13.461 ( -1.096 -7.428 1.537) 7.664 13.601 ( -5.615 -8.097 -3.309) 10.394 13.709 ( 2.466 -13.938 -2.381) 14.353 13.759 ( 0.914 -12.042 -2.118) 12.261 16.001 ( 3.200 -3.258 -0.979) 4.671 16.082 ( 1.783 -1.462 -4.532) 5.085 16.257 ( 2.899 -2.583 4.680) 6.081 16.431 ( 0.078 -2.247 -1.598) 2.759 17.088 ( -1.009 -15.238 1.978) 15.399 17.161 ( -1.343 -17.762 0.987) 17.840 17.333 ( 0.675 -19.025 1.542) 19.099 17.394 ( -1.815 -20.288 -0.272) 20.371======================= Grid point 92 (36/72) =======================q-point: ( 0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 13.030 13.749 5.606) 19.755 1.914 ( 7.353 14.343 5.003) 16.876 2.067 ( -3.982 11.968 1.489) 12.701 2.190 ( -16.188 9.389 2.093) 18.830 2.373 ( 5.338 10.447 -6.676) 13.499 2.509 ( -6.682 7.754 -9.240) 13.789 2.606 ( 7.460 8.687 -10.730) 15.692 2.727 ( 4.066 4.141 -3.696) 6.880 2.814 ( -0.283 5.795 2.721) 6.408 2.939 ( -3.936 1.523 5.535) 6.961 3.214 ( 1.614 8.154 1.770) 8.499 3.270 ( -3.957 11.823 3.382) 12.918 3.365 ( 6.093 14.595 0.846) 15.839 3.385 ( 2.868 12.837 2.620) 13.412 3.464 ( -2.760 20.455 1.126) 20.671 3.564 ( -5.192 5.046 -1.833) 7.469 3.644 ( 3.549 24.498 4.328) 25.129 3.696 ( 3.040 23.882 3.659) 24.351 3.743 ( 1.499 15.685 -1.955) 15.878 3.763 ( -2.796 21.170 -2.882) 21.547 4.004 ( 0.875 13.659 3.313) 14.083 4.084 ( 2.623 25.520 7.646) 26.770 4.101 ( -4.643 12.948 -0.095) 13.755 4.165 ( -1.906 12.167 -0.591) 12.330 4.343 ( -3.365 26.679 -0.359) 26.892 4.376 ( -5.276 20.510 -2.990) 21.388 4.466 ( 5.931 18.760 -11.831) 22.959 4.582 ( -4.820 14.182 -8.555) 17.250 4.888 ( 4.821 -0.043 1.225) 4.974 4.921 ( 5.566 1.890 -0.868) 5.941 5.013 ( -5.208 0.993 0.384) 5.316 5.031 ( -2.533 5.602 0.722) 6.191 5.258 ( -0.274 -1.911 5.739) 6.055 5.316 ( -3.990 0.354 4.570) 6.077 5.708 ( 4.905 -3.996 0.174) 6.329 5.806 ( -4.224 -3.144 -2.465) 5.814 6.098 ( 6.910 2.076 2.658) 7.689 6.217 ( -2.692 1.659 1.525) 3.511 6.284 ( 7.524 -7.289 -0.736) 10.502 6.453 ( -6.482 -7.405 -4.011) 10.627 7.988 ( 0.034 -2.601 2.517) 3.619 8.006 ( -1.381 -2.804 1.812) 3.613 8.224 ( 6.357 -3.957 -0.035) 7.488 8.305 ( 0.477 -3.123 -2.563) 4.068 8.541 ( 5.647 0.345 0.257) 5.663 8.673 ( -2.700 3.891 -4.953) 6.853 8.816 ( -1.044 5.617 0.107) 5.714 8.858 ( -2.511 8.652 -1.874) 9.201 9.689 ( 4.729 4.851 3.351) 7.559 9.744 ( 0.449 8.432 1.065) 8.511 9.765 ( 5.247 9.511 0.888) 10.899 9.851 ( -2.334 13.110 1.534) 13.404 10.067 ( 1.900 6.008 1.054) 6.389 10.134 ( -5.204 -2.431 1.017) 5.833 10.243 ( 6.958 4.359 3.163) 8.799 10.302 ( 1.796 10.215 -2.761) 10.733 10.512 ( 4.467 4.638 -1.725) 6.666 10.558 ( 1.433 3.877 -2.303) 4.731 10.817 ( -0.147 -0.456 0.688) 0.839 10.908 ( -7.213 -1.265 -1.254) 7.429 11.249 ( -3.661 -3.539 1.941) 5.450 11.310 ( -7.569 3.107 0.002) 8.182 11.539 ( 3.878 3.612 0.709) 5.347 11.583 ( 0.357 4.465 0.138) 4.481 12.000 ( 3.029 2.885 2.582) 4.915 12.158 ( -5.628 2.863 -3.661) 7.298 12.266 ( 0.379 3.623 -4.895) 6.102 12.398 ( -12.006 3.205 -6.841) 14.185 12.672 ( 4.437 2.131 9.983) 11.130 12.758 ( -4.499 0.877 7.124) 8.471 13.290 ( 4.601 -0.056 -2.375) 5.178 13.319 ( 5.119 -0.977 -1.857) 5.533 13.421 ( -2.215 -12.257 0.248) 12.458 13.481 ( -5.909 -10.497 -0.263) 12.049 13.740 ( 0.922 -14.808 -1.999) 14.971 13.757 ( -0.775 -14.187 -1.868) 14.331 16.074 ( 3.267 -3.050 -1.712) 4.786 16.108 ( 0.108 -2.445 -3.190) 4.020 16.332 ( 4.174 -2.678 3.908) 6.314 16.406 ( -2.751 -2.588 1.693) 4.139 17.082 ( 0.768 -16.198 0.453) 16.223 17.119 ( -2.482 -17.059 0.050) 17.239 17.348 ( 0.672 -18.102 0.366) 18.118 17.363 ( -1.074 -18.685 -0.010) 18.716======================= Grid point 95 (37/72) =======================q-point: ( 0.00 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 0.000 15.448 2.575) 15.661 2.057 ( 0.000 14.892 -2.128) 15.043 2.324 ( 0.000 11.927 1.973) 12.089 2.496 ( 0.000 2.288 6.219) 6.626 2.509 ( 0.000 6.677 -4.167) 7.871 2.582 ( 0.000 8.748 -0.596) 8.769 2.685 ( 0.000 4.000 -3.411) 5.256 2.784 ( 0.000 7.156 -7.379) 10.279 2.962 ( 0.000 4.076 -9.408) 10.253 3.042 ( 0.000 8.792 -11.051) 14.122 3.263 ( 0.000 0.282 9.449) 9.453 3.284 ( 0.000 -0.299 7.026) 7.032 3.682 ( 0.000 10.437 12.216) 16.067 3.696 ( 0.000 3.010 4.115) 5.098 3.780 ( 0.000 7.409 -5.977) 9.520 3.797 ( 0.000 4.297 7.407) 8.563 3.908 ( 0.000 10.594 4.023) 11.332 4.079 ( 0.000 13.694 -2.766) 13.971 4.103 ( 0.000 12.607 3.468) 13.075 4.177 ( 0.000 11.018 -3.424) 11.537 4.301 ( 0.000 6.289 -2.454) 6.751 4.314 ( 0.000 16.077 2.659) 16.296 4.401 ( 0.000 19.585 -4.601) 20.118 4.509 ( 0.000 19.287 4.998) 19.924 4.715 ( 0.000 15.122 -4.781) 15.860 4.815 ( 0.000 3.474 7.017) 7.830 4.851 ( 0.000 16.918 -5.148) 17.684 4.915 ( 0.000 0.662 -4.264) 4.315 4.932 ( 0.000 21.387 -2.943) 21.589 4.975 ( 0.000 11.169 -6.623) 12.985 5.048 ( 0.000 14.413 1.156) 14.459 5.107 ( 0.000 14.826 -1.931) 14.952 5.524 ( 0.000 9.070 4.774) 10.250 5.551 ( 0.000 2.992 1.080) 3.181 5.686 ( 0.000 10.166 3.901) 10.889 5.848 ( 0.000 0.843 -4.394) 4.474 5.920 ( 0.000 2.329 0.501) 2.382 5.988 ( 0.000 7.404 0.087) 7.405 6.343 ( 0.000 -3.568 2.563) 4.393 6.455 ( 0.000 0.586 -1.646) 1.747 7.884 ( 0.000 -0.304 1.604) 1.633 7.967 ( 0.000 -1.895 6.477) 6.748 8.044 ( 0.000 -0.710 -5.328) 5.375 8.227 ( 0.000 -2.417 -0.645) 2.502 8.479 ( 0.000 2.995 -1.063) 3.179 8.539 ( 0.000 2.828 -2.164) 3.560 9.004 ( 0.000 1.511 1.268) 1.973 9.039 ( 0.000 0.609 -0.295) 0.676 9.588 ( 0.000 -4.095 4.612) 6.168 9.685 ( 0.000 2.102 8.488) 8.744 9.751 ( 0.000 3.944 -2.736) 4.800 9.906 ( 0.000 -0.212 0.421) 0.471 10.082 ( 0.000 -5.644 -5.212) 7.682 10.163 ( 0.000 -0.471 -5.839) 5.858 10.205 ( 0.000 2.560 0.448) 2.599 10.225 ( 0.000 -2.048 -1.174) 2.361 10.566 ( 0.000 13.186 -5.047) 14.118 10.687 ( 0.000 12.307 -3.693) 12.850 11.051 ( 0.000 7.860 3.791) 8.727 11.273 ( 0.000 6.474 -4.431) 7.846 11.380 ( 0.000 5.534 12.473) 13.646 11.494 ( 0.000 12.850 2.659) 13.122 11.747 ( 0.000 -2.699 1.156) 2.936 11.787 ( 0.000 3.419 1.458) 3.716 12.130 ( 0.000 2.664 -0.281) 2.679 12.159 ( 0.000 0.875 -4.175) 4.266 12.215 ( 0.000 -6.740 -0.151) 6.742 12.572 ( 0.000 -16.234 -12.595) 20.547 12.685 ( 0.000 -3.857 7.482) 8.417 12.686 ( 0.000 8.597 7.600) 11.475 13.042 ( 0.000 -13.226 7.080) 15.002 13.253 ( 0.000 -3.862 -3.251) 5.048 13.324 ( 0.000 -4.899 3.464) 6.000 13.444 ( 0.000 -14.220 -3.669) 14.686 13.533 ( 0.000 -5.557 -5.803) 8.035 13.585 ( 0.000 -0.738 -4.729) 4.786 15.884 ( 0.000 -4.231 -0.525) 4.264 16.036 ( 0.000 -1.141 -7.333) 7.421 16.189 ( 0.000 -1.660 6.527) 6.735 16.391 ( 0.000 -1.491 0.072) 1.493 16.823 ( 0.000 -13.450 1.947) 13.590 16.833 ( 0.000 -16.067 3.139) 16.371 16.939 ( 0.000 -18.720 -0.072) 18.721 17.030 ( 0.000 -17.389 -1.897) 17.492======================= Grid point 96 (38/72) =======================q-point: ( 0.20 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 4.514 15.100 2.584) 15.971 2.087 ( 3.024 13.790 -1.703) 14.220 2.317 ( -0.399 11.165 0.842) 11.204 2.492 ( -0.855 5.343 0.011) 5.412 2.546 ( -0.387 1.591 0.004) 1.638 2.623 ( 2.770 9.101 0.152) 9.514 2.664 ( 0.501 5.688 -4.178) 7.075 2.768 ( 1.165 8.678 -3.399) 9.393 2.956 ( -0.846 5.767 -7.772) 9.715 3.050 ( -0.485 6.080 -7.518) 9.681 3.226 ( -0.477 0.694 4.871) 4.943 3.325 ( 1.548 -0.242 6.734) 6.914 3.567 ( -5.523 3.603 9.059) 11.205 3.664 ( -6.035 6.922 -4.955) 10.435 3.769 ( 1.391 7.591 5.903) 9.717 3.786 ( -3.647 2.592 0.880) 4.560 3.939 ( -1.819 11.263 1.281) 11.480 4.020 ( 2.367 14.201 6.534) 15.811 4.120 ( -2.002 13.755 -0.589) 13.913 4.213 ( 0.979 12.928 0.886) 12.995 4.286 ( -2.879 6.815 -5.825) 9.416 4.331 ( 4.702 12.633 -1.030) 13.519 4.405 ( 0.288 21.172 -1.342) 21.217 4.555 ( 4.139 22.784 6.399) 24.025 4.652 ( -4.247 7.528 0.420) 8.654 4.799 ( -2.711 10.377 0.718) 10.749 4.838 ( 3.340 14.187 -3.355) 14.956 4.888 ( -2.965 6.831 -2.175) 7.758 4.950 ( -1.735 22.001 -1.960) 22.157 5.003 ( 1.897 12.687 -2.456) 13.061 5.095 ( 5.847 5.716 -4.716) 9.439 5.196 ( 5.001 12.943 -1.977) 14.016 5.381 ( -6.391 11.374 1.819) 13.173 5.567 ( -4.020 11.911 -2.322) 12.784 5.664 ( -0.157 7.240 6.720) 9.880 5.848 ( -1.471 0.705 -2.032) 2.606 5.998 ( 7.098 -0.893 0.858) 7.205 6.043 ( 5.026 5.844 -0.518) 7.726 6.311 ( -2.769 -1.450 2.973) 4.314 6.435 ( -2.383 -1.218 -1.801) 3.225 7.925 ( 3.145 -1.354 2.421) 4.193 7.961 ( -0.247 -1.125 4.945) 5.077 8.091 ( 3.405 -0.921 -4.082) 5.395 8.210 ( 0.443 -1.241 -1.969) 2.369 8.494 ( 1.205 1.803 1.905) 2.886 8.642 ( 8.222 2.200 -3.056) 9.043 8.974 ( -6.565 0.618 -0.209) 6.597 9.004 ( -0.096 2.818 -1.286) 3.099 9.593 ( 2.365 -2.695 4.792) 5.985 9.769 ( 4.470 3.947 0.342) 5.973 9.777 ( 4.497 0.772 4.197) 6.200 9.920 ( 2.994 -0.465 1.175) 3.250 10.084 ( -1.461 -8.201 -5.073) 9.753 10.189 ( -0.541 2.140 -0.829) 2.357 10.235 ( 1.182 1.805 0.006) 2.158 10.291 ( 10.966 3.133 -1.287) 11.477 10.573 ( 0.727 10.309 -6.303) 12.105 10.698 ( 0.789 11.633 -4.474) 12.489 10.964 ( -7.773 4.200 2.799) 9.268 11.122 ( -11.465 3.472 -1.214) 12.041 11.349 ( -5.789 2.796 10.609) 12.404 11.524 ( 0.011 7.747 1.121) 7.828 11.668 ( -7.433 5.227 1.125) 9.156 11.703 ( -2.829 2.412 -0.583) 3.763 12.055 ( -2.553 2.201 2.105) 3.974 12.237 ( 4.069 5.370 -6.402) 9.294 12.266 ( 3.565 -4.581 0.536) 5.830 12.567 ( -1.333 -9.224 -9.451) 13.274 12.715 ( 2.217 7.276 8.537) 11.434 12.778 ( 6.215 -3.241 4.652) 8.413 13.027 ( -1.548 -15.398 6.143) 16.650 13.091 ( -7.607 -3.177 1.716) 8.421 13.364 ( -0.872 -8.314 -1.263) 8.454 13.402 ( -3.910 -13.791 -2.794) 14.604 13.529 ( -0.153 -5.131 -5.455) 7.491 13.576 ( -0.874 -1.957 -4.778) 5.237 15.923 ( 3.470 -4.040 -1.234) 5.467 16.045 ( 0.624 -2.072 -6.461) 6.814 16.215 ( 2.589 -1.805 5.963) 6.747 16.388 ( -0.472 -2.061 1.002) 2.340 16.798 ( -1.731 -13.780 2.508) 14.113 16.827 ( -0.978 -15.960 2.263) 16.149 16.967 ( 2.182 -17.484 -0.616) 17.631 17.021 ( -0.597 -16.836 -1.746) 16.936======================= Grid point 97 (39/72) =======================q-point: ( 0.40 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( 7.348 12.419 2.694) 14.679 2.168 ( 4.026 11.498 -0.043) 12.182 2.287 ( -2.689 9.973 -0.554) 10.344 2.353 ( -9.682 7.108 -0.116) 12.012 2.576 ( 4.053 8.116 -1.301) 9.165 2.649 ( -1.231 6.368 -2.877) 7.095 2.750 ( 6.224 6.151 -6.114) 10.675 2.837 ( 3.081 8.058 -3.652) 9.368 2.925 ( -2.409 5.919 0.587) 6.417 2.985 ( -4.268 4.490 2.416) 6.649 3.271 ( 4.306 -0.031 1.059) 4.435 3.348 ( -0.538 -0.049 0.453) 0.705 3.477 ( -0.787 4.014 1.132) 4.244 3.593 ( -6.024 1.223 -1.206) 6.264 3.665 ( -0.711 5.427 1.997) 5.826 3.743 ( -4.409 5.015 5.065) 8.381 3.951 ( 4.390 10.075 0.788) 11.018 4.065 ( -5.255 8.965 -5.300) 11.666 4.100 ( 3.953 17.287 2.579) 17.920 4.171 ( -3.060 17.435 1.292) 17.749 4.244 ( 1.610 13.489 3.046) 13.922 4.334 ( -5.150 17.014 2.094) 17.899 4.507 ( 7.695 10.942 -1.896) 13.510 4.595 ( -0.019 19.103 0.721) 19.117 4.682 ( 4.941 11.413 0.882) 12.468 4.747 ( -1.376 10.657 3.562) 11.320 4.813 ( -3.143 9.864 1.054) 10.406 4.853 ( -6.563 21.940 2.102) 22.997 4.946 ( 5.523 10.507 -2.919) 12.223 5.023 ( -1.120 8.121 -0.337) 8.205 5.182 ( 2.496 10.379 -8.203) 13.463 5.223 ( -1.767 13.279 -6.878) 15.058 5.369 ( 4.149 16.509 1.264) 17.069 5.464 ( -5.026 15.704 -2.281) 16.646 5.695 ( 3.237 4.802 4.829) 7.540 5.780 ( -4.525 2.150 0.674) 5.055 6.137 ( 4.991 -0.154 0.531) 5.021 6.166 ( 5.791 -2.221 -0.778) 6.251 6.256 ( -1.166 1.770 2.801) 3.513 6.350 ( -6.041 -2.136 -1.138) 6.508 7.955 ( 0.544 -0.835 3.435) 3.577 7.967 ( -0.245 -1.103 2.465) 2.712 8.170 ( 5.104 -1.152 -0.719) 5.282 8.244 ( -0.391 -2.341 -2.547) 3.481 8.550 ( 6.104 1.350 2.154) 6.612 8.718 ( -6.784 1.763 -3.682) 7.918 8.884 ( 3.804 1.968 -0.036) 4.283 8.978 ( -3.177 3.838 -3.397) 6.030 9.698 ( 6.863 -2.253 4.178) 8.345 9.807 ( -2.673 -1.347 3.162) 4.354 9.879 ( 7.222 2.578 -2.573) 8.089 10.003 ( -1.971 2.067 -1.060) 3.046 10.058 ( 2.664 -3.879 1.448) 4.924 10.149 ( -3.977 1.339 0.873) 4.287 10.339 ( 10.765 5.132 3.141) 12.333 10.481 ( 2.310 7.538 3.388) 8.581 10.614 ( 4.557 3.658 -8.419) 10.248 10.702 ( -0.707 7.526 -5.253) 9.206 10.811 ( -5.348 -0.473 -1.087) 5.478 10.889 ( -9.957 0.503 -2.336) 10.240 11.210 ( -3.151 0.597 7.998) 8.617 11.327 ( -12.678 0.430 1.723) 12.802 11.673 ( 2.041 7.576 0.435) 7.858 11.689 ( 0.546 5.301 0.076) 5.329 12.089 ( 6.720 5.233 2.542) 8.888 12.246 ( -4.829 4.646 -2.437) 7.130 12.347 ( 4.471 3.583 -3.955) 6.962 12.462 ( -7.624 1.450 -6.076) 9.857 12.758 ( 2.260 5.370 8.093) 9.972 12.805 ( -2.257 4.721 6.697) 8.499 13.054 ( 5.103 -17.006 3.611) 18.119 13.078 ( 2.334 -14.414 1.920) 14.727 13.296 ( -3.882 -11.457 -2.782) 12.413 13.309 ( -4.617 -11.600 -2.022) 12.647 13.533 ( 0.617 -4.629 -4.980) 6.827 13.553 ( -1.236 -3.627 -4.776) 6.123 15.998 ( 3.464 -3.968 -2.769) 5.951 16.045 ( -1.028 -3.531 -4.614) 5.900 16.286 ( 4.108 -2.114 4.890) 6.728 16.359 ( -2.689 -2.421 3.192) 4.825 16.775 ( -0.092 -14.434 1.519) 14.514 16.796 ( -1.786 -15.300 1.323) 15.461 17.004 ( 1.189 -16.187 -0.937) 16.258 17.015 ( -0.135 -15.935 -1.181) 15.979======================= Grid point 100 (40/72) =======================q-point: ( 0.00 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( 0.000 11.989 0.723) 12.011 2.305 ( 0.000 10.118 -3.923) 10.852 2.496 ( 0.000 5.790 2.241) 6.209 2.545 ( 0.000 0.677 -0.021) 0.678 2.580 ( 0.000 6.083 4.708) 7.692 2.735 ( 0.000 1.436 -4.754) 4.967 2.826 ( 0.000 11.707 -2.486) 11.968 2.901 ( 0.000 4.158 -7.002) 8.143 3.092 ( 0.000 8.726 -3.913) 9.563 3.181 ( 0.000 2.538 5.224) 5.808 3.281 ( 0.000 0.960 6.203) 6.277 3.296 ( 0.000 6.034 -4.875) 7.757 3.676 ( 0.000 -2.969 10.346) 10.764 3.770 ( 0.000 1.204 4.503) 4.661 3.833 ( 0.000 -0.394 -0.758) 0.854 3.859 ( 0.000 -0.159 -0.964) 0.977 3.993 ( 0.000 -0.415 0.876) 0.970 4.105 ( 0.000 -5.445 -3.273) 6.353 4.179 ( 0.000 -2.183 2.116) 3.040 4.212 ( 0.000 -2.619 -2.233) 3.442 4.470 ( 0.000 7.632 -1.188) 7.724 4.560 ( 0.000 1.563 -1.220) 1.983 4.662 ( 0.000 15.148 4.771) 15.882 4.891 ( 0.000 0.412 -3.734) 3.757 4.901 ( 0.000 8.558 -4.479) 9.659 4.917 ( 0.000 -3.091 -1.611) 3.486 5.020 ( 0.000 13.711 2.075) 13.867 5.095 ( 0.000 22.255 -0.543) 22.262 5.251 ( 0.000 12.024 4.757) 12.931 5.283 ( 0.000 18.551 -0.100) 18.551 5.381 ( 0.000 19.552 1.742) 19.630 5.529 ( 0.000 20.111 -5.086) 20.744 5.667 ( 0.000 7.724 0.159) 7.726 5.740 ( 0.000 10.971 0.060) 10.971 5.950 ( 0.000 10.693 -4.751) 11.701 5.975 ( 0.000 15.334 -6.584) 16.688 6.025 ( 0.000 10.889 7.243) 13.078 6.187 ( 0.000 11.842 -0.077) 11.842 6.311 ( 0.000 -0.168 5.388) 5.391 6.471 ( 0.000 0.592 -0.803) 0.997 7.918 ( 0.000 3.574 1.953) 4.073 7.964 ( 0.000 1.768 5.386) 5.669 8.069 ( 0.000 2.731 -4.854) 5.569 8.203 ( 0.000 0.375 -1.548) 1.593 8.534 ( 0.000 2.765 1.187) 3.009 8.603 ( 0.000 3.634 -0.681) 3.697 8.994 ( 0.000 -2.038 0.565) 2.115 9.006 ( 0.000 -3.351 -0.032) 3.351 9.554 ( 0.000 1.307 4.856) 5.029 9.716 ( 0.000 1.320 5.924) 6.069 9.830 ( 0.000 -5.849 0.277) 5.855 9.839 ( 0.000 2.364 -5.666) 6.139 9.944 ( 0.000 -4.298 -4.862) 6.489 10.007 ( 0.000 -7.132 -2.014) 7.410 10.267 ( 0.000 3.761 0.819) 3.849 10.389 ( 0.000 9.822 -5.146) 11.088 10.714 ( 0.000 1.797 -2.821) 3.345 10.935 ( 0.000 12.100 -5.996) 13.504 11.122 ( 0.000 -1.627 5.149) 5.399 11.342 ( 0.000 -0.091 -4.261) 4.262 11.480 ( 0.000 5.330 16.419) 17.262 11.610 ( 0.000 -0.387 5.059) 5.074 11.676 ( 0.000 -5.049 4.699) 6.897 11.909 ( 0.000 7.817 0.106) 7.818 11.997 ( 0.000 -19.096 -5.041) 19.750 12.004 ( 0.000 -8.569 -4.796) 9.820 12.300 ( 0.000 8.646 -1.166) 8.724 12.344 ( 0.000 -2.618 -4.625) 5.314 12.622 ( 0.000 -2.321 6.379) 6.789 12.642 ( 0.000 -16.081 8.130) 18.019 13.001 ( 0.000 11.035 0.642) 11.054 13.048 ( 0.000 -17.076 -4.461) 17.649 13.260 ( 0.000 -1.749 -0.137) 1.755 13.273 ( 0.000 -2.117 -4.414) 4.895 13.436 ( 0.000 -3.685 0.022) 3.685 13.608 ( 0.000 0.970 -5.869) 5.949 15.822 ( 0.000 -1.681 -0.266) 1.702 16.019 ( 0.000 -0.624 -9.386) 9.407 16.157 ( 0.000 -1.620 6.788) 6.979 16.368 ( 0.000 -1.044 1.112) 1.525 16.534 ( 0.000 -14.710 4.043) 15.256 16.577 ( 0.000 -11.621 0.920) 11.657 16.638 ( 0.000 -10.635 0.516) 10.648 16.766 ( 0.000 -9.127 -2.262) 9.403======================= Grid point 101 (41/72) =======================q-point: ( 0.20 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( 3.614 11.466 0.217) 12.024 2.319 ( 1.520 9.716 -3.697) 10.506 2.493 ( -0.489 6.794 1.705) 7.022 2.555 ( -1.284 1.102 -1.005) 1.968 2.585 ( 1.015 3.992 4.713) 6.259 2.731 ( 1.031 2.190 -2.529) 3.501 2.821 ( -0.199 8.418 -3.149) 8.990 2.929 ( 2.660 5.887 -6.718) 9.320 3.084 ( -0.754 7.466 -0.335) 7.512 3.176 ( 1.467 4.424 2.396) 5.240 3.257 ( -3.552 4.806 -2.301) 6.404 3.340 ( 2.820 3.018 2.849) 5.018 3.587 ( -4.914 -0.159 8.168) 9.534 3.723 ( -6.001 0.001 -3.360) 6.878 3.774 ( -1.684 -1.564 3.238) 3.971 3.830 ( -6.170 -1.392 2.003) 6.634 4.013 ( 0.799 -1.751 2.639) 3.267 4.118 ( 0.502 -2.399 4.550) 5.169 4.207 ( 4.222 -0.055 -3.657) 5.585 4.286 ( 6.461 -2.879 -4.090) 8.170 4.476 ( 0.744 7.037 -1.158) 7.171 4.534 ( -2.775 4.369 0.617) 5.212 4.675 ( 1.423 11.026 2.788) 11.462 4.833 ( -5.526 12.080 -2.786) 13.573 4.882 ( -1.516 2.311 -0.895) 2.906 4.958 ( 2.707 -0.482 -3.288) 4.287 5.026 ( -0.248 8.897 1.389) 9.008 5.093 ( 1.027 16.695 0.398) 16.731 5.237 ( -0.947 15.510 2.365) 15.718 5.301 ( 2.287 15.396 0.368) 15.569 5.365 ( -1.700 18.555 1.703) 18.710 5.532 ( -0.264 17.530 -6.145) 18.578 5.699 ( 3.084 16.726 -0.113) 17.008 5.791 ( 4.005 8.331 0.723) 9.272 5.919 ( -1.964 16.285 -5.092) 17.175 5.984 ( -0.402 13.894 -3.943) 14.448 6.051 ( 2.670 7.731 6.190) 10.257 6.203 ( 1.529 10.347 -0.632) 10.478 6.297 ( -1.321 -0.096 5.068) 5.238 6.440 ( -2.941 0.891 -0.458) 3.107 7.939 ( 1.587 2.609 2.318) 3.834 7.960 ( -0.087 1.195 3.926) 4.105 8.110 ( 3.248 2.454 -3.298) 5.239 8.210 ( 1.042 1.316 -2.341) 2.881 8.546 ( 1.339 3.702 2.891) 4.884 8.683 ( 7.115 2.195 -1.734) 7.645 8.970 ( -4.117 -0.691 0.229) 4.181 9.021 ( 1.923 -0.894 -1.304) 2.490 9.563 ( 1.843 0.554 5.667) 5.985 9.774 ( 3.053 -0.599 5.573) 6.382 9.839 ( -0.003 2.776 -4.539) 5.320 9.847 ( 4.000 -5.898 -0.260) 7.132 9.943 ( 0.526 -4.876 -4.194) 6.453 10.074 ( 5.013 -8.483 -1.430) 9.957 10.309 ( 3.929 5.335 1.068) 6.712 10.450 ( 6.403 8.200 -6.053) 12.037 10.665 ( -4.559 -0.714 -0.972) 4.716 10.899 ( -6.737 4.254 -3.673) 8.773 10.999 ( -6.742 2.957 1.255) 7.468 11.164 ( -12.958 0.796 -2.946) 13.312 11.421 ( -7.033 5.053 13.906) 16.382 11.581 ( -4.557 0.952 2.667) 5.365 11.726 ( 0.043 -0.118 0.651) 0.663 11.821 ( -4.288 5.829 -0.532) 7.256 11.984 ( 4.513 -13.544 0.239) 14.278 12.141 ( 7.473 -8.411 0.037) 11.251 12.287 ( 1.623 -4.147 -4.452) 6.297 12.419 ( 3.178 4.374 -3.858) 6.642 12.646 ( 3.638 -14.904 8.213) 17.402 12.734 ( 6.874 -1.008 5.568) 8.903 12.985 ( -1.926 10.055 1.438) 10.338 12.999 ( -4.350 -12.446 -4.519) 13.937 13.158 ( -7.157 -2.112 1.473) 7.606 13.256 ( -3.899 -2.714 -2.950) 5.592 13.427 ( 0.150 -5.589 -2.450) 6.104 13.583 ( -2.511 0.131 -6.237) 6.725 15.863 ( 3.520 -1.761 -1.357) 4.163 16.009 ( -0.878 -1.532 -7.258) 7.470 16.180 ( 2.183 -1.864 5.099) 5.851 16.342 ( -2.095 -3.234 1.094) 4.006 16.529 ( -0.137 -13.574 3.361) 13.985 16.584 ( -0.847 -7.658 4.743) 9.047 16.669 ( 3.330 -12.560 -2.291) 13.194 16.766 ( -0.011 -8.943 -2.129) 9.193======================= Grid point 102 (42/72) =======================q-point: ( 0.40 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( 4.205 9.841 0.102) 10.703 2.368 ( 2.667 8.879 -2.767) 9.674 2.451 ( -3.148 6.511 0.290) 7.238 2.477 ( -4.590 5.960 -2.043) 7.795 2.651 ( 4.935 1.299 3.238) 6.043 2.740 ( -2.636 1.784 1.074) 3.359 2.860 ( 5.370 4.710 -3.333) 7.882 2.969 ( -2.252 3.140 -6.348) 7.431 3.075 ( 2.122 9.865 1.196) 10.161 3.156 ( -4.477 10.571 -2.338) 11.715 3.262 ( 5.325 0.984 2.330) 5.895 3.351 ( -1.921 2.142 1.722) 3.353 3.543 ( 0.278 3.107 1.565) 3.490 3.617 ( -5.464 1.550 -0.933) 5.755 3.686 ( -1.982 -1.187 1.529) 2.771 3.732 ( -3.969 -4.201 5.994) 8.326 4.036 ( 2.059 -0.723 3.451) 4.083 4.088 ( -2.670 -3.211 1.613) 4.477 4.328 ( 6.370 5.255 -1.548) 8.402 4.415 ( 2.055 1.722 -3.393) 4.325 4.469 ( -0.479 2.862 1.843) 3.438 4.501 ( 0.792 2.225 -2.566) 3.487 4.689 ( -0.590 6.324 -2.577) 6.854 4.714 ( -4.762 13.490 -1.671) 14.403 4.872 ( 1.201 6.852 4.001) 8.025 4.926 ( -3.579 9.635 3.536) 10.869 5.077 ( 3.428 0.725 -1.960) 4.014 5.115 ( -0.040 5.298 -0.540) 5.326 5.242 ( 1.462 19.500 1.801) 19.637 5.289 ( -2.846 18.453 2.125) 18.792 5.400 ( 4.735 15.083 -3.788) 16.256 5.493 ( -3.739 14.552 -6.157) 16.237 5.775 ( 4.035 19.965 0.030) 20.368 5.839 ( -1.266 16.523 0.276) 16.574 5.903 ( 1.865 15.624 -3.020) 16.022 5.954 ( -2.345 14.856 -2.103) 15.186 6.129 ( 4.710 3.448 4.061) 7.111 6.211 ( -2.401 4.356 1.507) 5.198 6.292 ( 2.279 2.868 2.123) 4.233 6.364 ( -4.197 2.420 0.415) 4.862 7.958 ( 0.472 1.303 2.819) 3.142 7.964 ( 0.052 0.852 2.343) 2.494 8.179 ( 3.529 1.731 -1.369) 4.163 8.228 ( -0.542 0.654 -2.471) 2.613 8.618 ( 6.555 5.829 2.687) 9.174 8.770 ( -4.936 3.777 -2.554) 6.720 8.910 ( 4.338 1.200 0.818) 4.575 9.018 ( -3.277 0.629 -2.793) 4.351 9.646 ( 5.841 -1.939 4.532) 7.643 9.754 ( -3.953 -2.603 2.590) 5.396 9.888 ( 5.035 -1.423 -3.358) 6.217 9.954 ( 1.497 -4.811 -3.337) 6.044 9.999 ( 5.480 -3.835 2.782) 7.244 10.106 ( -3.007 -5.351 1.921) 6.432 10.431 ( 8.492 3.585 0.218) 9.220 10.566 ( -4.512 -5.167 -2.274) 7.227 10.616 ( 5.118 1.963 -0.504) 5.505 10.760 ( 1.459 -2.773 -3.655) 4.814 10.818 ( -11.610 5.668 -0.799) 12.944 10.967 ( -7.746 6.193 -7.721) 12.569 11.294 ( -2.868 7.237 9.018) 11.913 11.374 ( -10.486 4.847 4.824) 12.519 11.752 ( 1.788 0.324 -1.824) 2.575 11.779 ( -1.174 2.266 -2.185) 3.360 12.115 ( 7.739 -5.918 4.214) 10.614 12.248 ( -2.482 -5.547 3.558) 7.042 12.332 ( 5.896 -8.324 -3.301) 10.721 12.434 ( -2.096 -2.473 -1.699) 3.660 12.751 ( 5.646 -8.407 4.221) 10.971 12.855 ( -2.337 3.329 2.224) 4.635 12.886 ( 2.657 -1.685 1.904) 3.677 12.972 ( -1.022 6.018 2.221) 6.496 13.040 ( -2.384 -8.771 -0.211) 9.092 13.129 ( -7.598 -4.790 -1.920) 9.185 13.456 ( 2.551 -4.591 -5.103) 7.323 13.519 ( -3.469 -2.023 -6.172) 7.363 15.936 ( 3.242 -2.149 -3.458) 5.205 15.985 ( -1.664 -2.358 -5.169) 5.920 16.237 ( 3.179 -3.375 3.722) 5.946 16.296 ( -2.557 -4.576 2.231) 5.697 16.530 ( 0.440 -10.422 3.468) 10.993 16.553 ( -1.708 -8.046 4.083) 9.183 16.735 ( 2.535 -10.875 -2.040) 11.351 16.763 ( -0.468 -9.456 -1.874) 9.651======================= Grid point 105 (43/72) =======================q-point: ( 0.00 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.421 ( 0.000 8.985 -0.589) 9.005 2.440 ( 0.000 3.953 -0.694) 4.013 2.561 ( 0.000 1.355 1.838) 2.283 2.627 ( 0.000 8.012 -0.756) 8.048 2.678 ( 0.000 3.542 -0.771) 3.625 2.751 ( 0.000 0.277 -5.398) 5.405 2.926 ( 0.000 -2.136 -0.942) 2.335 2.970 ( 0.000 1.466 -1.761) 2.291 3.225 ( 0.000 5.082 9.450) 10.730 3.254 ( 0.000 7.171 -1.336) 7.294 3.373 ( 0.000 8.657 3.303) 9.266 3.440 ( 0.000 6.337 -5.345) 8.290 3.605 ( 0.000 -4.017 9.674) 10.475 3.778 ( 0.000 -0.325 -3.086) 3.103 3.803 ( 0.000 -2.542 -2.653) 3.674 3.803 ( 0.000 -3.614 -0.094) 3.616 3.934 ( 0.000 -4.977 -0.944) 5.066 3.985 ( 0.000 -6.326 -1.847) 6.590 4.108 ( 0.000 -4.171 2.984) 5.129 4.119 ( 0.000 -5.142 1.108) 5.260 4.542 ( 0.000 1.568 -2.813) 3.220 4.547 ( 0.000 -1.114 -1.059) 1.537 4.782 ( 0.000 -7.061 1.222) 7.165 4.881 ( 0.000 -1.407 -3.286) 3.575 4.950 ( 0.000 6.867 -0.397) 6.878 4.994 ( 0.000 6.604 -0.360) 6.614 5.272 ( 0.000 10.718 3.093) 11.156 5.361 ( 0.000 8.500 2.192) 8.778 5.533 ( 0.000 9.161 2.348) 9.457 5.566 ( 0.000 8.658 4.290) 9.663 5.690 ( 0.000 13.679 -0.640) 13.694 5.804 ( 0.000 9.462 -9.099) 13.128 5.901 ( 0.000 15.129 -0.916) 15.157 5.973 ( 0.000 12.398 -3.338) 12.840 6.198 ( 0.000 12.177 -1.932) 12.330 6.211 ( 0.000 9.510 4.493) 10.518 6.289 ( 0.000 -0.387 3.840) 3.860 6.300 ( 0.000 11.674 -2.763) 11.997 6.433 ( 0.000 10.102 0.773) 10.131 6.481 ( 0.000 1.382 0.388) 1.435 7.998 ( 0.000 4.461 1.503) 4.708 8.050 ( 0.000 6.381 3.862) 7.459 8.119 ( 0.000 1.828 -3.654) 4.085 8.244 ( 0.000 2.796 -2.732) 3.909 8.592 ( 0.000 3.412 2.659) 4.326 8.676 ( 0.000 3.583 -0.476) 3.614 8.929 ( 0.000 -4.198 0.076) 4.199 8.934 ( 0.000 -3.983 -0.250) 3.991 9.602 ( 0.000 1.280 0.901) 1.565 9.719 ( 0.000 -1.928 1.256) 2.301 9.748 ( 0.000 -6.800 -4.413) 8.106 9.793 ( 0.000 6.108 8.084) 10.132 9.847 ( 0.000 -5.299 -1.884) 5.624 10.104 ( 0.000 12.376 -4.688) 13.234 10.366 ( 0.000 6.780 2.118) 7.103 10.521 ( 0.000 -1.267 -6.656) 6.776 10.694 ( 0.000 1.427 5.035) 5.233 11.009 ( 0.000 -8.413 6.377) 10.557 11.126 ( 0.000 4.023 -11.873) 12.536 11.250 ( 0.000 -8.737 -4.717) 9.929 11.465 ( 0.000 -12.807 6.156) 14.209 11.548 ( 0.000 -2.684 2.967) 4.001 11.621 ( 0.000 4.574 12.723) 13.520 11.702 ( 0.000 -6.811 -2.067) 7.118 11.846 ( 0.000 -7.972 -5.327) 9.589 12.041 ( 0.000 5.439 -2.307) 5.908 12.186 ( 0.000 -14.218 11.526) 18.303 12.444 ( 0.000 4.456 -1.732) 4.781 12.481 ( 0.000 0.569 -2.176) 2.249 12.557 ( 0.000 -7.630 -3.650) 8.458 12.782 ( 0.000 -4.418 4.430) 6.257 13.130 ( 0.000 -3.541 -8.942) 9.618 13.248 ( 0.000 4.677 0.884) 4.760 13.281 ( 0.000 2.771 0.099) 2.773 13.417 ( 0.000 0.957 2.448) 2.628 13.594 ( 0.000 -2.511 -4.674) 5.305 15.823 ( 0.000 1.635 -0.750) 1.799 16.006 ( 0.000 -0.956 -8.471) 8.525 16.129 ( 0.000 -1.134 5.588) 5.702 16.275 ( 0.000 -10.433 0.811) 10.464 16.336 ( 0.000 -2.805 -1.056) 2.997 16.385 ( 0.000 -7.411 -1.812) 7.630 16.528 ( 0.000 -1.251 5.982) 6.111 16.649 ( 0.000 -3.756 0.171) 3.759======================= Grid point 106 (44/72) =======================q-point: ( 0.20 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.449 ( 2.244 7.182 -0.932) 7.582 2.460 ( 2.281 5.894 -1.085) 6.413 2.566 ( -0.163 0.762 1.036) 1.296 2.623 ( -0.286 7.088 -0.287) 7.099 2.668 ( -1.353 3.597 -0.539) 3.881 2.753 ( 0.917 0.415 -3.009) 3.173 2.915 ( -2.101 -0.253 -1.545) 2.620 2.961 ( 0.467 -1.485 -4.277) 4.552 3.206 ( -0.012 4.501 8.632) 9.735 3.272 ( 0.295 7.571 -0.052) 7.577 3.401 ( 0.489 7.984 2.700) 8.442 3.456 ( 2.427 6.697 -4.255) 8.298 3.582 ( -1.544 -0.592 6.812) 7.010 3.674 ( -4.843 -3.397 3.038) 6.650 3.754 ( -2.522 0.181 -2.313) 3.427 3.798 ( -5.924 -0.888 -0.492) 6.011 3.941 ( 1.988 -4.586 0.663) 5.042 4.025 ( -0.582 -5.806 1.127) 5.943 4.123 ( 5.588 -7.214 -2.624) 9.495 4.208 ( 6.180 -5.124 -1.627) 8.191 4.514 ( -1.369 0.422 -0.962) 1.726 4.570 ( 0.096 0.686 -0.720) 0.999 4.774 ( -0.789 -4.511 -2.246) 5.100 4.880 ( -0.476 -5.175 -4.344) 6.773 4.976 ( 2.782 8.310 1.845) 8.956 5.005 ( 1.316 6.806 -0.085) 6.933 5.234 ( -3.457 10.115 3.733) 11.322 5.296 ( -5.817 8.612 2.720) 10.742 5.543 ( -0.235 8.156 3.347) 8.819 5.566 ( 2.578 10.124 1.496) 10.553 5.671 ( -1.955 13.275 -0.408) 13.425 5.795 ( -1.468 10.044 -7.653) 12.712 5.961 ( 5.115 12.592 -1.834) 13.714 6.015 ( 3.382 11.530 -2.589) 12.292 6.203 ( 1.324 11.445 1.077) 11.571 6.229 ( 0.709 10.364 1.938) 10.568 6.282 ( -0.940 5.983 1.462) 6.230 6.307 ( 0.846 6.599 -0.636) 6.683 6.417 ( -1.393 9.431 0.711) 9.560 6.468 ( -1.186 3.044 0.297) 3.280 8.002 ( 0.228 3.852 1.430) 4.115 8.026 ( -1.367 5.029 2.372) 5.726 8.157 ( 2.727 1.637 -1.840) 3.674 8.249 ( 0.278 1.624 -2.812) 3.259 8.643 ( 4.843 6.211 2.931) 8.404 8.737 ( 5.876 3.510 -0.466) 6.860 8.951 ( 1.442 -1.257 -0.002) 1.913 8.984 ( 4.014 -2.575 -1.021) 4.877 9.617 ( 0.642 2.991 3.837) 4.907 9.733 ( 0.060 -3.715 0.961) 3.838 9.744 ( 1.532 -2.731 0.873) 3.250 9.816 ( 2.849 -2.232 -0.508) 3.655 9.900 ( 4.333 -5.681 -0.665) 7.176 10.008 ( -6.728 6.926 -2.823) 10.060 10.439 ( 3.678 6.904 0.082) 7.823 10.472 ( -4.624 -7.734 -2.655) 9.394 10.677 ( -1.412 4.122 1.907) 4.756 10.811 ( -10.976 -6.276 1.768) 12.767 11.135 ( -6.149 4.750 -5.242) 9.372 11.185 ( -1.714 2.538 -7.457) 8.061 11.483 ( -0.559 -5.149 7.484) 9.101 11.598 ( 1.696 2.467 5.603) 6.352 11.616 ( -4.100 -11.241 -0.356) 11.971 11.725 ( 8.153 -4.622 4.571) 10.427 11.837 ( -5.065 -5.173 -3.877) 8.213 11.989 ( 2.129 -2.583 -1.912) 3.855 12.140 ( -3.419 -12.396 9.230) 15.829 12.417 ( -5.247 -7.682 -0.697) 9.329 12.550 ( 8.217 3.734 -0.335) 9.032 12.681 ( 8.784 -3.988 -3.781) 10.361 12.831 ( 5.211 0.680 3.931) 6.562 13.122 ( -3.093 1.579 -5.066) 6.142 13.220 ( -3.067 3.237 -0.713) 4.515 13.232 ( -3.604 2.264 -0.791) 4.329 13.339 ( -5.322 -2.184 2.530) 6.284 13.555 ( -3.792 -2.967 -5.426) 7.254 15.857 ( 2.956 1.079 -1.830) 3.640 15.985 ( -1.510 -0.995 -6.270) 6.526 16.137 ( 0.245 -2.634 3.317) 4.243 16.234 ( -3.369 -7.808 -0.654) 8.528 16.338 ( 2.477 -4.419 1.699) 5.343 16.474 ( 5.424 -7.075 -2.314) 9.210 16.517 ( -1.028 -0.440 6.324) 6.422 16.648 ( -0.253 -3.883 0.055) 3.892======================= Grid point 107 (45/72) =======================q-point: ( 0.40 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( 2.276 6.002 -1.225) 6.535 2.523 ( 3.104 7.298 -2.398) 8.285 2.541 ( -1.517 3.231 0.387) 3.590 2.598 ( -3.152 5.896 -2.809) 7.252 2.667 ( 2.896 0.941 2.788) 4.129 2.744 ( -3.232 -0.571 1.209) 3.498 2.909 ( 2.654 -0.376 -4.170) 4.957 2.962 ( -1.315 -3.305 -5.497) 6.547 3.224 ( 1.147 3.540 5.438) 6.589 3.251 ( -1.726 5.131 2.772) 6.082 3.423 ( 2.805 9.977 1.235) 10.437 3.483 ( -1.139 8.125 -2.968) 8.725 3.577 ( 1.165 0.024 4.194) 4.353 3.620 ( -1.628 -3.846 7.014) 8.163 3.668 ( -2.898 4.179 -0.242) 5.092 3.704 ( -3.664 3.749 0.457) 5.262 3.971 ( 1.286 -5.058 0.933) 5.301 3.995 ( -1.331 -5.569 2.763) 6.358 4.263 ( 6.161 -9.460 -7.380) 13.488 4.309 ( 2.395 -8.659 -5.401) 10.483 4.494 ( 0.089 2.081 1.139) 2.374 4.537 ( -3.043 1.600 2.451) 4.222 4.776 ( 1.725 -1.801 -6.460) 6.925 4.839 ( -3.548 -2.957 -6.689) 8.128 5.044 ( 3.853 8.918 3.021) 10.174 5.069 ( 4.312 5.345 2.576) 7.335 5.147 ( -4.740 8.552 4.523) 10.773 5.176 ( -5.194 5.880 4.191) 8.895 5.564 ( 2.009 10.126 1.311) 10.406 5.605 ( -1.178 14.050 -0.255) 14.102 5.655 ( 2.883 8.270 -0.568) 8.777 5.736 ( -4.073 9.595 -4.164) 11.224 6.061 ( 3.791 10.290 -2.864) 11.334 6.077 ( 2.016 10.165 -2.720) 10.715 6.224 ( 0.171 11.056 0.029) 11.057 6.248 ( -1.610 10.511 -0.501) 10.645 6.258 ( 2.317 7.717 4.539) 9.248 6.308 ( -1.585 8.547 1.887) 8.895 6.405 ( 0.900 7.446 -0.347) 7.508 6.437 ( -1.803 5.622 -0.177) 5.907 8.003 ( 0.036 3.353 1.641) 3.733 8.009 ( -0.488 3.635 1.611) 4.006 8.210 ( 2.338 0.490 -1.204) 2.675 8.244 ( -0.956 -0.043 -1.976) 2.195 8.772 ( 7.333 9.365 1.877) 12.042 8.864 ( 2.666 5.578 -1.679) 6.406 8.955 ( 1.161 3.756 1.493) 4.205 9.028 ( -1.385 0.993 -1.301) 2.144 9.648 ( 3.463 1.871 4.546) 6.013 9.720 ( -1.834 -1.564 2.688) 3.610 9.823 ( 4.244 -5.764 -2.504) 7.583 9.865 ( 2.250 -2.086 -0.202) 3.075 9.901 ( -1.495 -4.888 0.376) 5.126 9.961 ( -2.159 -8.595 2.772) 9.285 10.354 ( -1.854 -13.480 -3.498) 14.049 10.425 ( -7.338 -7.704 -2.824) 11.008 10.656 ( 5.431 5.317 1.852) 7.823 10.764 ( -1.045 4.931 -2.451) 5.605 10.999 ( -1.884 10.993 -1.867) 11.308 11.110 ( -7.545 8.262 -7.978) 13.742 11.439 ( -0.915 5.476 6.887) 8.846 11.486 ( -5.271 3.087 5.194) 8.018 11.673 ( 3.739 -6.538 -3.074) 8.135 11.740 ( -3.491 -5.350 -5.066) 8.153 11.910 ( 8.666 -10.547 5.072) 14.562 12.053 ( -5.327 -12.691 5.609) 14.862 12.111 ( 7.825 -10.871 2.428) 13.613 12.278 ( -8.130 -12.449 0.691) 14.885 12.733 ( 9.681 3.855 1.597) 10.542 12.848 ( 6.120 0.910 -3.489) 7.103 12.970 ( 1.915 5.377 1.641) 5.939 12.983 ( -1.381 1.709 2.170) 3.088 13.088 ( -8.830 2.238 -0.162) 9.110 13.132 ( -6.473 4.873 0.690) 8.131 13.345 ( 4.612 -6.516 -4.318) 9.076 13.455 ( -5.721 -4.397 -5.909) 9.326 15.917 ( 2.623 0.244 -3.642) 4.495 15.957 ( -1.446 -0.467 -4.712) 4.950 16.142 ( 0.660 -5.795 1.347) 5.986 16.173 ( -2.450 -7.247 -0.171) 7.652 16.409 ( 3.901 -1.862 3.915) 5.832 16.477 ( -2.662 -0.624 4.838) 5.557 16.575 ( 3.966 -5.834 -0.975) 7.121 16.631 ( -1.682 -4.698 -0.468) 5.012======================= Grid point 110 (46/72) =======================q-point: ( 0.00 0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( 0.000 1.782 0.653) 1.898 2.511 ( 0.000 0.323 -0.380) 0.499 2.655 ( 0.000 7.901 1.560) 8.053 2.723 ( 0.000 1.200 -4.199) 4.367 2.751 ( 0.000 -0.094 -4.534) 4.535 2.786 ( 0.000 7.447 -1.739) 7.647 2.827 ( 0.000 -6.935 1.370) 7.069 2.917 ( 0.000 -5.361 -0.867) 5.431 3.358 ( 0.000 6.567 7.971) 10.328 3.384 ( 0.000 5.176 3.478) 6.236 3.506 ( 0.000 0.008 1.797) 1.797 3.518 ( 0.000 -2.669 6.738) 7.247 3.568 ( 0.000 7.967 0.833) 8.010 3.700 ( 0.000 -4.977 -4.642) 6.806 3.769 ( 0.000 -0.564 -5.405) 5.434 3.803 ( 0.000 1.149 -2.743) 2.974 3.822 ( 0.000 -4.753 -2.683) 5.458 3.872 ( 0.000 -4.770 -2.596) 5.431 4.041 ( 0.000 -2.044 3.160) 3.763 4.043 ( 0.000 -2.217 2.566) 3.391 4.549 ( 0.000 1.516 -0.542) 1.610 4.579 ( 0.000 0.820 -2.560) 2.688 4.679 ( 0.000 -1.285 0.663) 1.445 4.761 ( 0.000 -6.945 -3.590) 7.818 5.083 ( 0.000 3.918 0.765) 3.992 5.094 ( 0.000 2.663 0.340) 2.685 5.427 ( 0.000 5.014 3.223) 5.960 5.463 ( 0.000 1.599 2.518) 2.983 5.624 ( 0.000 2.324 3.254) 3.999 5.642 ( 0.000 0.697 3.226) 3.300 5.909 ( 0.000 7.108 -6.531) 9.653 5.944 ( 0.000 3.528 -8.105) 8.839 6.139 ( 0.000 7.086 1.663) 7.279 6.149 ( 0.000 4.835 -0.988) 4.935 6.280 ( 0.000 0.269 2.150) 2.167 6.303 ( 0.000 -0.077 3.551) 3.552 6.378 ( 0.000 5.599 -0.198) 5.603 6.415 ( 0.000 1.554 -1.165) 1.942 6.560 ( 0.000 4.265 -0.408) 4.285 6.572 ( 0.000 3.406 -0.476) 3.439 8.089 ( 0.000 4.175 0.105) 4.176 8.136 ( 0.000 -0.428 -1.709) 1.762 8.174 ( 0.000 5.662 1.444) 5.843 8.257 ( 0.000 -2.160 -1.631) 2.706 8.681 ( 0.000 5.303 0.844) 5.370 8.733 ( 0.000 1.530 -1.626) 2.232 8.847 ( 0.000 -4.006 1.060) 4.143 8.851 ( 0.000 -3.393 0.651) 3.454 9.597 ( 0.000 0.120 -0.997) 1.004 9.637 ( 0.000 -4.025 -2.459) 4.717 9.723 ( 0.000 1.553 0.568) 1.653 9.767 ( 0.000 -3.010 -0.675) 3.084 10.008 ( 0.000 14.275 9.421) 17.104 10.300 ( 0.000 -12.338 4.151) 13.018 10.425 ( 0.000 15.807 -1.868) 15.917 10.535 ( 0.000 9.956 2.337) 10.226 10.740 ( 0.000 -6.372 0.732) 6.414 10.839 ( 0.000 -21.874 -5.424) 22.536 10.923 ( 0.000 6.497 0.359) 6.507 11.122 ( 0.000 -10.192 -5.945) 11.799 11.434 ( 0.000 7.783 -1.257) 7.884 11.522 ( 0.000 1.316 -0.997) 1.651 11.597 ( 0.000 -5.270 -0.327) 5.280 11.615 ( 0.000 -8.686 0.652) 8.710 11.801 ( 0.000 5.952 6.779) 9.021 11.948 ( 0.000 -8.956 11.576) 14.636 12.151 ( 0.000 6.374 -2.403) 6.812 12.320 ( 0.000 -10.811 -3.363) 11.322 12.509 ( 0.000 1.117 -1.472) 1.847 12.512 ( 0.000 0.864 -0.987) 1.312 12.846 ( 0.000 6.845 0.798) 6.892 12.994 ( 0.000 -7.828 -4.582) 9.070 13.342 ( 0.000 2.789 0.607) 2.855 13.351 ( 0.000 3.097 0.400) 3.123 13.442 ( 0.000 2.116 0.248) 2.130 13.519 ( 0.000 -4.643 -2.500) 5.273 15.880 ( 0.000 3.977 -2.037) 4.468 15.963 ( 0.000 -3.759 -4.572) 5.919 16.114 ( 0.000 -0.247 2.193) 2.207 16.136 ( 0.000 -3.379 -0.708) 3.452 16.290 ( 0.000 -1.469 -1.291) 1.956 16.293 ( 0.000 -2.089 -2.163) 3.007 16.545 ( 0.000 2.078 5.272) 5.667 16.591 ( 0.000 -2.531 2.761) 3.745======================= Grid point 111 (47/72) =======================q-point: ( 0.20 0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( 2.074 1.888 0.948) 2.960 2.534 ( 2.093 -0.147 0.158) 2.105 2.647 ( -0.516 6.678 -0.375) 6.708 2.713 ( -1.438 0.530 -4.065) 4.345 2.758 ( 0.360 1.771 -1.969) 2.672 2.767 ( -1.333 6.268 -1.807) 6.658 2.839 ( 0.807 -5.789 -0.902) 5.914 2.891 ( -2.144 -5.364 -2.252) 6.200 3.324 ( -1.727 6.750 7.452) 10.202 3.391 ( -0.562 3.136 5.897) 6.703 3.485 ( -1.440 -0.745 3.646) 3.991 3.499 ( -2.823 -3.750 6.864) 8.316 3.594 ( 2.819 6.249 -0.678) 6.889 3.671 ( 0.344 -0.175 -3.525) 3.546 3.796 ( -0.195 2.600 -2.902) 3.901 3.803 ( 1.389 2.849 -1.564) 3.535 3.861 ( 2.527 -2.998 -0.743) 3.990 3.916 ( 2.674 -5.273 -4.973) 7.726 4.006 ( -1.125 -2.131 0.988) 2.604 4.077 ( 2.013 -7.078 -0.643) 7.387 4.552 ( 0.394 3.124 -0.574) 3.201 4.600 ( 1.106 1.664 -2.885) 3.510 4.666 ( -0.859 -3.185 0.050) 3.299 4.746 ( -1.278 -7.222 -3.427) 8.095 5.104 ( 2.165 3.654 1.416) 4.477 5.110 ( 1.735 2.940 0.992) 3.555 5.386 ( -4.311 4.821 3.368) 7.291 5.411 ( -5.231 2.452 2.761) 6.403 5.637 ( 1.364 2.260 2.883) 3.909 5.649 ( 2.567 0.968 2.704) 3.852 5.879 ( -3.037 6.970 -5.374) 9.310 5.929 ( -2.609 2.254 -6.777) 7.603 6.156 ( 2.717 6.010 0.723) 6.635 6.173 ( 2.069 4.134 0.659) 4.670 6.298 ( 0.645 1.110 0.471) 1.367 6.314 ( 0.642 0.435 1.689) 1.858 6.403 ( 2.135 5.540 0.163) 5.940 6.432 ( 2.005 2.651 -0.692) 3.395 6.550 ( -1.034 4.495 -0.244) 4.619 6.564 ( -0.791 3.233 -0.443) 3.358 8.089 ( -0.026 4.352 0.165) 4.355 8.124 ( -1.422 3.671 -0.670) 3.994 8.166 ( 0.122 0.218 0.660) 0.706 8.233 ( -1.803 -3.331 -1.391) 4.035 8.780 ( 8.554 7.042 1.114) 11.135 8.819 ( 7.598 4.177 -0.549) 8.687 8.914 ( 5.891 -2.830 0.111) 6.536 8.919 ( 6.443 -4.032 0.078) 7.601 9.605 ( 0.801 -0.716 -0.801) 1.340 9.646 ( 0.236 -4.410 -2.214) 4.940 9.746 ( 2.463 0.607 1.182) 2.799 9.783 ( 1.595 -2.878 0.564) 3.339 9.935 ( -6.081 11.307 7.636) 14.938 10.184 ( -9.558 -2.212 -0.049) 9.811 10.239 ( -12.257 0.428 3.466) 12.745 10.485 ( -14.633 -12.022 -0.773) 18.954 10.708 ( 7.879 12.381 0.694) 14.691 10.908 ( 3.339 8.087 -5.755) 10.472 11.040 ( 6.959 -12.878 -1.444) 14.709 11.139 ( 0.984 -7.667 -5.170) 9.300 11.440 ( 0.524 7.002 -0.614) 7.048 11.507 ( -1.903 0.650 -1.573) 2.553 11.602 ( 1.635 -6.700 0.872) 6.951 11.623 ( 0.187 -6.760 1.894) 7.023 11.802 ( 0.220 4.594 4.057) 6.133 11.929 ( -1.807 -7.771 11.431) 13.940 12.025 ( -8.132 5.634 -1.149) 9.960 12.202 ( -8.583 -11.431 -0.425) 14.301 12.617 ( 9.184 3.074 -0.738) 9.713 12.658 ( 9.615 -0.918 -2.257) 9.919 12.914 ( 6.321 6.234 0.153) 8.879 13.046 ( 4.640 -6.654 -4.891) 9.473 13.261 ( -6.921 2.932 2.013) 7.781 13.304 ( -6.368 -0.851 2.053) 6.745 13.363 ( -5.847 5.593 -1.380) 8.209 13.473 ( -4.490 -5.161 -3.602) 7.731 15.900 ( 1.811 3.041 -2.552) 4.363 15.958 ( -0.124 -2.236 -4.164) 4.728 16.090 ( -2.315 -1.457 0.864) 2.869 16.108 ( -2.606 -3.761 -1.111) 4.709 16.318 ( 4.144 1.275 0.177) 4.339 16.369 ( 5.190 -3.826 -1.255) 6.569 16.540 ( -0.668 2.138 4.972) 5.453 16.588 ( -0.570 -2.620 2.504) 3.669======================= Grid point 112 (48/72) =======================q-point: ( 0.40 0.47 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( 3.461 2.063 0.770) 4.102 2.583 ( 2.423 0.899 0.570) 2.647 2.635 ( -0.983 3.138 -0.518) 3.329 2.663 ( -3.394 0.372 -1.198) 3.619 2.736 ( -0.234 5.920 -2.313) 6.360 2.757 ( -1.428 3.404 -1.907) 4.155 2.851 ( 0.587 -4.764 -4.418) 6.524 2.862 ( -0.520 -6.300 -4.237) 7.610 3.313 ( 0.877 5.793 7.096) 9.202 3.355 ( -2.691 4.963 6.914) 8.926 3.445 ( -0.911 -6.145 6.022) 8.652 3.459 ( -1.736 -4.578 5.512) 7.372 3.653 ( 4.135 7.836 0.792) 8.895 3.743 ( -1.175 7.248 -0.498) 7.360 3.755 ( 2.775 1.594 0.266) 3.211 3.838 ( -0.587 6.756 -0.691) 6.817 3.884 ( 0.237 -3.163 0.412) 3.198 3.902 ( -1.617 2.427 -2.998) 4.182 4.057 ( 3.860 -10.841 -6.101) 13.025 4.101 ( -0.260 -11.639 -4.738) 12.569 4.564 ( 0.876 4.645 -0.872) 4.807 4.590 ( -1.604 4.525 -1.030) 4.910 4.674 ( 1.648 -6.307 -3.742) 7.517 4.714 ( -1.970 -7.360 -3.967) 8.590 5.169 ( 4.200 3.425 2.837) 6.118 5.172 ( 4.534 3.250 2.900) 6.288 5.275 ( -5.938 3.897 3.982) 8.143 5.284 ( -6.451 3.044 3.581) 7.982 5.699 ( 4.417 4.188 0.533) 6.110 5.734 ( 5.203 0.754 0.428) 5.275 5.796 ( -4.730 5.786 -2.290) 7.816 5.844 ( -5.253 1.138 -2.805) 6.062 6.220 ( 2.666 5.159 -0.049) 5.808 6.226 ( 2.478 4.728 -1.334) 5.502 6.292 ( -0.692 0.820 0.794) 1.335 6.306 ( -1.471 0.035 -0.215) 1.487 6.456 ( 2.874 6.501 0.282) 7.114 6.482 ( 1.970 4.516 -0.917) 5.012 6.521 ( -1.383 3.995 0.364) 4.243 6.539 ( -1.656 2.722 -0.407) 3.212 8.089 ( 0.054 4.945 0.443) 4.966 8.097 ( -0.901 5.209 0.454) 5.306 8.179 ( 0.890 -3.476 -0.278) 3.598 8.200 ( -1.342 -4.304 -0.788) 4.577 8.955 ( 7.248 8.125 0.569) 10.903 8.981 ( 6.452 5.609 -0.445) 8.561 9.027 ( 3.482 1.767 0.029) 3.905 9.045 ( 3.559 -0.710 -0.630) 3.684 9.641 ( 3.671 -1.921 1.856) 4.540 9.659 ( 2.614 -3.911 1.879) 5.066 9.768 ( -3.620 -3.271 4.872) 6.895 9.797 ( -5.527 -5.538 5.369) 9.489 9.841 ( 3.114 7.527 -0.773) 8.182 9.970 ( -9.961 8.899 -1.827) 13.481 10.071 ( -0.925 -14.012 -1.245) 14.097 10.198 ( -11.878 -13.144 -2.478) 17.888 10.857 ( 6.223 13.905 -1.165) 15.278 10.938 ( -1.269 11.816 -4.096) 12.570 11.131 ( 2.280 -5.459 -3.814) 7.039 11.154 ( 0.316 -8.094 -4.944) 9.490 11.449 ( 0.236 5.883 0.748) 5.935 11.463 ( -1.615 2.956 1.107) 3.546 11.629 ( 0.791 -5.731 1.013) 5.873 11.640 ( 0.719 -9.204 -0.270) 9.236 11.817 ( 1.589 3.739 1.961) 4.511 11.867 ( -3.462 -0.524 6.547) 7.424 11.946 ( 0.794 -6.383 3.406) 7.278 12.035 ( -7.272 -11.066 2.931) 13.562 12.818 ( 10.657 3.805 0.874) 11.350 12.863 ( 10.620 -0.566 -0.757) 10.662 13.036 ( -7.365 3.045 0.367) 7.978 13.055 ( -0.558 2.238 -1.132) 2.569 13.121 ( -3.945 2.333 1.787) 4.920 13.214 ( 5.373 -6.211 -2.213) 8.506 13.241 ( -6.750 5.560 -1.959) 8.962 13.354 ( -6.988 -5.675 -4.375) 10.009 15.944 ( 2.266 2.260 -3.036) 4.411 15.964 ( 0.391 0.873 -3.396) 3.528 16.042 ( -1.842 -3.769 -0.772) 4.265 16.049 ( -2.529 -4.489 -1.675) 5.418 16.420 ( 5.150 2.167 2.409) 6.085 16.473 ( 4.113 -2.452 0.387) 4.804 16.509 ( -2.042 1.010 3.823) 4.451 16.557 ( -2.649 -3.093 1.664) 4.399======================= Grid point 150 (49/72) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 0.000 0.000 -23.853) 23.853 1.143 ( 0.000 0.000 23.853) 23.853 1.192 ( 0.000 0.000 -24.023) 24.023 1.192 ( 0.000 0.000 24.023) 24.023 2.104 ( 0.000 0.000 -31.044) 31.044 2.104 ( 0.000 0.000 31.044) 31.044 2.150 ( 0.000 0.000 -4.998) 4.998 2.150 ( 0.000 0.000 4.998) 4.998 2.462 ( 0.000 0.000 -2.271) 2.271 2.462 ( 0.000 0.000 2.271) 2.271 2.477 ( 0.000 0.000 -9.512) 9.512 2.477 ( 0.000 0.000 9.512) 9.512 2.626 ( 0.000 0.000 -5.035) 5.035 2.626 ( 0.000 0.000 5.035) 5.035 2.674 ( 0.000 0.000 -3.280) 3.280 2.674 ( 0.000 0.000 3.280) 3.280 2.702 ( 0.000 0.000 -2.117) 2.117 2.702 ( 0.000 0.000 2.117) 2.117 2.781 ( 0.000 0.000 -3.539) 3.539 2.781 ( 0.000 0.000 3.539) 3.539 3.163 ( 0.000 0.000 -3.992) 3.992 3.163 ( 0.000 0.000 3.992) 3.992 3.809 ( 0.000 0.000 -7.707) 7.707 3.809 ( 0.000 0.000 7.707) 7.707 4.089 ( 0.000 0.000 -15.689) 15.689 4.089 ( 0.000 0.000 15.689) 15.689 4.553 ( 0.000 0.000 -11.204) 11.204 4.553 ( 0.000 0.000 11.204) 11.204 4.863 ( 0.000 0.000 -13.775) 13.775 4.863 ( 0.000 0.000 13.775) 13.775 5.267 ( 0.000 0.000 -8.482) 8.482 5.267 ( 0.000 0.000 8.482) 8.482 5.602 ( 0.000 0.000 -2.482) 2.482 5.602 ( 0.000 0.000 2.482) 2.482 5.767 ( 0.000 0.000 -2.027) 2.027 5.767 ( 0.000 0.000 2.027) 2.027 5.942 ( 0.000 0.000 -6.901) 6.901 5.942 ( 0.000 0.000 6.901) 6.901 6.938 ( 0.000 0.000 -6.254) 6.254 6.938 ( 0.000 0.000 6.254) 6.254 7.797 ( 0.000 0.000 -8.062) 8.062 7.797 ( 0.000 0.000 8.062) 8.062 8.120 ( 0.000 0.000 -7.027) 7.027 8.120 ( 0.000 0.000 7.027) 7.027 8.293 ( 0.000 0.000 -8.991) 8.991 8.293 ( 0.000 0.000 8.991) 8.991 8.490 ( 0.000 0.000 -0.152) 0.152 8.490 ( 0.000 0.000 0.152) 0.152 8.792 ( 0.000 0.000 -4.444) 4.444 8.792 ( 0.000 0.000 4.444) 4.444 9.334 ( 0.000 0.000 -3.089) 3.089 9.334 ( 0.000 0.000 3.089) 3.089 9.650 ( 0.000 0.000 -9.348) 9.348 9.650 ( 0.000 0.000 9.348) 9.348 10.334 ( 0.000 0.000 -1.562) 1.562 10.334 ( 0.000 0.000 1.562) 1.562 10.487 ( 0.000 0.000 -14.302) 14.302 10.487 ( 0.000 0.000 14.302) 14.302 10.974 ( 0.000 0.000 -10.261) 10.261 10.974 ( 0.000 0.000 10.261) 10.261 11.069 ( 0.000 0.000 -1.134) 1.134 11.069 ( 0.000 0.000 1.134) 1.134 11.342 ( 0.000 0.000 -0.366) 0.366 11.342 ( 0.000 0.000 0.366) 0.366 12.626 ( 0.000 0.000 -9.563) 9.563 12.626 ( 0.000 0.000 9.563) 9.563 12.817 ( 0.000 0.000 -0.607) 0.607 12.817 ( 0.000 0.000 0.607) 0.607 12.836 ( 0.000 0.000 -0.427) 0.427 12.836 ( 0.000 0.000 0.427) 0.427 12.930 ( 0.000 0.000 -4.904) 4.904 12.930 ( 0.000 0.000 4.904) 4.904 13.901 ( 0.000 0.000 -2.748) 2.748 13.901 ( 0.000 0.000 2.748) 2.748 14.146 ( 0.000 0.000 -4.117) 4.117 14.146 ( 0.000 0.000 4.117) 4.117 15.805 ( 0.000 0.000 -2.089) 2.089 15.805 ( 0.000 0.000 2.089) 2.089 16.354 ( 0.000 0.000 -0.354) 0.354 16.354 ( 0.000 0.000 0.354) 0.354 17.782 ( 0.000 0.000 -6.718) 6.718 17.782 ( 0.000 0.000 6.718) 6.718 18.348 ( 0.000 0.000 -3.441) 3.441 18.348 ( 0.000 0.000 3.441) 3.441======================= Grid point 152 (50/72) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( 9.313 0.000 -21.123) 23.085 1.291 ( 9.313 0.000 21.123) 23.085 1.301 ( 14.232 0.000 -20.107) 24.634 1.301 ( 14.232 0.000 20.107) 24.634 2.052 ( -9.128 0.000 -6.192) 11.030 2.052 ( -9.128 0.000 6.192) 11.030 2.190 ( 7.372 0.000 -23.184) 24.328 2.190 ( 7.372 0.000 23.184) 24.328 2.368 ( -10.164 0.000 -12.328) 15.978 2.368 ( -10.164 0.000 12.328) 15.978 2.467 ( 0.522 0.000 -1.210) 1.317 2.467 ( 0.522 0.000 1.210) 1.317 2.578 ( -2.382 0.000 -1.110) 2.628 2.578 ( -2.382 0.000 1.110) 2.628 2.791 ( 5.783 0.000 -3.850) 6.947 2.791 ( 5.783 0.000 3.850) 6.947 2.799 ( 4.127 0.000 -5.063) 6.533 2.799 ( 4.127 0.000 5.063) 6.533 2.834 ( 13.207 0.000 -8.207) 15.550 2.834 ( 13.207 0.000 8.207) 15.550 3.147 ( -1.504 0.000 -3.675) 3.971 3.147 ( -1.504 0.000 3.675) 3.971 3.749 ( -5.478 0.000 -10.735) 12.052 3.749 ( -5.478 0.000 10.735) 12.052 4.057 ( -5.946 0.000 -14.736) 15.890 4.057 ( -5.946 0.000 14.736) 15.890 4.356 ( -12.263 0.000 -14.807) 19.225 4.356 ( -12.263 0.000 14.807) 19.225 4.957 ( 3.301 0.000 -4.569) 5.636 4.957 ( 3.301 0.000 4.569) 5.636 5.212 ( -3.911 0.000 -7.882) 8.799 5.212 ( -3.911 0.000 7.882) 8.799 5.600 ( 0.070 0.000 -3.100) 3.100 5.600 ( 0.070 0.000 3.100) 3.100 5.831 ( 6.265 0.000 -1.079) 6.357 5.831 ( 6.265 0.000 1.079) 6.357 6.020 ( 6.873 0.000 -8.475) 10.912 6.020 ( 6.873 0.000 8.475) 10.912 6.883 ( -5.256 0.000 -6.971) 8.731 6.883 ( -5.256 0.000 6.971) 8.731 7.794 ( -0.276 0.000 -6.811) 6.816 7.794 ( -0.276 0.000 6.811) 6.816 8.091 ( -2.313 0.000 -5.822) 6.265 8.091 ( -2.313 0.000 5.822) 6.265 8.329 ( 0.795 0.000 -3.213) 3.310 8.329 ( 0.795 0.000 3.213) 3.310 8.503 ( 2.746 0.000 -3.658) 4.574 8.503 ( 2.746 0.000 3.658) 4.574 8.864 ( 6.512 0.000 -4.204) 7.752 8.864 ( 6.512 0.000 4.204) 7.752 9.294 ( -3.919 0.000 -3.253) 5.093 9.294 ( -3.919 0.000 3.253) 5.093 9.772 ( 11.244 0.000 -6.877) 13.180 9.772 ( 11.244 0.000 6.877) 13.180 10.332 ( -0.157 0.000 -1.257) 1.267 10.332 ( -0.157 0.000 1.257) 1.267 10.396 ( -6.507 0.000 -8.132) 10.415 10.396 ( -6.507 0.000 8.132) 10.415 11.071 ( 0.147 0.000 -0.916) 0.928 11.071 ( 0.147 0.000 0.916) 0.928 11.132 ( 11.604 0.000 -4.865) 12.582 11.132 ( 11.604 0.000 4.865) 12.582 11.341 ( 0.387 0.000 -1.047) 1.116 11.341 ( 0.387 0.000 1.047) 1.116 12.523 ( -14.192 0.000 -9.074) 16.845 12.523 ( -14.192 0.000 9.074) 16.845 12.790 ( -6.618 0.000 -2.116) 6.948 12.790 ( -6.618 0.000 2.116) 6.948 12.817 ( 0.065 0.000 -0.534) 0.537 12.817 ( 0.065 0.000 0.534) 0.537 12.835 ( -0.087 0.000 -0.388) 0.397 12.835 ( -0.087 0.000 0.388) 0.397 13.862 ( -3.069 0.000 -2.240) 3.800 13.862 ( -3.069 0.000 2.240) 3.800 14.158 ( 0.904 0.000 -3.493) 3.608 14.158 ( 0.904 0.000 3.493) 3.608 15.907 ( 8.374 0.000 -2.986) 8.891 15.907 ( 8.374 0.000 2.986) 8.891 16.399 ( 3.434 0.000 -2.547) 4.275 16.399 ( 3.434 0.000 2.547) 4.275 17.776 ( -0.687 0.000 -6.426) 6.463 17.776 ( -0.687 0.000 6.426) 6.463 18.229 ( -9.445 0.000 -1.426) 9.552 18.229 ( -9.445 0.000 1.426) 9.552======================= Grid point 154 (51/72) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( 13.490 0.000 -15.090) 20.241 1.530 ( 13.490 0.000 15.090) 20.241 1.640 ( 18.007 0.000 -14.374) 23.041 1.640 ( 18.007 0.000 14.374) 23.041 1.818 ( -13.236 0.000 -9.714) 16.418 1.818 ( -13.236 0.000 9.714) 16.418 2.026 ( -17.333 0.000 -12.152) 21.168 2.026 ( -17.333 0.000 12.152) 21.168 2.435 ( 8.786 0.000 -18.006) 20.035 2.435 ( 8.786 0.000 18.006) 20.035 2.480 ( 0.531 0.000 -1.857) 1.931 2.480 ( 0.531 0.000 1.857) 1.931 2.544 ( -0.951 0.000 -1.095) 1.450 2.544 ( -0.951 0.000 1.095) 1.450 2.887 ( 3.121 0.000 -2.041) 3.729 2.887 ( 3.121 0.000 2.041) 3.729 2.913 ( 5.035 0.000 -7.145) 8.741 2.913 ( 5.035 0.000 7.145) 8.741 3.090 ( 8.876 0.000 -9.173) 12.764 3.090 ( 8.876 0.000 9.173) 12.764 3.112 ( -1.471 0.000 -1.992) 2.476 3.112 ( -1.471 0.000 1.992) 2.476 3.603 ( -7.314 0.000 -7.266) 10.310 3.603 ( -7.314 0.000 7.266) 10.310 3.888 ( -6.153 0.000 -9.754) 11.533 3.888 ( -6.153 0.000 9.754) 11.533 4.166 ( -6.439 0.000 -7.274) 9.714 4.166 ( -6.439 0.000 7.274) 9.714 4.964 ( -0.876 0.000 -2.775) 2.909 4.964 ( -0.876 0.000 2.775) 2.909 5.156 ( -1.342 0.000 -2.347) 2.704 5.156 ( -1.342 0.000 2.347) 2.704 5.622 ( 1.262 0.000 -1.570) 2.015 5.622 ( 1.262 0.000 1.570) 2.015 5.927 ( 2.256 0.000 -1.423) 2.667 5.927 ( 2.256 0.000 1.423) 2.667 6.188 ( 7.486 0.000 -5.488) 9.282 6.188 ( 7.486 0.000 5.488) 9.282 6.760 ( -5.319 0.000 -5.083) 7.357 6.760 ( -5.319 0.000 5.083) 7.357 7.788 ( -0.196 0.000 -2.782) 2.789 7.788 ( -0.196 0.000 2.782) 2.789 8.052 ( -1.167 0.000 -2.350) 2.624 8.052 ( -1.167 0.000 2.350) 2.624 8.299 ( -1.890 0.000 -2.320) 2.992 8.299 ( -1.890 0.000 2.320) 2.992 8.584 ( 3.144 0.000 -2.468) 3.997 8.584 ( 3.144 0.000 2.468) 3.997 9.020 ( 8.353 0.000 -3.877) 9.209 9.020 ( 8.353 0.000 3.877) 9.209 9.182 ( -6.989 0.000 -3.566) 7.846 9.182 ( -6.989 0.000 3.566) 7.846 10.027 ( 11.405 0.000 -0.889) 11.440 10.027 ( 11.405 0.000 0.889) 11.440 10.271 ( -5.866 0.000 -3.064) 6.618 10.271 ( -5.866 0.000 3.064) 6.618 10.329 ( -0.094 0.000 -0.476) 0.485 10.329 ( -0.094 0.000 0.476) 0.485 11.074 ( 0.090 0.000 -0.349) 0.360 11.074 ( 0.090 0.000 0.349) 0.360 11.227 ( -1.372 0.000 -6.371) 6.517 11.227 ( -1.372 0.000 6.371) 6.517 11.474 ( 10.655 0.000 -3.546) 11.230 11.474 ( 10.655 0.000 3.546) 11.230 12.145 ( -16.411 0.000 -2.421) 16.588 12.145 ( -16.411 0.000 2.421) 16.588 12.751 ( 0.114 0.000 -0.999) 1.005 12.751 ( 0.114 0.000 0.999) 1.005 12.819 ( 0.050 0.000 -0.243) 0.248 12.819 ( 0.050 0.000 0.243) 0.248 12.833 ( -0.063 0.000 -0.187) 0.198 12.833 ( -0.063 0.000 0.187) 0.198 13.809 ( -1.589 0.000 -0.776) 1.768 13.809 ( -1.589 0.000 0.776) 1.768 14.173 ( 0.439 0.000 -1.287) 1.360 14.173 ( 0.439 0.000 1.287) 1.360 16.061 ( 5.192 0.000 -1.940) 5.543 16.061 ( 5.192 0.000 1.940) 5.543 16.448 ( 0.975 0.000 -1.778) 2.028 16.448 ( 0.975 0.000 1.778) 2.028 17.755 ( -0.968 0.000 -3.258) 3.399 17.755 ( -0.968 0.000 3.258) 3.399 18.074 ( -4.370 0.000 -1.768) 4.714 18.074 ( -4.370 0.000 1.768) 4.714======================= Grid point 160 (52/72) =======================q-point: ( 0.00 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 0.000 8.987 -19.167) 21.169 1.237 ( 0.000 8.987 19.167) 21.169 1.370 ( 0.000 15.177 -20.615) 25.599 1.370 ( 0.000 15.177 20.615) 25.599 2.263 ( 0.000 17.533 -13.371) 22.049 2.263 ( 0.000 17.533 13.371) 22.049 2.314 ( 0.000 8.685 -9.034) 12.532 2.314 ( 0.000 8.685 9.034) 12.532 2.511 ( 0.000 10.751 -3.166) 11.208 2.511 ( 0.000 10.751 3.166) 11.208 2.588 ( 0.000 8.993 -2.665) 9.380 2.588 ( 0.000 8.993 2.665) 9.380 2.660 ( 0.000 2.165 -6.344) 6.703 2.660 ( 0.000 2.165 6.344) 6.703 2.787 ( 0.000 9.889 -5.851) 11.490 2.787 ( 0.000 9.889 5.851) 11.490 2.840 ( 0.000 13.424 -1.524) 13.511 2.840 ( 0.000 13.424 1.524) 13.511 2.910 ( 0.000 16.917 -2.646) 17.122 2.910 ( 0.000 16.917 2.646) 17.122 3.341 ( 0.000 16.845 -4.172) 17.354 3.341 ( 0.000 16.845 4.172) 17.354 3.810 ( 0.000 0.578 -7.822) 7.843 3.810 ( 0.000 0.578 7.822) 7.843 4.082 ( 0.000 -0.519 -15.162) 15.171 4.082 ( 0.000 -0.519 15.162) 15.171 4.536 ( 0.000 -1.422 -12.326) 12.407 4.536 ( 0.000 -1.422 12.326) 12.407 4.853 ( 0.000 -0.949 -13.008) 13.043 4.853 ( 0.000 -0.949 13.008) 13.043 5.222 ( 0.000 -4.074 -5.738) 7.037 5.222 ( 0.000 -4.074 5.738) 7.037 5.588 ( 0.000 -1.445 -2.998) 3.328 5.588 ( 0.000 -1.445 2.998) 3.328 5.754 ( 0.000 -0.710 -1.036) 1.256 5.754 ( 0.000 -0.710 1.036) 1.256 5.918 ( 0.000 -2.005 -5.656) 6.001 5.918 ( 0.000 -2.005 5.656) 6.001 6.808 ( 0.000 -10.437 -5.334) 11.721 6.808 ( 0.000 -10.437 5.334) 11.721 7.941 ( 0.000 10.794 -3.111) 11.233 7.941 ( 0.000 10.794 3.111) 11.233 8.205 ( 0.000 -1.426 -6.059) 6.224 8.205 ( 0.000 -1.426 6.059) 6.224 8.342 ( 0.000 12.770 -8.238) 15.197 8.342 ( 0.000 12.770 8.238) 15.197 8.458 ( 0.000 -2.143 -0.247) 2.157 8.458 ( 0.000 -2.143 0.247) 2.157 8.982 ( 0.000 17.213 -3.937) 17.658 8.982 ( 0.000 17.213 3.937) 17.658 9.458 ( 0.000 11.828 -2.822) 12.160 9.458 ( 0.000 11.828 2.822) 12.160 9.675 ( 0.000 2.691 -10.688) 11.021 9.675 ( 0.000 2.691 10.688) 11.021 10.259 ( 0.000 -5.436 -5.804) 7.952 10.259 ( 0.000 -5.436 5.804) 7.952 10.568 ( 0.000 5.025 -9.849) 11.056 10.568 ( 0.000 5.025 9.849) 11.056 10.903 ( 0.000 -3.618 -5.773) 6.813 10.903 ( 0.000 -3.618 5.773) 6.813 11.047 ( 0.000 -1.714 -0.292) 1.739 11.047 ( 0.000 -1.714 0.292) 1.739 11.480 ( 0.000 9.945 -2.818) 10.337 11.480 ( 0.000 9.945 2.818) 10.337 12.547 ( 0.000 -18.956 -0.274) 18.958 12.547 ( 0.000 -18.956 0.274) 18.958 12.635 ( 0.000 0.297 -9.956) 9.960 12.635 ( 0.000 0.297 9.956) 9.960 12.798 ( 0.000 -2.620 -0.802) 2.740 12.798 ( 0.000 -2.620 0.802) 2.740 13.062 ( 0.000 7.536 -4.637) 8.849 13.062 ( 0.000 7.536 4.637) 8.849 13.891 ( 0.000 -1.761 -1.216) 2.140 13.891 ( 0.000 -1.761 1.216) 2.140 14.070 ( 0.000 -7.574 -3.468) 8.330 14.070 ( 0.000 -7.574 3.468) 8.330 15.906 ( 0.000 7.490 -0.540) 7.509 15.906 ( 0.000 7.490 0.540) 7.509 16.344 ( 0.000 -0.786 -0.865) 1.169 16.344 ( 0.000 -0.786 0.865) 1.169 17.697 ( 0.000 -8.465 -6.030) 10.393 17.697 ( 0.000 -8.465 6.030) 10.393 18.187 ( 0.000 -15.058 -0.368) 15.063 18.187 ( 0.000 -15.058 0.368) 15.063======================= Grid point 162 (53/72) =======================q-point: ( 0.20 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 11.242 7.571 -19.219) 23.518 1.357 ( 11.242 7.571 19.219) 23.518 1.476 ( 9.909 13.729 -20.449) 26.548 1.476 ( 9.909 13.729 20.449) 26.548 2.197 ( -8.880 11.326 -3.763) 14.876 2.197 ( -8.880 11.326 3.763) 14.876 2.306 ( -1.773 9.330 -10.961) 14.503 2.306 ( -1.773 9.330 10.961) 14.503 2.414 ( -3.595 11.015 -19.914) 23.039 2.414 ( -3.595 11.015 19.914) 23.039 2.629 ( 1.753 12.653 -4.423) 13.518 2.629 ( 1.753 12.653 4.423) 13.518 2.726 ( -1.330 11.732 -0.879) 11.840 2.726 ( -1.330 11.732 0.879) 11.840 2.837 ( 12.364 4.828 -3.447) 13.713 2.837 ( 12.364 4.828 3.447) 13.713 2.884 ( 5.294 11.351 -9.309) 15.605 2.884 ( 5.294 11.351 9.309) 15.605 2.979 ( 4.887 15.818 -4.098) 17.055 2.979 ( 4.887 15.818 4.098) 17.055 3.327 ( -1.259 16.893 -3.715) 17.342 3.327 ( -1.259 16.893 3.715) 17.342 3.751 ( -5.258 0.517 -10.469) 11.727 3.751 ( -5.258 0.517 10.469) 11.727 4.053 ( -5.326 0.059 -13.885) 14.871 4.053 ( -5.326 0.059 13.885) 14.871 4.346 ( -12.295 -0.844 -14.345) 18.911 4.346 ( -12.295 -0.844 14.345) 18.911 4.943 ( 3.348 -1.377 -4.753) 5.974 4.943 ( 3.348 -1.377 4.753) 5.974 5.177 ( -3.523 -3.055 -6.922) 8.346 5.177 ( -3.523 -3.055 6.922) 8.346 5.559 ( -0.456 -3.774 -2.385) 4.487 5.559 ( -0.456 -3.774 2.385) 4.487 5.819 ( 4.569 -1.129 -2.305) 5.241 5.819 ( 4.569 -1.129 2.305) 5.241 5.999 ( 7.397 -1.589 -7.426) 10.601 5.999 ( 7.397 -1.589 7.426) 10.601 6.766 ( -4.073 -9.511 -7.235) 12.625 6.766 ( -4.073 -9.511 7.235) 12.625 7.947 ( 0.782 11.389 -2.738) 11.739 7.947 ( 0.782 11.389 2.738) 11.739 8.197 ( -2.957 5.024 -1.160) 5.944 8.197 ( -2.957 5.024 1.160) 5.944 8.332 ( 1.293 3.152 -3.010) 4.547 8.332 ( 1.293 3.152 3.010) 4.547 8.513 ( 3.724 2.481 -4.701) 6.491 8.513 ( 3.724 2.481 4.701) 6.491 9.027 ( 4.456 15.534 -3.860) 16.615 9.027 ( 4.456 15.534 3.860) 16.615 9.414 ( -4.170 11.252 -2.833) 12.329 9.414 ( -4.170 11.252 2.833) 12.329 9.782 ( 10.018 1.466 -7.137) 12.387 9.782 ( 10.018 1.466 7.137) 12.387 10.262 ( -0.188 -4.029 -5.015) 6.436 10.262 ( -0.188 -4.029 5.015) 6.436 10.472 ( -5.723 4.171 -3.945) 8.106 10.472 ( -5.723 4.171 3.945) 8.106 10.980 ( 1.898 -4.949 -1.258) 5.448 10.980 ( 1.898 -4.949 1.258) 5.448 11.142 ( 10.831 -0.346 -3.459) 11.375 11.142 ( 10.831 -0.346 3.459) 11.375 11.443 ( -3.157 7.451 -2.218) 8.391 11.443 ( -3.157 7.451 2.218) 8.391 12.484 ( -10.126 -13.228 -2.555) 16.854 12.484 ( -10.126 -13.228 2.555) 16.854 12.533 ( -7.756 -5.127 -8.553) 12.633 12.533 ( -7.756 -5.127 8.553) 12.633 12.795 ( 0.442 -2.552 -2.302) 3.465 12.795 ( 0.442 -2.552 2.302) 3.465 13.008 ( -1.715 9.147 -1.559) 9.436 13.008 ( -1.715 9.147 1.559) 9.436 13.846 ( -3.069 -2.471 -1.970) 4.405 13.846 ( -3.069 -2.471 1.970) 4.405 14.109 ( 2.404 -5.276 -2.891) 6.479 14.109 ( 2.404 -5.276 2.891) 6.479 15.971 ( 5.747 4.913 -2.604) 7.997 15.971 ( 5.747 4.913 2.604) 7.997 16.390 ( 3.542 -0.749 -2.779) 4.564 16.390 ( 3.542 -0.749 2.779) 4.564 17.689 ( -0.883 -8.638 -5.738) 10.408 17.689 ( -0.883 -8.638 5.738) 10.408 18.096 ( -7.307 -12.737 -1.799) 14.794 18.096 ( -7.307 -12.737 1.799) 14.794======================= Grid point 164 (54/72) =======================q-point: ( 0.40 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 14.796 7.613 -10.813) 19.844 1.634 ( 14.796 7.613 10.813) 19.844 1.728 ( 13.451 9.097 -13.948) 21.407 1.728 ( 13.451 9.097 13.948) 21.407 1.968 ( -12.181 11.682 -5.242) 17.673 1.968 ( -12.181 11.682 5.242) 17.673 2.079 ( -15.144 6.703 -8.319) 18.533 2.079 ( -15.144 6.703 8.319) 18.533 2.489 ( 4.182 11.285 -7.052) 13.949 2.489 ( 4.182 11.285 7.052) 13.949 2.660 ( 1.105 12.280 -2.309) 12.544 2.660 ( 1.105 12.280 2.309) 12.544 2.713 ( 0.627 15.866 -2.079) 16.014 2.713 ( 0.627 15.866 2.079) 16.014 3.002 ( 4.029 11.140 -3.738) 12.422 3.002 ( 4.029 11.140 3.738) 12.422 3.064 ( 6.067 13.827 -3.309) 15.458 3.064 ( 6.067 13.827 3.309) 15.458 3.100 ( 6.831 4.850 -9.841) 12.924 3.100 ( 6.831 4.850 9.841) 12.924 3.307 ( 0.148 17.148 -2.369) 17.311 3.307 ( 0.148 17.148 2.369) 17.311 3.615 ( -6.997 1.777 -7.230) 10.217 3.615 ( -6.997 1.777 7.230) 10.217 3.890 ( -6.486 0.910 -9.086) 11.201 3.890 ( -6.486 0.910 9.086) 11.201 4.154 ( -6.347 -1.023 -7.336) 9.754 4.154 ( -6.347 -1.023 7.336) 9.754 4.955 ( -0.598 -0.896 -2.487) 2.710 4.955 ( -0.598 -0.896 2.487) 2.710 5.121 ( -1.526 -3.072 -2.034) 3.988 5.121 ( -1.526 -3.072 2.034) 3.988 5.583 ( 1.506 -3.856 -1.945) 4.573 5.583 ( 1.506 -3.856 1.945) 4.573 5.882 ( 1.446 -4.074 -1.326) 4.522 5.882 ( 1.446 -4.074 1.326) 4.522 6.170 ( 7.214 -1.287 -4.811) 8.766 6.170 ( 7.214 -1.287 4.811) 8.766 6.664 ( -4.671 -8.000 -5.311) 10.678 6.664 ( -4.671 -8.000 5.311) 10.678 7.982 ( 2.527 14.569 -1.238) 14.839 7.982 ( 2.527 14.569 1.238) 14.839 8.105 ( -4.600 3.979 -0.616) 6.113 8.105 ( -4.600 3.979 0.616) 6.113 8.359 ( 0.523 6.260 -1.931) 6.572 8.359 ( 0.523 6.260 1.931) 6.572 8.579 ( 2.276 0.240 -2.715) 3.551 8.579 ( 2.276 0.240 2.715) 3.551 9.150 ( 7.289 12.743 -3.374) 15.063 9.150 ( 7.289 12.743 3.374) 15.063 9.300 ( -6.874 11.388 -2.831) 13.600 9.300 ( -6.874 11.388 2.831) 13.600 10.015 ( 10.917 -0.770 -0.982) 10.988 10.015 ( 10.917 -0.770 0.982) 10.988 10.211 ( -5.320 -2.727 -1.817) 6.249 10.211 ( -5.320 -2.727 1.817) 6.249 10.423 ( 0.590 5.747 -0.410) 5.792 10.423 ( 0.590 5.747 0.410) 5.792 10.987 ( -0.233 -6.040 -1.054) 6.136 10.987 ( -0.233 -6.040 1.054) 6.136 11.268 ( -1.694 1.984 -5.149) 5.772 11.268 ( -1.694 1.984 5.149) 5.772 11.490 ( 9.580 1.330 -3.049) 10.140 11.490 ( 9.580 1.330 3.049) 10.140 12.135 ( -15.921 -1.009 -2.498) 16.147 12.135 ( -15.921 -1.009 2.498) 16.147 12.466 ( -1.490 -16.100 -1.314) 16.222 12.466 ( -1.490 -16.100 1.314) 16.222 12.811 ( 0.604 -1.579 -0.981) 1.954 12.811 ( 0.604 -1.579 0.981) 1.954 13.014 ( 0.927 9.132 -0.740) 9.209 13.014 ( 0.927 9.132 0.740) 9.209 13.797 ( -1.458 -2.128 -0.848) 2.715 13.797 ( -1.458 -2.128 0.848) 2.715 14.141 ( 0.733 -3.985 -1.128) 4.206 14.141 ( 0.733 -3.985 1.128) 4.206 16.086 ( 4.073 1.867 -1.623) 4.765 16.086 ( 4.073 1.867 1.623) 4.765 16.442 ( 1.153 -0.567 -1.815) 2.224 16.442 ( 1.153 -0.567 1.815) 2.224 17.664 ( -1.152 -9.055 -2.817) 9.553 17.664 ( -1.152 -9.055 2.817) 9.553 17.975 ( -3.406 -9.767 -1.519) 10.454 17.975 ( -3.406 -9.767 1.519) 10.454======================= Grid point 170 (55/72) =======================q-point: ( 0.00 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 0.000 13.361 -9.615) 16.461 1.464 ( 0.000 13.361 9.615) 16.461 1.707 ( 0.000 18.438 -12.378) 22.207 1.707 ( 0.000 18.438 12.378) 22.207 2.408 ( 0.000 4.381 -8.126) 9.232 2.408 ( 0.000 4.381 8.126) 9.232 2.596 ( 0.000 6.199 -0.778) 6.247 2.596 ( 0.000 6.199 0.778) 6.247 2.644 ( 0.000 2.170 -0.314) 2.192 2.644 ( 0.000 2.170 0.314) 2.192 2.859 ( 0.000 24.180 -0.369) 24.183 2.859 ( 0.000 24.180 0.369) 24.183 2.971 ( 0.000 27.358 -15.615) 31.501 2.971 ( 0.000 27.358 15.615) 31.501 3.109 ( 0.000 21.910 -2.131) 22.013 3.109 ( 0.000 21.910 2.131) 22.013 3.261 ( 0.000 25.111 -0.021) 25.111 3.261 ( 0.000 25.111 0.021) 25.111 3.307 ( 0.000 22.303 -1.466) 22.351 3.307 ( 0.000 22.303 1.466) 22.351 3.745 ( 0.000 20.744 -8.046) 22.250 3.745 ( 0.000 20.744 8.046) 22.250 3.879 ( 0.000 9.399 -3.754) 10.120 3.879 ( 0.000 9.399 3.754) 10.120 4.080 ( 0.000 1.121 -12.941) 12.989 4.080 ( 0.000 1.121 12.941) 12.989 4.513 ( 0.000 -0.331 -13.449) 13.453 4.513 ( 0.000 -0.331 13.449) 13.453 4.835 ( 0.000 -0.504 -10.457) 10.469 4.835 ( 0.000 -0.504 10.457) 10.469 5.123 ( 0.000 -5.803 -2.038) 6.151 5.123 ( 0.000 -5.803 2.038) 6.151 5.548 ( 0.000 -2.459 -3.847) 4.566 5.548 ( 0.000 -2.459 3.847) 4.566 5.752 ( 0.000 0.425 -2.169) 2.210 5.752 ( 0.000 0.425 2.169) 2.210 5.882 ( 0.000 -1.116 -2.750) 2.968 5.882 ( 0.000 -1.116 2.750) 2.968 6.605 ( 0.000 -9.423 -3.481) 10.045 6.605 ( 0.000 -9.423 3.481) 10.045 8.075 ( 0.000 -1.388 -1.877) 2.335 8.075 ( 0.000 -1.388 1.877) 2.335 8.144 ( 0.000 0.617 -6.667) 6.696 8.144 ( 0.000 0.617 6.667) 6.696 8.420 ( 0.000 -0.830 -1.082) 1.363 8.420 ( 0.000 -0.830 1.082) 1.363 8.676 ( 0.000 16.898 -3.226) 17.203 8.676 ( 0.000 16.898 3.226) 17.203 9.370 ( 0.000 19.634 -2.888) 19.845 9.370 ( 0.000 19.634 2.888) 19.845 9.724 ( 0.000 12.140 -0.353) 12.145 9.724 ( 0.000 12.140 0.353) 12.145 9.771 ( 0.000 7.475 -11.814) 13.980 9.771 ( 0.000 7.475 11.814) 13.980 10.175 ( 0.000 -1.500 -5.218) 5.429 10.175 ( 0.000 -1.500 5.218) 5.429 10.563 ( 0.000 -5.571 -3.760) 6.722 10.563 ( 0.000 -5.571 3.760) 6.722 10.967 ( 0.000 7.508 -0.493) 7.524 10.967 ( 0.000 7.508 0.493) 7.524 11.006 ( 0.000 0.779 -3.914) 3.990 11.006 ( 0.000 0.779 3.914) 3.990 11.646 ( 0.000 6.399 -2.831) 6.997 11.646 ( 0.000 6.399 2.831) 6.997 12.211 ( 0.000 -12.879 -0.450) 12.887 12.211 ( 0.000 -12.879 0.450) 12.887 12.631 ( 0.000 -1.373 -10.340) 10.430 12.631 ( 0.000 -1.373 10.340) 10.430 12.757 ( 0.000 -1.198 -3.520) 3.719 12.757 ( 0.000 -1.198 3.520) 3.719 13.196 ( 0.000 5.600 -4.644) 7.275 13.196 ( 0.000 5.600 4.644) 7.275 13.792 ( 0.000 -9.394 -4.374) 10.362 13.792 ( 0.000 -9.394 4.374) 10.362 13.880 ( 0.000 -10.290 -0.637) 10.310 13.880 ( 0.000 -10.290 0.637) 10.310 16.003 ( 0.000 1.511 -1.590) 2.193 16.003 ( 0.000 1.511 1.590) 2.193 16.335 ( 0.000 -0.073 -3.644) 3.645 16.335 ( 0.000 -0.073 3.644) 3.645 17.465 ( 0.000 -14.507 -4.245) 15.115 17.465 ( 0.000 -14.507 4.245) 15.115 17.820 ( 0.000 -21.050 -2.278) 21.173 17.820 ( 0.000 -21.050 2.278) 21.173======================= Grid point 172 (56/72) =======================q-point: ( 0.20 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 9.064 11.957 -12.070) 19.257 1.556 ( 9.064 11.957 12.070) 19.257 1.772 ( 6.304 16.031 -15.851) 23.409 1.772 ( 6.304 16.031 15.851) 23.409 2.334 ( -7.186 5.466 -7.723) 11.882 2.334 ( -7.186 5.466 7.723) 11.882 2.519 ( -7.797 7.956 -4.855) 12.151 2.519 ( -7.797 7.956 4.855) 12.151 2.724 ( 6.374 8.055 -5.730) 11.762 2.724 ( 6.374 8.055 5.730) 11.762 2.895 ( 3.019 20.372 -0.645) 20.605 2.895 ( 3.019 20.372 0.645) 20.605 2.977 ( 1.420 21.210 -9.674) 23.355 2.977 ( 1.420 21.210 9.674) 23.355 3.145 ( 3.943 21.524 -3.399) 22.144 3.145 ( 3.943 21.524 3.399) 22.144 3.283 ( 3.248 25.957 -10.278) 28.106 3.283 ( 3.248 25.957 10.278) 28.106 3.362 ( 3.495 20.777 -2.493) 21.216 3.362 ( 3.495 20.777 2.493) 21.216 3.727 ( -1.662 20.519 -6.832) 21.690 3.727 ( -1.662 20.519 6.832) 21.690 3.810 ( -4.824 8.134 -7.581) 12.120 3.810 ( -4.824 8.134 7.581) 12.120 4.091 ( -1.413 5.073 -11.130) 12.313 4.091 ( -1.413 5.073 11.130) 12.313 4.346 ( -11.782 2.134 -13.121) 17.764 4.346 ( -11.782 2.134 13.121) 17.764 4.905 ( 2.861 -2.321 -4.317) 5.675 4.905 ( 2.861 -2.321 4.317) 5.675 5.112 ( -1.560 -3.236 -4.998) 6.155 5.112 ( -1.560 -3.236 4.998) 6.155 5.469 ( -2.914 -4.991 -1.347) 5.934 5.469 ( -2.914 -4.991 1.347) 5.934 5.791 ( 1.101 -1.548 -4.576) 4.955 5.791 ( 1.101 -1.548 4.576) 4.955 5.980 ( 8.712 -0.063 -5.103) 10.097 5.980 ( 8.712 -0.063 5.103) 10.097 6.577 ( -2.852 -9.007 -6.347) 11.382 6.577 ( -2.852 -9.007 6.347) 11.382 8.089 ( -1.111 2.017 -0.776) 2.431 8.089 ( -1.111 2.017 0.776) 2.431 8.174 ( 4.826 -3.733 -2.082) 6.447 8.174 ( 4.826 -3.733 2.082) 6.447 8.443 ( 2.041 4.430 -1.087) 4.998 8.443 ( 2.041 4.430 1.087) 4.998 8.683 ( -0.115 13.298 -3.850) 13.844 8.683 ( -0.115 13.298 3.850) 13.844 9.396 ( 2.672 19.452 -2.308) 19.770 9.396 ( 2.672 19.452 2.308) 19.770 9.650 ( -3.360 9.795 -1.580) 10.475 9.650 ( -3.360 9.795 1.580) 10.475 9.878 ( 6.696 9.871 -7.098) 13.880 9.878 ( 6.696 9.871 7.098) 13.880 10.205 ( 2.265 -1.265 -4.631) 5.308 10.205 ( 2.265 -1.265 4.631) 5.308 10.493 ( -4.168 -2.626 -1.420) 5.127 10.493 ( -4.168 -2.626 1.420) 5.127 10.947 ( -2.175 0.702 -4.181) 4.765 10.947 ( -2.175 0.702 4.181) 4.765 11.143 ( 11.431 2.765 -4.670) 12.654 11.143 ( 11.431 2.765 4.670) 12.654 11.567 ( -7.029 4.603 -2.026) 8.643 11.567 ( -7.029 4.603 2.026) 8.643 12.185 ( -2.491 -11.701 -1.448) 12.050 12.185 ( -2.491 -11.701 1.448) 12.050 12.509 ( -12.417 -0.862 -9.958) 15.940 12.509 ( -12.417 -0.862 9.958) 15.940 12.766 ( 1.137 -0.204 -5.985) 6.096 12.766 ( 1.137 -0.204 5.985) 6.096 13.167 ( -1.104 6.640 -2.413) 7.151 13.167 ( -1.104 6.640 2.413) 7.151 13.731 ( -3.038 -9.515 -2.638) 10.331 13.731 ( -3.038 -9.515 2.638) 10.331 13.951 ( 3.595 -10.463 -1.271) 11.136 13.951 ( 3.595 -10.463 1.271) 11.136 16.035 ( 3.159 0.842 -1.750) 3.708 16.035 ( 3.159 0.842 1.750) 3.708 16.376 ( 3.206 -0.650 -3.903) 5.093 16.376 ( 3.206 -0.650 3.903) 5.093 17.453 ( -1.271 -14.693 -4.059) 15.297 17.453 ( -1.271 -14.693 4.059) 15.297 17.773 ( -3.752 -19.124 -2.226) 19.615 17.773 ( -3.752 -19.124 2.226) 19.615======================= Grid point 174 (57/72) =======================q-point: ( 0.40 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 13.423 9.006 -9.192) 18.595 1.797 ( 13.423 9.006 9.192) 18.595 1.926 ( 6.049 10.224 -15.713) 19.698 1.926 ( 6.049 10.224 15.713) 19.698 2.148 ( -8.919 8.433 -8.313) 14.824 2.148 ( -8.919 8.433 8.313) 14.824 2.314 ( -10.467 13.515 -8.466) 19.076 2.314 ( -10.467 13.515 8.466) 19.076 2.850 ( 4.695 17.714 -4.349) 18.835 2.850 ( 4.695 17.714 4.349) 18.835 2.954 ( 2.520 16.264 -3.188) 16.764 2.954 ( 2.520 16.264 3.188) 16.764 2.994 ( -0.624 15.334 -2.269) 15.513 2.994 ( -0.624 15.334 2.269) 15.513 3.270 ( 7.494 17.046 -1.126) 18.655 3.270 ( 7.494 17.046 1.126) 18.655 3.352 ( 1.062 19.782 -3.992) 20.208 3.352 ( 1.062 19.782 3.992) 20.208 3.400 ( -0.727 14.600 -5.081) 15.476 3.400 ( -0.727 14.600 5.081) 15.476 3.712 ( 0.970 19.672 -4.042) 20.106 3.712 ( 0.970 19.672 4.042) 20.106 3.749 ( 0.226 16.987 -5.844) 17.965 3.749 ( 0.226 16.987 5.844) 17.965 3.992 ( -6.674 12.471 -5.897) 15.325 3.992 ( -6.674 12.471 5.897) 15.325 4.145 ( -6.854 1.122 -8.295) 10.818 4.145 ( -6.854 1.122 8.295) 10.818 4.930 ( 0.644 -1.537 -1.871) 2.505 4.930 ( 0.644 -1.537 1.871) 2.505 5.056 ( -2.668 -3.003 -1.044) 4.150 5.056 ( -2.668 -3.003 1.044) 4.150 5.480 ( 1.860 -6.388 -2.419) 7.079 5.480 ( 1.860 -6.388 2.419) 7.079 5.794 ( -0.298 -4.181 -2.675) 4.973 5.794 ( -0.298 -4.181 2.675) 4.973 6.157 ( 6.972 0.212 -4.155) 8.119 6.157 ( 6.972 0.212 4.155) 8.119 6.498 ( -3.995 -8.391 -5.298) 10.697 6.498 ( -3.995 -8.391 5.298) 10.697 8.060 ( -0.932 -1.342 -0.713) 1.783 8.060 ( -0.932 -1.342 0.713) 1.783 8.268 ( 2.904 3.829 -1.032) 4.915 8.268 ( 2.904 3.829 1.032) 4.915 8.491 ( 2.215 6.363 -0.211) 6.741 8.491 ( 2.215 6.363 0.211) 6.741 8.657 ( -1.798 8.516 -2.336) 9.012 8.657 ( -1.798 8.516 2.336) 9.012 9.474 ( 4.812 18.162 -1.856) 18.880 9.474 ( 4.812 18.162 1.856) 18.880 9.577 ( -4.430 14.763 -0.916) 15.441 9.577 ( -4.430 14.763 0.916) 15.441 10.031 ( 8.249 3.695 -3.781) 9.798 10.031 ( 8.249 3.695 3.781) 9.798 10.183 ( -5.413 -0.016 -0.905) 5.488 10.183 ( -5.413 -0.016 0.905) 5.488 10.505 ( 4.571 1.778 -2.223) 5.385 10.505 ( 4.571 1.778 2.223) 5.385 10.896 ( -2.359 -2.830 -2.624) 4.523 10.896 ( -2.359 -2.830 2.624) 4.523 11.283 ( -2.098 0.103 -3.113) 3.755 11.283 ( -2.098 0.103 3.113) 3.755 11.513 ( 6.283 1.158 -1.312) 6.522 11.513 ( 6.283 1.158 1.312) 6.522 12.092 ( -7.803 -3.499 -4.235) 9.543 12.092 ( -7.803 -3.499 4.235) 9.543 12.252 ( -7.153 -3.657 -4.620) 9.267 12.252 ( -7.153 -3.657 4.620) 9.267 12.796 ( 1.188 0.313 -2.413) 2.708 12.796 ( 1.188 0.313 2.413) 2.708 13.167 ( 0.425 6.663 -1.553) 6.854 13.167 ( 0.425 6.663 1.553) 6.854 13.692 ( -0.917 -8.967 -1.081) 9.078 13.692 ( -0.917 -8.967 1.081) 9.078 13.993 ( 0.828 -11.088 -0.637) 11.137 13.993 ( 0.828 -11.088 0.637) 11.137 16.105 ( 2.649 -0.475 -0.933) 2.848 16.105 ( 2.649 -0.475 0.933) 2.848 16.426 ( 1.294 -1.013 -2.004) 2.592 16.426 ( 1.294 -1.013 2.004) 2.592 17.420 ( -1.415 -15.037 -1.941) 15.227 17.420 ( -1.415 -15.037 1.941) 15.227 17.712 ( -1.679 -16.376 -0.947) 16.489 17.712 ( -1.679 -16.376 0.947) 16.489======================= Grid point 180 (58/72) =======================q-point: ( 0.00 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 0.000 14.142 -4.492) 14.838 1.738 ( 0.000 14.142 4.492) 14.838 2.076 ( 0.000 18.583 -6.887) 19.818 2.076 ( 0.000 18.583 6.887) 19.818 2.503 ( 0.000 4.729 -2.683) 5.437 2.503 ( 0.000 4.729 2.683) 5.437 2.640 ( 0.000 1.077 -2.093) 2.354 2.640 ( 0.000 1.077 2.093) 2.354 2.711 ( 0.000 5.408 -2.758) 6.071 2.711 ( 0.000 5.408 2.758) 6.071 3.305 ( 0.000 13.716 -1.967) 13.856 3.305 ( 0.000 13.716 1.967) 13.856 3.463 ( 0.000 19.564 -3.235) 19.829 3.463 ( 0.000 19.564 3.235) 19.829 3.526 ( 0.000 18.823 -6.020) 19.762 3.526 ( 0.000 18.823 6.020) 19.762 3.705 ( 0.000 24.924 -1.521) 24.971 3.705 ( 0.000 24.924 1.521) 24.971 3.833 ( 0.000 25.916 -2.639) 26.050 3.833 ( 0.000 25.916 2.639) 26.050 4.045 ( 0.000 12.355 -5.928) 13.703 4.045 ( 0.000 12.355 5.928) 13.703 4.109 ( 0.000 9.624 -4.009) 10.426 4.109 ( 0.000 9.624 4.009) 10.426 4.297 ( 0.000 21.084 -6.915) 22.189 4.297 ( 0.000 21.084 6.915) 22.189 4.578 ( 0.000 9.212 -9.115) 12.960 4.578 ( 0.000 9.212 9.115) 12.960 4.865 ( 0.000 4.795 -4.658) 6.685 4.865 ( 0.000 4.795 4.658) 6.685 5.003 ( 0.000 -5.882 -1.272) 6.018 5.003 ( 0.000 -5.882 1.272) 6.018 5.508 ( 0.000 -0.730 -3.428) 3.505 5.508 ( 0.000 -0.730 3.428) 3.505 5.759 ( 0.000 0.134 -4.963) 4.964 5.759 ( 0.000 0.134 4.963) 4.964 5.888 ( 0.000 1.755 -0.719) 1.897 5.888 ( 0.000 1.755 0.719) 1.897 6.457 ( 0.000 -5.267 -0.104) 5.268 6.457 ( 0.000 -5.267 0.104) 5.268 7.990 ( 0.000 -4.167 -4.203) 5.918 7.990 ( 0.000 -4.167 4.203) 5.918 8.163 ( 0.000 -0.714 -7.223) 7.258 8.163 ( 0.000 -0.714 7.223) 7.258 8.432 ( 0.000 2.007 -2.248) 3.014 8.432 ( 0.000 2.007 2.248) 3.014 8.935 ( 0.000 8.779 -1.386) 8.888 8.935 ( 0.000 8.779 1.386) 8.888 9.658 ( 0.000 7.627 -1.698) 7.814 9.658 ( 0.000 7.627 1.698) 7.814 9.850 ( 0.000 3.532 -7.256) 8.070 9.850 ( 0.000 3.532 7.256) 8.070 9.934 ( 0.000 6.276 -10.160) 11.942 9.934 ( 0.000 6.276 10.160) 11.942 10.243 ( 0.000 4.345 -4.308) 6.118 10.243 ( 0.000 4.345 4.308) 6.118 10.438 ( 0.000 -2.567 -3.387) 4.250 10.438 ( 0.000 -2.567 3.387) 4.250 11.016 ( 0.000 5.439 -5.949) 8.060 11.016 ( 0.000 5.439 5.949) 8.060 11.245 ( 0.000 15.215 -2.971) 15.502 11.245 ( 0.000 15.215 2.971) 15.502 11.736 ( 0.000 3.137 -0.799) 3.237 11.736 ( 0.000 3.137 0.799) 3.237 12.072 ( 0.000 -1.721 -0.330) 1.752 12.072 ( 0.000 -1.721 0.330) 1.752 12.554 ( 0.000 -7.413 -11.989) 14.095 12.554 ( 0.000 -7.413 11.989) 14.095 12.757 ( 0.000 1.172 -5.251) 5.381 12.757 ( 0.000 1.172 5.251) 5.381 13.254 ( 0.000 -0.552 -1.488) 1.587 13.254 ( 0.000 -0.552 1.488) 1.587 13.574 ( 0.000 -9.815 -3.126) 10.301 13.574 ( 0.000 -9.815 3.126) 10.301 13.662 ( 0.000 -12.737 -3.210) 13.136 13.662 ( 0.000 -12.737 3.210) 13.136 15.981 ( 0.000 -2.916 -2.262) 3.690 15.981 ( 0.000 -2.916 2.262) 3.690 16.333 ( 0.000 -0.210 -5.047) 5.052 16.333 ( 0.000 -0.210 5.047) 5.052 17.156 ( 0.000 -16.136 -2.235) 16.290 17.156 ( 0.000 -16.136 2.235) 16.290 17.391 ( 0.000 -22.072 -2.390) 22.201 17.391 ( 0.000 -22.072 2.390) 22.201======================= Grid point 182 (59/72) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 6.486 12.898 -5.147) 15.327 1.804 ( 6.486 12.898 5.147) 15.327 2.096 ( 2.126 16.373 -9.123) 18.864 2.096 ( 2.126 16.373 9.123) 18.864 2.458 ( -4.962 6.975 -5.078) 9.953 2.458 ( -4.962 6.975 5.078) 9.953 2.619 ( -2.091 3.549 -4.181) 5.869 2.619 ( -2.091 3.549 4.181) 5.869 2.799 ( 7.744 3.537 -5.102) 9.925 2.799 ( 7.744 3.537 5.102) 9.925 3.264 ( -2.118 11.520 -3.999) 12.376 3.264 ( -2.118 11.520 3.999) 12.376 3.455 ( -1.128 21.349 -2.906) 21.575 3.455 ( -1.128 21.349 2.906) 21.575 3.524 ( -0.913 14.333 -4.551) 15.066 3.524 ( -0.913 14.333 4.551) 15.066 3.700 ( -0.700 21.412 -1.208) 21.458 3.700 ( -0.700 21.412 1.208) 21.458 3.832 ( -0.923 22.285 -4.304) 22.716 3.832 ( -0.923 22.285 4.304) 22.716 4.044 ( -0.419 13.540 -6.729) 15.126 4.044 ( -0.419 13.540 6.729) 15.126 4.106 ( 2.453 18.712 -3.208) 19.143 4.106 ( 2.453 18.712 3.208) 19.143 4.303 ( -1.188 16.879 -7.549) 18.528 4.303 ( -1.188 16.879 7.549) 18.528 4.527 ( -3.419 17.223 -7.285) 19.011 4.527 ( -3.419 17.223 7.285) 19.011 4.866 ( 0.294 -0.891 -1.141) 1.477 4.866 ( 0.294 -0.891 1.141) 1.477 5.063 ( 3.033 -1.088 -3.517) 4.770 5.063 ( 3.033 -1.088 3.517) 4.770 5.389 ( -6.765 -2.005 -2.866) 7.616 5.389 ( -6.765 -2.005 2.866) 7.616 5.769 ( -0.844 -0.380 -5.599) 5.675 5.769 ( -0.844 -0.380 5.599) 5.675 5.993 ( 8.805 1.042 -2.353) 9.174 5.993 ( 8.805 1.042 2.353) 9.174 6.432 ( -2.605 -5.312 -4.346) 7.341 6.432 ( -2.605 -5.312 4.346) 7.341 8.048 ( 2.772 -4.014 -3.436) 5.967 8.048 ( 2.772 -4.014 3.436) 5.967 8.130 ( 0.589 -1.141 -5.798) 5.938 8.130 ( 0.589 -1.141 5.798) 5.938 8.511 ( 5.583 2.764 -3.336) 7.067 8.511 ( 5.583 2.764 3.336) 7.067 8.898 ( -3.612 7.302 -1.136) 8.226 8.898 ( -3.612 7.302 1.136) 8.226 9.666 ( 2.164 5.897 -0.293) 6.288 9.666 ( 2.164 5.897 0.293) 6.288 9.817 ( -0.697 8.959 -5.580) 10.578 9.817 ( -0.697 8.959 5.580) 10.578 10.064 ( 7.549 4.597 -5.316) 10.314 10.064 ( 7.549 4.597 5.316) 10.314 10.253 ( 1.661 4.538 -6.237) 7.889 10.253 ( 1.661 4.538 6.237) 7.889 10.416 ( -1.129 -0.687 -4.541) 4.729 10.416 ( -1.129 -0.687 4.541) 4.729 10.971 ( -4.524 2.904 -5.120) 7.424 10.971 ( -4.524 2.904 5.120) 7.424 11.303 ( 5.264 11.884 -1.342) 13.067 11.303 ( 5.264 11.884 1.342) 13.067 11.628 ( -9.160 2.176 -1.226) 9.495 11.628 ( -9.160 2.176 1.226) 9.495 12.063 ( -0.479 -1.013 -1.792) 2.113 12.063 ( -0.479 -1.013 1.792) 2.113 12.476 ( -7.835 -3.050 -10.037) 13.093 12.476 ( -7.835 -3.050 10.037) 13.093 12.789 ( 2.096 2.426 -6.533) 7.277 12.789 ( 2.096 2.426 6.533) 7.277 13.237 ( -0.124 -1.104 -1.020) 1.508 13.237 ( -0.124 -1.104 1.020) 1.508 13.512 ( -3.642 -10.258 -3.839) 11.542 13.512 ( -3.642 -10.258 3.839) 11.542 13.708 ( 1.984 -13.952 -2.057) 14.242 13.708 ( 1.984 -13.952 2.057) 14.242 16.009 ( 2.562 -3.016 -1.927) 4.402 16.009 ( 2.562 -3.016 1.927) 4.402 16.362 ( 2.335 -0.869 -4.617) 5.246 16.362 ( 2.335 -0.869 4.617) 5.246 17.142 ( -1.537 -16.203 -2.387) 16.450 17.142 ( -1.537 -16.203 2.387) 16.450 17.375 ( -1.220 -20.879 -1.730) 20.986 17.375 ( -1.220 -20.879 1.730) 20.986======================= Grid point 184 (60/72) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 9.973 9.456 -3.911) 14.289 1.980 ( 9.973 9.456 3.911) 14.289 2.128 ( -1.641 10.103 -7.865) 12.908 2.128 ( -1.641 10.103 7.865) 12.908 2.345 ( -3.740 11.708 -5.462) 13.449 2.345 ( -3.740 11.708 5.462) 13.449 2.544 ( -4.242 10.061 -6.163) 12.538 2.544 ( -4.242 10.061 6.163) 12.538 2.958 ( 5.930 1.345 -4.586) 7.616 2.958 ( 5.930 1.345 4.586) 7.616 3.262 ( 0.754 8.316 -2.913) 8.843 3.262 ( 0.754 8.316 2.913) 8.843 3.421 ( -0.773 19.761 -2.103) 19.887 3.421 ( -0.773 19.761 2.103) 19.887 3.490 ( -2.223 8.122 -3.471) 9.108 3.490 ( -2.223 8.122 3.471) 9.108 3.695 ( 1.098 19.842 -1.915) 19.965 3.695 ( 1.098 19.842 1.915) 19.965 3.764 ( -4.998 17.040 -1.393) 17.812 3.764 ( -4.998 17.040 1.393) 17.812 4.074 ( 2.919 19.378 -1.932) 19.691 4.074 ( 2.919 19.378 1.932) 19.691 4.189 ( 1.841 16.679 -6.224) 17.897 4.189 ( 1.841 16.679 6.224) 17.897 4.277 ( 2.738 22.920 -4.968) 23.611 4.277 ( 2.738 22.920 4.968) 23.611 4.428 ( -7.102 24.967 -6.244) 26.698 4.428 ( -7.102 24.967 6.244) 26.698 4.903 ( 3.390 -0.579 -0.604) 3.491 4.903 ( 3.390 -0.579 0.604) 3.491 5.026 ( -5.079 0.710 -0.739) 5.181 5.026 ( -5.079 0.710 0.739) 5.181 5.356 ( 1.632 -5.009 -2.049) 5.652 5.356 ( 1.632 -5.009 2.049) 5.652 5.739 ( -1.389 -1.036 -3.036) 3.496 5.739 ( -1.389 -1.036 3.036) 3.496 6.173 ( 8.043 0.706 -3.921) 8.975 6.173 ( 8.043 0.706 3.921) 8.975 6.350 ( -5.224 -5.905 -5.193) 9.441 6.350 ( -5.224 -5.905 5.193) 9.441 8.030 ( -1.346 -1.444 -0.452) 2.025 8.030 ( -1.346 -1.444 0.452) 2.025 8.242 ( 5.687 -3.700 -2.287) 7.159 8.242 ( 5.687 -3.700 2.287) 7.159 8.577 ( 0.381 2.648 -3.329) 4.271 8.577 ( 0.381 2.648 3.329) 4.271 8.826 ( -2.172 6.580 -0.963) 6.995 8.826 ( -2.172 6.580 0.963) 6.995 9.745 ( 4.143 7.206 -1.154) 8.392 9.745 ( 4.143 7.206 1.154) 8.392 9.821 ( 0.211 9.668 -3.508) 10.287 9.821 ( 0.211 9.668 3.508) 10.287 10.124 ( -0.170 2.036 -3.075) 3.692 10.124 ( -0.170 2.036 3.075) 3.692 10.274 ( -1.253 11.114 -0.989) 11.229 10.274 ( -1.253 11.114 0.989) 11.229 10.500 ( 8.825 -0.745 -1.893) 9.057 10.500 ( 8.825 -0.745 1.893) 9.057 10.861 ( -5.420 -1.279 -2.889) 6.274 10.861 ( -5.420 -1.279 2.889) 6.274 11.294 ( -6.734 1.069 -1.677) 7.022 11.294 ( -6.734 1.069 1.677) 7.022 11.567 ( 4.451 4.967 -1.444) 6.824 11.567 ( 4.451 4.967 1.444) 6.824 12.068 ( 1.213 2.107 -3.821) 4.529 12.068 ( 1.213 2.107 3.821) 4.529 12.269 ( -9.861 3.615 -4.373) 11.377 12.269 ( -9.861 3.615 4.373) 11.377 12.824 ( 1.152 2.413 -2.612) 3.738 12.824 ( 1.152 2.413 2.612) 3.738 13.264 ( 1.648 1.921 -1.379) 2.883 13.264 ( 1.648 1.921 1.379) 2.883 13.456 ( -1.645 -13.745 -2.055) 13.995 13.456 ( -1.645 -13.745 2.055) 13.995 13.723 ( -0.075 -15.531 -0.744) 15.549 13.723 ( -0.075 -15.531 0.744) 15.549 16.062 ( 1.931 -3.646 -0.823) 4.207 16.062 ( 1.931 -3.646 0.823) 4.207 16.403 ( 1.249 -1.376 -2.137) 2.832 16.403 ( 1.249 -1.376 2.137) 2.832 17.104 ( -1.542 -16.387 -1.260) 16.508 17.104 ( -1.542 -16.387 1.260) 16.508 17.358 ( -0.345 -19.011 -0.469) 19.020 17.358 ( -0.345 -19.011 0.469) 19.020======================= Grid point 190 (61/72) =======================q-point: ( 0.00 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( 0.000 12.930 -2.798) 13.229 2.006 ( 0.000 12.930 2.798) 13.229 2.400 ( 0.000 12.720 -5.065) 13.691 2.400 ( 0.000 12.720 5.065) 13.691 2.594 ( 0.000 5.418 -0.620) 5.454 2.594 ( 0.000 5.418 0.620) 5.454 2.663 ( 0.000 1.882 -2.171) 2.873 2.663 ( 0.000 1.882 2.171) 2.873 2.869 ( 0.000 10.204 -2.694) 10.553 2.869 ( 0.000 10.204 2.694) 10.553 3.404 ( 0.000 0.107 -0.474) 0.485 3.404 ( 0.000 0.107 0.474) 0.485 3.674 ( 0.000 3.857 -0.355) 3.873 3.674 ( 0.000 3.857 0.355) 3.873 3.873 ( 0.000 13.245 -4.519) 13.995 3.873 ( 0.000 13.245 4.519) 13.995 4.034 ( 0.000 4.414 -7.566) 8.759 4.034 ( 0.000 4.414 7.566) 8.759 4.138 ( 0.000 2.700 -5.312) 5.959 4.138 ( 0.000 2.700 5.312) 5.959 4.252 ( 0.000 17.909 -3.070) 18.170 4.252 ( 0.000 17.909 3.070) 18.170 4.518 ( 0.000 23.852 -10.991) 26.263 4.518 ( 0.000 23.852 10.991) 26.263 4.677 ( 0.000 15.605 -9.883) 18.471 4.677 ( 0.000 15.605 9.883) 18.471 4.860 ( 0.000 11.960 -1.952) 12.118 4.860 ( 0.000 11.960 1.952) 12.118 4.940 ( 0.000 7.462 -2.583) 7.896 4.940 ( 0.000 7.462 2.583) 7.896 5.063 ( 0.000 14.248 -1.392) 14.316 5.063 ( 0.000 14.248 1.392) 14.316 5.577 ( 0.000 9.206 -0.130) 9.207 5.577 ( 0.000 9.206 0.130) 9.207 5.755 ( 0.000 -0.597 -3.613) 3.662 5.755 ( 0.000 -0.597 3.613) 3.662 5.960 ( 0.000 6.347 -2.471) 6.811 5.960 ( 0.000 6.347 2.471) 6.811 6.405 ( 0.000 -0.226 -2.934) 2.942 6.405 ( 0.000 -0.226 2.934) 2.942 7.943 ( 0.000 -0.281 -3.963) 3.973 7.943 ( 0.000 -0.281 3.963) 3.973 8.128 ( 0.000 -2.132 -7.642) 7.934 8.128 ( 0.000 -2.132 7.642) 7.934 8.491 ( 0.000 3.844 -1.975) 4.322 8.491 ( 0.000 3.844 1.975) 4.322 9.027 ( 0.000 1.174 -0.841) 1.444 9.027 ( 0.000 1.174 0.841) 1.444 9.688 ( 0.000 -0.743 -3.795) 3.867 9.688 ( 0.000 -0.743 3.795) 3.867 9.926 ( 0.000 0.318 -13.080) 13.084 9.926 ( 0.000 0.318 13.080) 13.084 9.955 ( 0.000 -3.124 -5.123) 6.001 9.955 ( 0.000 -3.124 5.123) 6.001 10.214 ( 0.000 -0.068 -0.358) 0.364 10.214 ( 0.000 -0.068 0.358) 0.364 10.590 ( 0.000 11.745 -4.661) 12.636 10.590 ( 0.000 11.745 4.661) 12.636 11.159 ( 0.000 7.121 -5.788) 9.177 11.159 ( 0.000 7.121 5.788) 9.177 11.530 ( 0.000 12.252 -0.951) 12.289 11.530 ( 0.000 12.252 0.951) 12.289 11.786 ( 0.000 2.380 -2.184) 3.230 11.786 ( 0.000 2.380 2.184) 3.230 12.108 ( 0.000 3.967 -0.367) 3.983 12.108 ( 0.000 3.967 0.367) 3.983 12.321 ( 0.000 -15.302 -9.868) 18.208 12.321 ( 0.000 -15.302 9.868) 18.208 12.795 ( 0.000 2.092 -0.081) 2.094 12.795 ( 0.000 2.092 0.081) 2.094 13.167 ( 0.000 -7.925 -4.884) 9.309 13.167 ( 0.000 -7.925 4.884) 9.309 13.370 ( 0.000 -12.925 -1.465) 13.008 13.370 ( 0.000 -12.925 1.465) 13.008 13.489 ( 0.000 -1.768 -3.173) 3.633 13.489 ( 0.000 -1.768 3.173) 3.633 15.914 ( 0.000 -3.329 -3.688) 4.969 15.914 ( 0.000 -3.329 3.688) 4.969 16.326 ( 0.000 -0.611 -5.570) 5.603 16.326 ( 0.000 -0.611 5.570) 5.603 16.863 ( 0.000 -13.196 -1.078) 13.240 16.863 ( 0.000 -13.196 1.078) 13.240 16.972 ( 0.000 -19.996 -3.183) 20.248 16.972 ( 0.000 -19.996 3.183) 20.248======================= Grid point 192 (62/72) =======================q-point: ( 0.20 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 4.227 11.900 -2.190) 12.817 2.049 ( 4.227 11.900 2.190) 12.817 2.380 ( -1.820 11.373 -5.569) 12.793 2.380 ( -1.820 11.373 5.569) 12.793 2.596 ( -1.042 6.515 -2.715) 7.135 2.596 ( -1.042 6.515 2.715) 7.135 2.685 ( 2.497 4.041 -4.211) 6.348 2.685 ( 2.497 4.041 4.211) 6.348 2.910 ( 3.903 8.083 -3.816) 9.753 2.910 ( 3.903 8.083 3.816) 9.753 3.359 ( -3.101 0.540 -5.292) 6.157 3.359 ( -3.101 0.540 5.292) 6.157 3.618 ( -5.144 2.874 -2.936) 6.583 3.618 ( -5.144 2.874 2.936) 6.583 3.839 ( -3.768 8.914 -5.024) 10.903 3.839 ( -3.768 8.914 5.024) 10.903 4.005 ( -1.478 7.890 -6.979) 10.637 4.005 ( -1.478 7.890 6.979) 10.637 4.168 ( 0.711 13.433 -5.598) 14.570 4.168 ( 0.711 13.433 5.598) 14.570 4.268 ( 2.821 10.408 -2.764) 11.132 4.268 ( 2.821 10.408 2.764) 11.132 4.526 ( 0.129 19.217 -9.275) 21.338 4.526 ( 0.129 19.217 9.275) 21.338 4.701 ( 2.129 19.179 -6.903) 20.494 4.701 ( 2.129 19.179 6.903) 20.494 4.878 ( 0.791 8.507 -2.281) 8.843 4.878 ( 0.791 8.507 2.281) 8.843 4.902 ( -0.238 13.782 -2.674) 14.041 4.902 ( -0.238 13.782 2.674) 14.041 5.125 ( 2.723 8.799 -3.763) 9.950 5.125 ( 2.723 8.799 3.763) 9.950 5.472 ( -6.386 12.324 -5.470) 14.919 5.472 ( -6.386 12.324 5.470) 14.919 5.784 ( 0.258 1.800 -4.153) 4.534 5.784 ( 0.258 1.800 4.153) 4.534 6.023 ( 5.904 3.176 -1.307) 6.830 6.023 ( 5.904 3.176 1.307) 6.830 6.381 ( -2.451 -0.107 -3.219) 4.047 6.381 ( -2.451 -0.107 3.219) 4.047 7.990 ( 3.151 -1.410 -3.500) 4.916 7.990 ( 3.151 -1.410 3.500) 4.916 8.111 ( 0.124 -0.628 -6.413) 6.445 8.111 ( 0.124 -0.628 6.413) 6.445 8.561 ( 5.109 2.618 -4.050) 7.026 8.561 ( 5.109 2.618 4.050) 7.026 8.980 ( -4.076 1.824 -0.777) 4.533 8.980 ( -4.076 1.824 0.777) 4.533 9.702 ( 2.635 -0.104 -4.426) 5.152 9.702 ( 2.635 -0.104 4.426) 5.152 9.914 ( -0.396 -0.427 -5.060) 5.093 9.914 ( -0.396 -0.427 5.060) 5.093 10.071 ( 7.733 -3.839 -8.216) 11.918 10.071 ( 7.733 -3.839 8.216) 11.918 10.247 ( 4.573 1.817 -1.297) 5.088 10.247 ( 4.573 1.817 1.297) 5.088 10.587 ( -0.470 11.436 -5.029) 12.502 10.587 ( -0.470 11.436 5.029) 12.502 11.050 ( -9.860 3.641 -4.519) 11.442 11.050 ( -9.860 3.641 4.519) 11.442 11.515 ( -3.819 7.593 -3.539) 9.207 11.515 ( -3.819 7.593 3.539) 9.207 11.688 ( -5.718 4.665 -0.769) 7.419 11.688 ( -5.718 4.665 0.769) 7.419 12.116 ( 1.207 5.142 -4.216) 6.758 12.116 ( 1.207 5.142 4.216) 6.758 12.360 ( 2.162 -8.938 -8.268) 12.367 12.360 ( 2.162 -8.938 8.268) 12.367 12.849 ( 3.909 3.004 -1.589) 5.180 12.849 ( 3.909 3.004 1.589) 5.180 13.105 ( -3.962 -9.614 -1.302) 10.480 13.105 ( -3.962 -9.614 1.302) 10.480 13.343 ( -2.864 -11.399 -1.161) 11.811 13.343 ( -2.864 -11.399 1.161) 11.811 13.485 ( -0.491 -4.621 -2.352) 5.208 13.485 ( -0.491 -4.621 2.352) 5.208 15.939 ( 2.115 -3.584 -3.001) 5.131 15.939 ( 2.115 -3.584 3.001) 5.131 16.341 ( 1.349 -1.411 -4.917) 5.290 16.341 ( 1.349 -1.411 4.917) 5.290 16.849 ( -1.660 -13.013 -1.064) 13.161 16.849 ( -1.660 -13.013 1.064) 13.161 16.976 ( 0.644 -19.080 -1.883) 19.184 16.976 ( 0.644 -19.080 1.883) 19.184======================= Grid point 194 (63/72) =======================q-point: ( 0.40 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( 6.498 9.133 -1.172) 11.270 2.163 ( 6.498 9.133 1.172) 11.270 2.310 ( -5.282 8.233 -2.981) 10.226 2.310 ( -5.282 8.233 2.981) 10.226 2.585 ( 0.384 11.489 -2.562) 11.778 2.585 ( 0.384 11.489 2.562) 11.778 2.718 ( 0.429 7.663 -4.033) 8.670 2.718 ( 0.429 7.663 4.033) 8.670 2.992 ( 2.880 3.096 -2.542) 4.933 2.992 ( 2.880 3.096 2.542) 4.933 3.324 ( -0.486 0.432 -2.872) 2.945 3.324 ( -0.486 0.432 2.872) 2.945 3.531 ( -1.840 2.429 -3.701) 4.794 3.531 ( -1.840 2.429 3.701) 4.794 3.727 ( -5.500 4.129 -4.619) 8.285 3.727 ( -5.500 4.129 4.619) 8.285 4.001 ( 0.549 13.890 -2.595) 14.141 4.001 ( 0.549 13.890 2.595) 14.141 4.151 ( -1.239 19.967 -2.565) 20.169 4.151 ( -1.239 19.967 2.565) 20.169 4.356 ( 4.408 5.847 -5.699) 9.279 4.356 ( 4.408 5.847 5.699) 9.279 4.492 ( -3.061 12.980 -6.172) 14.695 4.492 ( -3.061 12.980 6.172) 14.695 4.770 ( 4.392 20.531 -3.832) 21.343 4.770 ( 4.392 20.531 3.832) 21.343 4.861 ( -2.212 18.816 -2.097) 19.061 4.861 ( -2.212 18.816 2.097) 19.061 4.960 ( 4.137 7.650 -4.719) 9.895 4.960 ( 4.137 7.650 4.719) 9.895 5.100 ( -4.270 6.430 -2.633) 8.156 5.100 ( -4.270 6.430 2.633) 8.156 5.411 ( -0.146 14.900 -2.479) 15.106 5.411 ( -0.146 14.900 2.479) 15.106 5.768 ( -0.992 4.046 -1.956) 4.602 5.768 ( -0.992 4.046 1.956) 4.602 6.152 ( 5.673 -1.532 -0.737) 5.923 6.152 ( 5.673 -1.532 0.737) 5.923 6.312 ( -3.878 1.441 -2.377) 4.771 6.312 ( -3.878 1.441 2.377) 4.771 8.007 ( -0.438 -0.851 -0.215) 0.981 8.007 ( -0.438 -0.851 0.215) 0.981 8.178 ( 4.088 -2.045 -2.435) 5.180 8.178 ( 4.088 -2.045 2.435) 5.180 8.622 ( 0.428 2.489 -4.538) 5.193 8.622 ( 0.428 2.489 4.538) 5.193 8.911 ( -1.773 2.750 -2.481) 4.106 8.911 ( -1.773 2.750 2.481) 4.106 9.803 ( 6.358 -0.614 -4.771) 7.973 9.803 ( 6.358 -0.614 4.771) 7.973 9.897 ( -2.231 -0.791 -5.427) 5.920 9.897 ( -2.231 -0.791 5.427) 5.920 10.144 ( 0.630 0.019 -2.754) 2.825 10.144 ( 0.630 0.019 2.754) 2.825 10.432 ( 9.299 3.276 -6.733) 11.939 10.432 ( 9.299 3.276 6.733) 11.939 10.578 ( 1.087 8.121 -5.627) 9.939 10.578 ( 1.087 8.121 5.627) 9.939 10.836 ( -9.551 -1.266 -2.442) 9.939 10.836 ( -9.551 -1.266 2.442) 9.939 11.328 ( -9.150 2.762 -2.581) 9.901 11.328 ( -9.150 2.762 2.581) 9.901 11.684 ( 1.958 5.525 -0.486) 5.882 11.684 ( 1.958 5.525 0.486) 5.882 12.162 ( 2.936 6.352 -4.276) 8.201 12.162 ( 2.936 6.352 4.276) 8.201 12.350 ( -2.782 3.342 -3.592) 5.640 12.350 ( -2.782 3.342 3.592) 5.640 12.884 ( -0.180 3.257 -1.396) 3.548 12.884 ( -0.180 3.257 1.396) 3.548 13.108 ( 3.930 -14.120 -0.106) 14.657 13.108 ( 3.930 -14.120 0.106) 14.657 13.260 ( -4.768 -10.764 -1.217) 11.836 13.260 ( -4.768 -10.764 1.217) 11.836 13.473 ( -0.460 -6.403 -0.945) 6.489 13.473 ( -0.460 -6.403 0.945) 6.489 15.979 ( 1.337 -4.309 -1.170) 4.661 15.979 ( 1.337 -4.309 1.170) 4.661 16.369 ( 1.080 -2.218 -2.187) 3.297 16.369 ( 1.080 -2.218 2.187) 3.297 16.807 ( -1.670 -13.169 -0.729) 13.294 16.807 ( -1.670 -13.169 0.729) 13.294 16.993 ( 0.717 -17.339 -0.349) 17.357 16.993 ( 0.717 -17.339 0.349) 17.357======================= Grid point 200 (64/72) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( 0.000 10.859 -2.106) 11.061 2.241 ( 0.000 10.859 2.106) 11.061 2.539 ( 0.000 3.534 -1.141) 3.714 2.539 ( 0.000 3.534 1.141) 3.714 2.657 ( 0.000 0.974 -2.863) 3.024 2.657 ( 0.000 0.974 2.863) 3.024 2.805 ( 0.000 10.216 -1.303) 10.299 2.805 ( 0.000 10.216 1.303) 10.299 3.086 ( 0.000 11.380 -4.128) 12.106 3.086 ( 0.000 11.380 4.128) 12.106 3.382 ( 0.000 -1.212 -0.636) 1.369 3.382 ( 0.000 -1.212 0.636) 1.369 3.695 ( 0.000 -0.591 -0.436) 0.735 3.695 ( 0.000 -0.591 0.436) 0.735 3.962 ( 0.000 -2.739 -4.302) 5.100 3.962 ( 0.000 -2.739 4.302) 5.100 4.026 ( 0.000 -3.959 -5.293) 6.610 4.026 ( 0.000 -3.959 5.293) 6.610 4.160 ( 0.000 0.356 -0.379) 0.520 4.160 ( 0.000 0.356 0.379) 0.520 4.501 ( 0.000 5.005 -3.601) 6.166 4.501 ( 0.000 5.005 3.601) 6.166 4.783 ( 0.000 9.317 -5.930) 11.044 4.783 ( 0.000 9.317 5.930) 11.044 4.875 ( 0.000 -0.197 -1.596) 1.608 4.875 ( 0.000 -0.197 1.596) 1.608 5.065 ( 0.000 17.808 -1.873) 17.907 5.065 ( 0.000 17.808 1.873) 17.907 5.299 ( 0.000 18.137 -1.237) 18.179 5.299 ( 0.000 18.137 1.237) 18.179 5.423 ( 0.000 20.825 -4.354) 21.275 5.423 ( 0.000 20.825 4.354) 21.275 5.739 ( 0.000 1.233 -3.491) 3.703 5.739 ( 0.000 1.233 3.491) 3.703 5.869 ( 0.000 17.268 -0.362) 17.272 5.869 ( 0.000 17.268 0.362) 17.272 6.147 ( 0.000 11.600 -3.891) 12.235 6.147 ( 0.000 11.600 3.891) 12.235 6.420 ( 0.000 1.011 -4.111) 4.234 6.420 ( 0.000 1.011 4.111) 4.234 7.978 ( 0.000 3.329 -3.676) 4.960 7.978 ( 0.000 3.329 3.676) 4.960 8.104 ( 0.000 0.300 -6.881) 6.887 8.104 ( 0.000 0.300 6.881) 6.887 8.573 ( 0.000 4.270 -2.006) 4.717 8.573 ( 0.000 4.270 2.006) 4.717 9.003 ( 0.000 -3.019 -0.265) 3.031 9.003 ( 0.000 -3.019 0.265) 3.031 9.697 ( 0.000 1.116 -7.749) 7.829 9.697 ( 0.000 1.116 7.749) 7.829 9.843 ( 0.000 -5.696 -3.885) 6.894 9.843 ( 0.000 -5.696 3.885) 6.894 9.892 ( 0.000 -1.661 -7.264) 7.451 9.892 ( 0.000 -1.661 7.264) 7.451 10.294 ( 0.000 6.107 -2.317) 6.531 10.294 ( 0.000 6.107 2.317) 6.531 10.788 ( 0.000 7.733 -6.832) 10.319 10.788 ( 0.000 7.733 6.832) 10.319 11.235 ( 0.000 -0.319 -5.530) 5.539 11.235 ( 0.000 -0.319 5.530) 5.539 11.688 ( 0.000 4.243 -0.710) 4.303 11.688 ( 0.000 4.243 0.710) 4.303 11.812 ( 0.000 -3.974 -6.954) 8.009 11.812 ( 0.000 -3.974 6.954) 8.009 11.950 ( 0.000 -12.455 -1.083) 12.502 11.950 ( 0.000 -12.455 1.083) 12.502 12.274 ( 0.000 7.363 -0.380) 7.372 12.274 ( 0.000 7.363 0.380) 7.372 12.748 ( 0.000 -11.396 -1.527) 11.498 12.748 ( 0.000 -11.396 1.527) 11.498 12.977 ( 0.000 -5.750 -0.050) 5.750 12.977 ( 0.000 -5.750 0.050) 5.750 13.233 ( 0.000 -1.226 -1.475) 1.918 13.233 ( 0.000 -1.226 1.475) 1.918 13.486 ( 0.000 0.450 -4.559) 4.581 13.486 ( 0.000 0.450 4.559) 4.581 15.866 ( 0.000 -1.402 -4.723) 4.926 15.866 ( 0.000 -1.402 4.723) 4.926 16.302 ( 0.000 -1.965 -6.012) 6.324 16.302 ( 0.000 -1.965 6.012) 6.324 16.587 ( 0.000 -15.643 -0.337) 15.647 16.587 ( 0.000 -15.643 0.337) 15.647 16.695 ( 0.000 -6.760 -4.178) 7.947 16.695 ( 0.000 -6.760 4.178) 7.947======================= Grid point 202 (65/72) =======================q-point: ( 0.20 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( 2.501 10.117 -1.349) 10.509 2.266 ( 2.501 10.117 1.349) 10.509 2.528 ( -2.149 4.546 -1.701) 5.308 2.528 ( -2.149 4.546 1.701) 5.308 2.668 ( 2.001 1.573 -3.417) 4.261 2.668 ( 2.001 1.573 3.417) 4.261 2.820 ( 1.276 7.799 -3.107) 8.491 2.820 ( 1.276 7.799 3.107) 8.491 3.106 ( 1.413 11.275 -3.871) 12.004 3.106 ( 1.413 11.275 3.871) 12.004 3.349 ( -2.037 -0.453 -5.096) 5.507 3.349 ( -2.037 -0.453 5.096) 5.507 3.652 ( -4.199 1.126 -0.494) 4.375 3.652 ( -4.199 1.126 0.494) 4.375 3.860 ( -6.716 -2.733 -4.566) 8.569 3.860 ( -6.716 -2.733 4.566) 8.569 4.093 ( 4.557 -2.550 -6.767) 8.547 4.093 ( 4.557 -2.550 6.767) 8.547 4.215 ( 3.800 -1.259 -3.263) 5.165 4.215 ( 3.800 -1.259 3.263) 5.165 4.491 ( -0.733 5.826 -2.902) 6.550 4.491 ( -0.733 5.826 2.902) 6.550 4.763 ( -3.031 7.890 -4.644) 9.644 4.763 ( -3.031 7.890 4.644) 9.644 4.888 ( 2.218 2.448 -2.337) 4.046 4.888 ( 2.218 2.448 2.337) 4.046 5.069 ( 0.335 13.415 -2.154) 13.591 5.069 ( 0.335 13.415 2.154) 13.591 5.295 ( -0.049 19.391 -2.340) 19.532 5.295 ( -0.049 19.391 2.340) 19.532 5.413 ( -1.407 17.898 -4.014) 18.396 5.413 ( -1.407 17.898 4.014) 18.396 5.761 ( 2.289 9.527 -4.675) 10.856 5.761 ( 2.289 9.527 4.675) 10.856 5.885 ( 0.982 13.965 -3.746) 14.492 5.885 ( 0.982 13.965 3.746) 14.492 6.161 ( 1.541 10.204 -3.627) 10.939 6.161 ( 1.541 10.204 3.627) 10.939 6.397 ( -2.132 1.109 -3.711) 4.421 6.397 ( -2.132 1.109 3.711) 4.421 7.994 ( 0.977 1.556 -2.342) 2.977 7.994 ( 0.977 1.556 2.342) 2.977 8.119 ( 1.906 1.741 -5.001) 5.628 8.119 ( 1.906 1.741 5.001) 5.628 8.622 ( 3.973 3.695 -3.760) 6.602 8.622 ( 3.973 3.695 3.760) 6.602 8.988 ( -1.365 -0.729 -1.456) 2.125 8.988 ( -1.365 -0.729 1.456) 2.125 9.710 ( 1.065 1.446 -7.154) 7.376 9.710 ( 1.065 1.446 7.154) 7.376 9.853 ( 0.409 -4.432 -2.826) 5.272 9.853 ( 0.409 -4.432 2.826) 5.272 9.959 ( 7.208 -5.701 -8.578) 12.572 9.959 ( 7.208 -5.701 8.578) 12.572 10.342 ( 4.436 5.829 -2.546) 7.755 10.342 ( 4.436 5.829 2.546) 7.755 10.761 ( -3.122 5.375 -7.111) 9.445 10.761 ( -3.122 5.375 7.111) 9.445 11.078 ( -12.435 -0.521 -4.701) 13.304 11.078 ( -12.435 -0.521 4.701) 13.304 11.612 ( -7.795 3.661 -2.208) 8.890 11.612 ( -7.795 3.661 2.208) 8.890 11.758 ( -3.679 0.060 -3.249) 4.909 11.758 ( -3.679 0.060 3.249) 4.909 12.065 ( 9.241 -12.030 -5.581) 16.163 12.065 ( 9.241 -12.030 5.581) 16.163 12.307 ( 2.962 5.779 -5.139) 8.282 12.307 ( 2.962 5.779 5.139) 8.282 12.798 ( 3.653 -12.946 -3.854) 13.993 12.798 ( 3.653 -12.946 3.854) 13.993 12.958 ( -1.315 -0.886 -2.966) 3.363 12.958 ( -1.315 -0.886 2.966) 3.363 13.189 ( -4.391 -1.716 -2.514) 5.343 13.189 ( -4.391 -1.716 2.514) 5.343 13.450 ( -2.833 -0.985 -4.743) 5.612 13.450 ( -2.833 -0.985 4.743) 5.612 15.884 ( 1.472 -1.795 -3.638) 4.316 15.884 ( 1.472 -1.795 3.638) 4.316 16.296 ( -0.229 -3.364 -4.590) 5.695 16.296 ( -0.229 -3.364 4.590) 5.695 16.606 ( 0.824 -13.284 -3.464) 13.753 16.606 ( 0.824 -13.284 3.464) 13.753 16.694 ( 0.355 -7.358 -4.660) 8.717 16.694 ( 0.355 -7.358 4.660) 8.717======================= Grid point 204 (66/72) =======================q-point: ( 0.40 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( 3.948 8.266 -0.311) 9.166 2.335 ( 3.948 8.266 0.311) 9.166 2.450 ( -4.556 6.088 -0.576) 7.626 2.450 ( -4.556 6.088 0.576) 7.626 2.732 ( 2.900 2.908 -3.413) 5.340 2.732 ( 2.900 2.908 3.413) 5.340 2.841 ( 0.540 4.353 -3.909) 5.875 2.841 ( 0.540 4.353 3.909) 5.875 3.116 ( -0.330 9.699 -2.072) 9.924 3.116 ( -0.330 9.699 2.072) 9.924 3.338 ( 0.389 1.822 -3.239) 3.737 3.338 ( 0.389 1.822 3.239) 3.737 3.579 ( -1.398 2.797 -1.948) 3.684 3.579 ( -1.398 2.797 1.948) 3.684 3.731 ( -5.199 -1.617 -3.598) 6.526 3.731 ( -5.199 -1.617 3.598) 6.526 4.171 ( 2.321 1.399 -5.838) 6.436 4.171 ( 2.321 1.399 5.838) 6.436 4.276 ( 1.837 -5.971 -5.997) 8.659 4.276 ( 1.837 -5.971 5.997) 8.659 4.489 ( 0.722 7.899 -1.338) 8.044 4.489 ( 0.722 7.899 1.338) 8.044 4.678 ( -3.856 6.688 -1.622) 7.889 4.678 ( -3.856 6.688 1.622) 7.889 4.948 ( 2.552 5.051 -2.507) 6.189 4.948 ( 2.552 5.051 2.507) 6.189 5.074 ( 0.026 6.461 -2.430) 6.903 5.074 ( 0.026 6.461 2.430) 6.903 5.306 ( 1.153 19.745 -2.935) 19.995 5.306 ( 1.153 19.745 2.935) 19.995 5.369 ( -2.383 17.795 -3.862) 18.365 5.369 ( -2.383 17.795 3.862) 18.365 5.818 ( 2.572 19.409 -3.454) 19.881 5.818 ( 2.572 19.409 3.454) 19.881 5.886 ( -0.872 9.923 -3.158) 10.449 5.886 ( -0.872 9.923 3.158) 10.449 6.205 ( 2.222 7.503 -2.269) 8.147 6.205 ( 2.222 7.503 2.269) 8.147 6.346 ( -2.313 1.347 -2.185) 3.455 6.346 ( -2.313 1.347 2.185) 3.455 8.001 ( -0.039 0.462 -0.268) 0.536 8.001 ( -0.039 0.462 0.268) 0.536 8.172 ( 2.268 1.270 -1.677) 3.094 8.172 ( 2.268 1.270 1.677) 3.094 8.693 ( 2.321 5.004 -4.089) 6.866 8.693 ( 2.321 5.004 4.089) 6.866 8.953 ( -1.695 1.828 -2.948) 3.861 8.953 ( -1.695 1.828 2.948) 3.861 9.755 ( 2.673 -2.568 -4.334) 5.703 9.755 ( 2.673 -2.568 4.334) 5.703 9.866 ( 0.813 -2.106 -3.133) 3.861 9.866 ( 0.813 -2.106 3.133) 3.861 10.093 ( 3.707 -5.237 -3.984) 7.552 10.093 ( 3.707 -5.237 3.984) 7.552 10.455 ( 4.683 -1.729 -3.320) 5.995 10.455 ( 4.683 -1.729 3.320) 5.995 10.689 ( 0.102 1.854 -4.082) 4.485 10.689 ( 0.102 1.854 4.082) 4.485 10.843 ( -10.625 4.026 -3.647) 11.933 10.843 ( -10.625 4.026 3.647) 11.933 11.418 ( -7.467 6.516 -1.729) 10.060 11.418 ( -7.467 6.516 1.729) 10.060 11.737 ( 0.178 -1.070 -0.875) 1.393 11.737 ( 0.178 -1.070 0.875) 1.393 12.216 ( 4.553 -4.409 -4.762) 7.927 12.216 ( 4.553 -4.409 4.762) 7.927 12.366 ( 2.019 -1.513 -4.270) 4.959 12.366 ( 2.019 -1.513 4.270) 4.959 12.834 ( -0.101 -8.400 -3.239) 9.004 12.834 ( -0.101 -8.400 3.239) 9.004 12.973 ( 3.393 0.712 -3.783) 5.132 12.973 ( 3.393 0.712 3.783) 5.132 13.075 ( -6.113 -2.595 -3.050) 7.308 13.075 ( -6.113 -2.595 3.050) 7.308 13.404 ( -1.297 -3.187 -2.264) 4.119 13.404 ( -1.297 -3.187 2.264) 4.119 15.909 ( 0.768 -2.509 -1.278) 2.919 15.909 ( 0.768 -2.509 1.278) 2.919 16.300 ( 0.358 -5.320 -1.678) 5.590 16.300 ( 0.358 -5.320 1.678) 5.590 16.600 ( -0.715 -7.975 -1.553) 8.156 16.600 ( -0.715 -7.975 1.553) 8.156 16.715 ( 1.027 -10.055 -1.633) 10.238 16.715 ( 1.027 -10.055 1.633) 10.238======================= Grid point 210 (67/72) =======================q-point: ( 0.00 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.422 ( 0.000 7.101 -0.691) 7.135 2.422 ( 0.000 7.101 0.691) 7.135 2.605 ( 0.000 3.908 -1.989) 4.386 2.605 ( 0.000 3.908 1.989) 4.386 2.672 ( 0.000 0.832 -1.646) 1.844 2.672 ( 0.000 0.832 1.646) 1.844 2.932 ( 0.000 1.339 -1.385) 1.926 2.932 ( 0.000 1.339 1.385) 1.926 3.296 ( 0.000 9.705 -4.320) 10.623 3.296 ( 0.000 9.705 4.320) 10.623 3.409 ( 0.000 5.003 -2.585) 5.632 3.409 ( 0.000 5.003 2.585) 5.632 3.671 ( 0.000 -1.799 -1.663) 2.451 3.671 ( 0.000 -1.799 1.663) 2.451 3.861 ( 0.000 -6.452 -5.716) 8.620 3.861 ( 0.000 -6.452 5.716) 8.620 3.914 ( 0.000 -6.464 -4.687) 7.984 3.914 ( 0.000 -6.464 4.687) 7.984 4.132 ( 0.000 -2.873 -0.174) 2.878 4.132 ( 0.000 -2.873 0.174) 2.878 4.521 ( 0.000 -0.107 -0.820) 0.827 4.521 ( 0.000 -0.107 0.820) 0.827 4.812 ( 0.000 -5.379 -2.127) 5.784 4.812 ( 0.000 -5.379 2.127) 5.784 4.975 ( 0.000 8.789 -1.498) 8.916 4.975 ( 0.000 8.789 1.498) 8.916 5.344 ( 0.000 10.643 -3.056) 11.073 5.344 ( 0.000 10.643 3.056) 11.073 5.627 ( 0.000 13.377 -4.929) 14.256 5.627 ( 0.000 13.377 4.929) 14.256 5.665 ( 0.000 3.870 -1.448) 4.132 5.665 ( 0.000 3.870 1.448) 4.132 5.902 ( 0.000 14.800 -2.060) 14.943 5.902 ( 0.000 14.800 2.060) 14.943 6.195 ( 0.000 14.312 -1.792) 14.424 6.195 ( 0.000 14.312 1.792) 14.424 6.331 ( 0.000 4.052 -1.138) 4.209 6.331 ( 0.000 4.052 1.138) 4.209 6.457 ( 0.000 4.556 -1.881) 4.929 6.457 ( 0.000 4.556 1.881) 4.929 8.046 ( 0.000 3.275 -2.987) 4.432 8.046 ( 0.000 3.275 2.987) 4.432 8.153 ( 0.000 3.989 -5.295) 6.629 8.153 ( 0.000 3.989 5.295) 6.629 8.649 ( 0.000 3.269 -2.204) 3.942 8.649 ( 0.000 3.269 2.204) 3.942 8.930 ( 0.000 -4.018 -0.108) 4.020 8.930 ( 0.000 -4.018 0.108) 4.020 9.657 ( 0.000 -4.274 -3.856) 5.756 9.657 ( 0.000 -4.274 3.856) 5.756 9.772 ( 0.000 -2.060 -3.835) 4.353 9.772 ( 0.000 -2.060 3.835) 4.353 9.971 ( 0.000 9.930 -7.878) 12.675 9.971 ( 0.000 9.930 7.878) 12.675 10.422 ( 0.000 6.743 -3.181) 7.456 10.422 ( 0.000 6.743 3.181) 7.456 10.866 ( 0.000 -1.104 -11.094) 11.149 10.866 ( 0.000 -1.104 11.094) 11.149 11.139 ( 0.000 -8.530 -5.837) 10.336 11.139 ( 0.000 -8.530 5.837) 10.336 11.565 ( 0.000 -11.313 -1.794) 11.454 11.565 ( 0.000 -11.313 1.794) 11.454 11.717 ( 0.000 -2.173 -3.922) 4.484 11.717 ( 0.000 -2.173 3.922) 4.484 11.916 ( 0.000 2.504 -10.434) 10.730 11.916 ( 0.000 2.504 10.434) 10.730 12.382 ( 0.000 -2.464 -5.549) 6.071 12.382 ( 0.000 -2.464 5.549) 6.071 12.466 ( 0.000 -7.486 -2.653) 7.942 12.466 ( 0.000 -7.486 2.653) 7.942 12.926 ( 0.000 -1.879 -8.980) 9.174 12.926 ( 0.000 -1.879 8.980) 9.174 13.272 ( 0.000 4.071 -0.971) 4.185 13.272 ( 0.000 4.071 0.971) 4.185 13.488 ( 0.000 -0.468 -4.492) 4.516 13.488 ( 0.000 -0.468 4.492) 4.516 15.860 ( 0.000 0.693 -4.599) 4.651 15.860 ( 0.000 0.693 4.599) 4.651 16.240 ( 0.000 -5.302 -4.241) 6.790 16.240 ( 0.000 -5.302 4.241) 6.790 16.343 ( 0.000 -7.455 -1.809) 7.671 16.343 ( 0.000 -7.455 1.809) 7.671 16.625 ( 0.000 -1.390 -2.819) 3.144 16.625 ( 0.000 -1.390 2.819) 3.144======================= Grid point 212 (68/72) =======================q-point: ( 0.20 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.441 ( 1.747 7.272 -0.324) 7.486 2.441 ( 1.747 7.272 0.324) 7.486 2.595 ( -1.311 2.933 -1.821) 3.693 2.595 ( -1.311 2.933 1.821) 3.693 2.692 ( 2.068 1.217 -2.644) 3.570 2.692 ( 2.068 1.217 2.644) 3.570 2.907 ( -2.113 0.224 -0.868) 2.295 2.907 ( -2.113 0.224 0.868) 2.295 3.325 ( 1.690 10.069 -4.939) 11.342 3.325 ( 1.690 10.069 4.939) 11.342 3.384 ( -0.907 4.923 -6.524) 8.223 3.384 ( -0.907 4.923 6.524) 8.223 3.671 ( -1.073 0.543 -2.195) 2.503 3.671 ( -1.073 0.543 2.195) 2.503 3.791 ( -4.620 -3.688 -1.991) 6.238 3.791 ( -4.620 -3.688 1.991) 6.238 3.969 ( 4.454 -7.718 -3.748) 9.667 3.969 ( 4.454 -7.718 3.748) 9.667 4.151 ( 0.978 -5.280 -3.566) 6.446 4.151 ( 0.978 -5.280 3.566) 6.446 4.525 ( 0.596 0.377 -2.288) 2.394 4.525 ( 0.596 0.377 2.288) 2.394 4.789 ( -2.541 -4.292 -3.213) 5.933 4.789 ( -2.541 -4.292 3.213) 5.933 5.006 ( 3.176 8.152 -0.603) 8.769 5.006 ( 3.176 8.152 0.603) 8.769 5.300 ( -3.801 9.909 -2.078) 10.814 5.300 ( -3.801 9.909 2.078) 10.814 5.626 ( -1.393 11.679 -1.876) 11.911 5.626 ( -1.393 11.679 1.876) 11.911 5.649 ( 0.194 7.239 -4.335) 8.440 5.649 ( 0.194 7.239 4.335) 8.440 5.957 ( 4.329 12.624 -1.850) 13.474 5.957 ( 4.329 12.624 1.850) 13.474 6.211 ( 1.292 14.816 -1.667) 14.965 6.211 ( 1.292 14.816 1.667) 14.965 6.328 ( -0.112 3.375 -1.435) 3.669 6.328 ( -0.112 3.375 1.435) 3.669 6.442 ( -1.380 5.406 -1.984) 5.921 6.442 ( -1.380 5.406 1.984) 5.921 8.039 ( -0.541 2.944 -1.510) 3.353 8.039 ( -0.541 2.944 1.510) 3.353 8.172 ( 1.682 2.832 -3.521) 4.821 8.172 ( 1.682 2.832 3.521) 4.821 8.706 ( 5.128 4.811 -2.512) 7.466 8.706 ( 5.128 4.811 2.512) 7.466 8.960 ( 2.586 -1.868 -0.933) 3.324 8.960 ( 2.586 -1.868 0.933) 3.324 9.702 ( 2.896 -4.877 -3.214) 6.520 9.702 ( 2.896 -4.877 3.214) 6.520 9.790 ( 1.598 -0.658 -4.843) 5.142 9.790 ( 1.598 -0.658 4.843) 5.142 9.926 ( -1.841 4.279 -4.762) 6.661 9.926 ( -1.841 4.279 4.762) 6.661 10.445 ( -0.047 3.802 -0.997) 3.931 10.445 ( -0.047 3.802 0.997) 3.931 10.766 ( -7.551 -3.899 -5.296) 10.014 10.766 ( -7.551 -3.899 5.296) 10.014 11.080 ( -4.039 1.219 -2.213) 4.764 11.080 ( -4.039 1.219 2.213) 4.764 11.591 ( 1.296 -9.809 -2.701) 10.257 11.591 ( 1.296 -9.809 2.701) 10.257 11.714 ( -5.043 0.343 -4.819) 6.984 11.714 ( -5.043 0.343 4.819) 6.984 11.893 ( 3.646 -3.950 -6.898) 8.745 11.893 ( 3.646 -3.950 6.898) 8.745 12.331 ( -3.672 -7.369 -7.595) 11.201 12.331 ( -3.672 -7.369 7.595) 11.201 12.587 ( 9.089 -2.353 -4.099) 10.245 12.587 ( 9.089 -2.353 4.099) 10.245 12.961 ( 3.101 -0.235 -7.942) 8.529 12.961 ( 3.101 -0.235 7.942) 8.529 13.226 ( -4.706 3.934 -0.416) 6.148 13.226 ( -4.706 3.934 0.416) 6.148 13.426 ( -5.258 -1.534 -5.761) 7.950 13.426 ( -5.258 -1.534 5.761) 7.950 15.870 ( 0.865 0.367 -3.387) 3.515 15.870 ( 0.865 0.367 3.387) 3.515 16.201 ( -2.486 -6.260 -2.371) 7.141 16.201 ( -2.486 -6.260 2.371) 7.141 16.405 ( 4.618 -6.069 -3.756) 8.500 16.405 ( 4.618 -6.069 3.756) 8.500 16.620 ( -0.599 -1.486 -3.045) 3.440 16.620 ( -0.599 -1.486 3.045) 3.440======================= Grid point 214 (69/72) =======================q-point: ( 0.40 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.486 ( 2.486 6.954 -0.701) 7.418 2.486 ( 2.486 6.954 0.701) 7.418 2.552 ( -2.591 4.345 -1.222) 5.205 2.552 ( -2.591 4.345 1.222) 5.205 2.743 ( 2.282 -0.687 -2.967) 3.806 2.743 ( 2.282 -0.687 2.967) 3.806 2.864 ( -1.706 -1.718 -2.230) 3.292 2.864 ( -1.706 -1.718 2.230) 3.292 3.327 ( -0.208 10.168 -0.804) 10.202 3.327 ( -0.208 10.168 0.804) 10.202 3.405 ( 0.977 4.610 -1.247) 4.874 3.405 ( 0.977 4.610 1.247) 4.874 3.645 ( 0.254 3.524 -1.941) 4.032 3.645 ( 0.254 3.524 1.941) 4.032 3.706 ( -3.827 0.292 -0.508) 3.872 3.706 ( -3.827 0.292 0.508) 3.872 4.071 ( 4.751 -9.013 -7.845) 12.859 4.071 ( 4.751 -9.013 7.845) 12.859 4.145 ( -1.793 -7.267 -8.165) 11.077 4.145 ( -1.793 -7.267 8.165) 11.077 4.549 ( 1.488 0.373 -2.649) 3.061 4.549 ( 1.488 0.373 2.649) 3.061 4.721 ( -3.118 -2.168 -2.923) 4.793 4.721 ( -3.118 -2.168 2.923) 4.793 5.091 ( 4.536 7.997 -0.746) 9.224 5.091 ( 4.536 7.997 0.746) 9.224 5.213 ( -4.315 7.583 -0.944) 8.775 5.213 ( -4.315 7.583 0.944) 8.775 5.601 ( -0.616 9.566 -1.414) 9.690 5.601 ( -0.616 9.566 1.414) 9.690 5.656 ( 0.120 10.943 -2.354) 11.195 5.656 ( 0.120 10.943 2.354) 11.195 6.034 ( 2.543 10.355 -0.691) 10.685 6.034 ( 2.543 10.355 0.691) 10.685 6.227 ( 0.075 15.251 -0.729) 15.268 6.227 ( 0.075 15.251 0.729) 15.268 6.338 ( 1.052 1.704 -1.670) 2.608 6.338 ( 1.052 1.704 1.670) 2.608 6.409 ( -1.619 7.873 -1.734) 8.223 6.409 ( -1.619 7.873 1.734) 8.223 8.030 ( -0.281 2.552 -0.293) 2.584 8.030 ( -0.281 2.552 0.293) 2.584 8.203 ( 1.000 0.919 -1.132) 1.768 8.203 ( 1.000 0.919 1.132) 1.768 8.819 ( 4.809 7.624 -2.352) 9.315 8.819 ( 4.809 7.624 2.352) 9.315 8.993 ( -0.168 2.410 -1.890) 3.067 8.993 ( -0.168 2.410 1.890) 3.067 9.739 ( 1.105 0.144 -2.980) 3.181 9.739 ( 1.105 0.144 2.980) 3.181 9.814 ( 1.462 -2.109 -3.568) 4.395 9.814 ( 1.462 -2.109 3.568) 4.395 9.962 ( 2.746 -7.131 -3.374) 8.353 9.962 ( 2.746 -7.131 3.374) 8.353 10.339 ( -7.262 -9.918 -3.424) 12.760 10.339 ( -7.262 -9.918 3.424) 12.760 10.711 ( 1.416 3.440 -2.761) 4.633 10.711 ( 1.416 3.440 2.761) 4.633 10.997 ( -3.694 9.537 -2.396) 10.504 10.997 ( -3.694 9.537 2.396) 10.504 11.568 ( -4.122 7.385 -2.323) 8.771 11.568 ( -4.122 7.385 2.323) 8.771 11.620 ( -0.175 -9.750 -3.475) 10.353 11.620 ( -0.175 -9.750 3.475) 10.353 12.028 ( 6.496 -11.619 -4.605) 14.085 12.028 ( 6.496 -11.619 4.605) 14.085 12.242 ( -4.626 -10.224 -4.999) 12.285 12.242 ( -4.626 -10.224 4.999) 12.285 12.778 ( 8.791 2.304 -2.772) 9.501 12.778 ( 8.791 2.304 2.772) 9.501 13.003 ( -1.703 2.398 -0.766) 3.039 13.003 ( -1.703 2.398 0.766) 3.039 13.114 ( -3.327 3.342 -2.632) 5.400 13.114 ( -3.327 3.342 2.632) 5.400 13.328 ( -3.434 -4.317 -4.219) 6.945 13.328 ( -3.434 -4.317 4.219) 6.945 15.886 ( 0.506 0.216 -1.114) 1.243 15.886 ( 0.506 0.216 1.114) 1.243 16.163 ( -1.045 -7.788 -0.724) 7.891 16.163 ( -1.045 -7.788 0.724) 7.891 16.493 ( 3.344 -2.982 -3.082) 5.438 16.493 ( 3.344 -2.982 3.082) 5.438 16.599 ( -1.389 -2.889 -2.582) 4.116 16.599 ( -1.389 -2.889 2.582) 4.116======================= Grid point 220 (70/72) =======================q-point: ( 0.00 0.47 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.506 ( 0.000 1.743 -0.376) 1.783 2.506 ( 0.000 1.743 0.376) 1.783 2.664 ( 0.000 0.736 -0.530) 0.907 2.664 ( 0.000 0.736 0.530) 0.907 2.737 ( 0.000 6.585 -2.398) 7.008 2.737 ( 0.000 6.585 2.398) 7.008 2.873 ( 0.000 -5.965 -2.621) 6.515 2.873 ( 0.000 -5.965 2.621) 6.515 3.472 ( 0.000 8.102 -3.087) 8.670 3.472 ( 0.000 8.102 3.087) 8.670 3.545 ( 0.000 6.353 -5.424) 8.353 3.545 ( 0.000 6.353 5.424) 8.353 3.618 ( 0.000 -3.169 -2.643) 4.126 3.618 ( 0.000 -3.169 2.643) 4.126 3.725 ( 0.000 -6.998 -3.963) 8.043 3.725 ( 0.000 -6.998 3.963) 8.043 3.810 ( 0.000 -3.201 -2.337) 3.964 3.810 ( 0.000 -3.201 2.337) 3.964 4.075 ( 0.000 -2.054 -0.113) 2.057 4.075 ( 0.000 -2.054 0.113) 2.057 4.545 ( 0.000 2.199 -0.496) 2.255 4.545 ( 0.000 2.199 0.496) 2.255 4.700 ( 0.000 -4.779 -1.792) 5.104 4.700 ( 0.000 -4.779 1.792) 5.104 5.096 ( 0.000 3.214 -0.277) 3.226 5.096 ( 0.000 3.214 0.277) 3.226 5.485 ( 0.000 3.640 -1.187) 3.828 5.485 ( 0.000 3.640 1.187) 3.828 5.688 ( 0.000 0.621 -0.796) 1.009 5.688 ( 0.000 0.621 0.796) 1.009 5.826 ( 0.000 5.062 -0.851) 5.133 5.826 ( 0.000 5.062 0.851) 5.133 6.139 ( 0.000 7.771 -0.490) 7.786 6.139 ( 0.000 7.771 0.490) 7.786 6.324 ( 0.000 -2.244 -1.469) 2.682 6.324 ( 0.000 -2.244 1.469) 2.682 6.394 ( 0.000 5.369 -1.016) 5.465 6.394 ( 0.000 5.369 1.016) 5.465 6.558 ( 0.000 3.298 -0.507) 3.337 6.558 ( 0.000 3.298 0.507) 3.337 8.103 ( 0.000 2.050 -1.185) 2.368 8.103 ( 0.000 2.050 1.185) 2.368 8.213 ( 0.000 1.502 -2.169) 2.638 8.213 ( 0.000 1.502 2.169) 2.638 8.703 ( 0.000 2.114 -1.224) 2.443 8.703 ( 0.000 2.114 1.224) 2.443 8.858 ( 0.000 -2.753 -0.043) 2.753 8.858 ( 0.000 -2.753 0.043) 2.753 9.596 ( 0.000 -1.593 -1.071) 1.919 9.596 ( 0.000 -1.593 1.071) 1.919 9.743 ( 0.000 -0.811 -1.285) 1.519 9.743 ( 0.000 -0.811 1.285) 1.519 10.220 ( 0.000 13.004 -9.203) 15.931 10.220 ( 0.000 13.004 9.203) 15.931 10.525 ( 0.000 0.661 -6.015) 6.051 10.525 ( 0.000 0.661 6.015) 6.051 10.736 ( 0.000 -7.277 -1.036) 7.350 10.736 ( 0.000 -7.277 1.036) 7.350 10.985 ( 0.000 -5.630 -5.444) 7.831 10.985 ( 0.000 -5.630 5.444) 7.831 11.469 ( 0.000 0.740 -3.183) 3.268 11.469 ( 0.000 0.740 3.183) 3.268 11.607 ( 0.000 -6.762 -0.705) 6.799 11.607 ( 0.000 -6.762 0.705) 6.799 12.009 ( 0.000 6.381 -9.593) 11.522 12.009 ( 0.000 6.381 9.593) 11.522 12.184 ( 0.000 -9.264 -8.872) 12.827 12.184 ( 0.000 -9.264 8.872) 12.827 12.494 ( 0.000 1.697 -0.343) 1.731 12.494 ( 0.000 1.697 0.343) 1.731 12.897 ( 0.000 -0.883 -3.888) 3.987 12.897 ( 0.000 -0.883 3.888) 3.987 13.354 ( 0.000 3.312 -0.340) 3.329 13.354 ( 0.000 3.312 0.340) 3.329 13.465 ( 0.000 -1.587 -2.108) 2.638 13.465 ( 0.000 -1.587 2.108) 2.638 15.882 ( 0.000 1.070 -2.362) 2.593 15.882 ( 0.000 1.070 2.362) 2.593 16.124 ( 0.000 -4.034 -0.176) 4.037 16.124 ( 0.000 -4.034 0.176) 4.037 16.282 ( 0.000 -0.850 -0.328) 0.911 16.282 ( 0.000 -0.850 0.328) 0.911 16.614 ( 0.000 -0.106 -1.030) 1.036 16.614 ( 0.000 -0.106 1.030) 1.036======================= Grid point 222 (71/72) =======================q-point: ( 0.20 0.47 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 2.521 2.048 -0.634) 3.310 2.533 ( 2.521 2.048 0.634) 3.310 2.646 ( -1.246 1.551 -1.280) 2.366 2.646 ( -1.246 1.551 1.280) 2.366 2.741 ( 0.002 4.510 -0.567) 4.545 2.741 ( 0.002 4.510 0.567) 4.545 2.847 ( -2.275 -5.225 -1.511) 5.896 2.847 ( -2.275 -5.225 1.511) 5.896 3.474 ( -0.630 6.141 -5.589) 8.327 3.474 ( -0.630 6.141 5.589) 8.327 3.520 ( -1.310 4.996 -3.562) 6.274 3.520 ( -1.310 4.996 3.562) 6.274 3.645 ( 1.820 -2.279 -0.561) 2.970 3.645 ( 1.820 -2.279 0.561) 2.970 3.740 ( 2.894 -2.381 -0.947) 3.866 3.740 ( 2.894 -2.381 0.947) 3.866 3.851 ( 2.477 -2.693 -0.909) 3.770 3.851 ( 2.477 -2.693 0.909) 3.770 4.043 ( -2.769 -4.339 -2.096) 5.558 4.043 ( -2.769 -4.339 2.096) 5.558 4.554 ( 0.684 2.427 -1.123) 2.760 4.554 ( 0.684 2.427 1.123) 2.760 4.684 ( -1.587 -4.874 -1.975) 5.493 4.684 ( -1.587 -4.874 1.975) 5.493 5.124 ( 2.838 3.227 -0.105) 4.298 5.124 ( 2.838 3.227 0.105) 4.298 5.437 ( -4.387 3.679 -0.798) 5.780 5.437 ( -4.387 3.679 0.798) 5.780 5.697 ( 0.951 1.253 -0.769) 1.751 5.697 ( 0.951 1.253 0.769) 1.751 5.811 ( -1.239 4.438 -1.899) 4.984 5.811 ( -1.239 4.438 1.899) 4.984 6.166 ( 2.283 6.994 -0.701) 7.390 6.166 ( 2.283 6.994 0.701) 7.390 6.321 ( -0.365 -1.774 -1.112) 2.125 6.321 ( -0.365 -1.774 1.112) 2.125 6.417 ( 2.140 5.507 -0.840) 5.968 6.417 ( 2.140 5.507 0.840) 5.968 6.550 ( -0.774 3.340 -0.511) 3.467 6.550 ( -0.774 3.340 0.511) 3.467 8.102 ( -0.097 2.813 -1.001) 2.987 8.102 ( -0.097 2.813 1.001) 2.987 8.196 ( -1.125 -0.395 -1.868) 2.216 8.196 ( -1.125 -0.395 1.868) 2.216 8.803 ( 8.564 4.507 -0.937) 9.723 8.803 ( 8.564 4.507 0.937) 9.723 8.917 ( 5.500 -2.556 -0.170) 6.067 8.917 ( 5.500 -2.556 0.170) 6.067 9.609 ( 1.368 -2.925 -1.118) 3.417 9.609 ( 1.368 -2.925 1.118) 3.417 9.771 ( 2.712 -0.885 -1.315) 3.141 9.771 ( 2.712 -0.885 1.315) 3.141 10.102 ( -9.317 11.166 -6.807) 16.057 10.102 ( -9.317 11.166 6.807) 16.057 10.391 ( -13.599 -9.298 -7.969) 18.300 10.391 ( -13.599 -9.298 7.969) 18.300 10.771 ( 4.887 5.653 -5.551) 9.309 10.771 ( 4.887 5.653 5.551) 9.309 11.046 ( 3.531 -5.974 -2.319) 7.317 11.046 ( 3.531 -5.974 2.319) 7.317 11.469 ( 0.077 1.018 -2.305) 2.521 11.469 ( 0.077 1.018 2.305) 2.521 11.622 ( 1.016 -8.124 -0.880) 8.235 11.622 ( 1.016 -8.124 0.880) 8.235 11.942 ( -4.612 6.759 -6.475) 10.434 11.942 ( -4.612 6.759 6.475) 10.434 12.135 ( -4.259 -9.433 -6.601) 12.276 12.135 ( -4.259 -9.433 6.601) 12.276 12.612 ( 10.017 1.607 -1.091) 10.204 12.612 ( 10.017 1.607 1.091) 10.204 12.950 ( 4.848 -0.511 -3.395) 5.941 12.950 ( 4.848 -0.511 3.395) 5.941 13.309 ( -4.846 3.964 -2.220) 6.642 13.309 ( -4.846 3.964 2.220) 6.642 13.385 ( -6.879 -2.672 -4.055) 8.420 13.385 ( -6.879 -2.672 4.055) 8.420 15.889 ( 0.813 1.057 -1.713) 2.171 15.889 ( 0.813 1.057 1.713) 2.171 16.090 ( -2.957 -3.745 -0.110) 4.773 16.090 ( -2.957 -3.745 0.110) 4.773 16.345 ( 5.480 -1.045 -1.402) 5.753 16.345 ( 5.480 -1.045 1.402) 5.753 16.607 ( -0.918 -0.174 -1.076) 1.425 16.607 ( -0.918 -0.174 1.076) 1.425======================= Grid point 224 (72/72) =======================q-point: ( 0.40 0.47 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( 2.643 2.994 -0.955) 4.106 2.591 ( 2.643 2.994 0.955) 4.106 2.625 ( -0.978 2.762 -1.547) 3.313 2.625 ( -0.978 2.762 1.547) 3.313 2.735 ( -0.273 0.848 -1.451) 1.702 2.735 ( -0.273 0.848 1.451) 1.702 2.799 ( -1.985 -4.260 -0.923) 4.790 2.799 ( -1.985 -4.260 0.923) 4.790 3.461 ( 0.167 3.630 -5.335) 6.455 3.461 ( 0.167 3.630 5.335) 6.455 3.486 ( -1.944 1.816 -3.347) 4.276 3.486 ( -1.944 1.816 3.347) 4.276 3.709 ( 3.789 5.018 -2.640) 6.820 3.709 ( 3.789 5.018 2.640) 6.820 3.787 ( 0.055 5.475 -2.812) 6.155 3.787 ( 0.055 5.475 2.812) 6.155 3.896 ( 2.449 -6.973 -2.908) 7.942 3.896 ( 2.449 -6.973 2.908) 7.942 3.984 ( -2.617 -8.392 -4.003) 9.659 3.984 ( -2.617 -8.392 4.003) 9.659 4.567 ( 0.600 1.994 -1.175) 2.391 4.567 ( 0.600 1.994 1.175) 2.391 4.644 ( -1.834 -4.360 -1.679) 5.019 4.644 ( -1.834 -4.360 1.679) 5.019 5.208 ( 5.336 3.285 -0.115) 6.267 5.208 ( 5.336 3.285 0.115) 6.267 5.328 ( -5.997 3.275 -0.264) 6.838 5.328 ( -5.997 3.275 0.264) 6.838 5.724 ( 1.377 3.610 -1.703) 4.223 5.724 ( 1.377 3.610 1.703) 4.223 5.783 ( -1.319 2.253 -2.071) 3.332 5.783 ( -1.319 2.253 2.071) 3.332 6.212 ( 1.749 6.529 -0.251) 6.764 6.212 ( 1.749 6.529 0.251) 6.764 6.308 ( -0.811 -1.645 -0.452) 1.889 6.308 ( -0.811 -1.645 0.452) 1.889 6.465 ( 2.105 6.118 -0.620) 6.500 6.465 ( 2.105 6.118 0.620) 6.500 6.528 ( -1.289 2.974 -0.487) 3.278 6.528 ( -1.289 2.974 0.487) 3.278 8.099 ( -0.128 4.166 -0.338) 4.182 8.099 ( -0.128 4.166 0.338) 4.182 8.182 ( -0.277 -2.966 -0.688) 3.057 8.182 ( -0.277 -2.966 0.688) 3.057 8.969 ( 6.113 6.548 -0.683) 8.984 8.969 ( 6.113 6.548 0.683) 8.984 9.032 ( 3.685 0.408 -0.507) 3.742 9.032 ( 3.685 0.408 0.507) 3.742 9.678 ( 7.006 -3.768 -0.946) 8.011 9.678 ( 7.006 -3.768 0.946) 8.011 9.837 ( 2.154 -1.968 -0.520) 2.963 9.837 ( 2.154 -1.968 0.520) 2.963 9.900 ( -9.965 6.947 -4.282) 12.880 9.900 ( -9.965 6.947 4.282) 12.880 10.108 ( -10.614 -12.277 -4.959) 16.970 10.108 ( -10.614 -12.277 4.959) 16.970 10.862 ( 2.844 11.146 -2.231) 11.718 10.862 ( 2.844 11.146 2.231) 11.718 11.088 ( 0.853 -5.065 -0.418) 5.153 11.088 ( 0.853 -5.065 0.418) 5.153 11.473 ( 0.220 1.883 -0.704) 2.022 11.473 ( 0.220 1.883 0.704) 2.022 11.628 ( -0.366 -6.262 -0.503) 6.293 11.628 ( -0.366 -6.262 0.503) 6.293 11.892 ( -0.131 2.389 -2.959) 3.806 11.892 ( -0.131 2.389 2.959) 3.806 12.044 ( -3.682 -9.228 -3.040) 10.390 12.044 ( -3.682 -9.228 3.040) 10.390 12.841 ( 11.791 2.524 -1.224) 12.120 12.841 ( 11.791 2.524 1.224) 12.120 13.039 ( -0.300 0.788 -0.690) 1.090 13.039 ( -0.300 0.788 0.690) 1.090 13.166 ( -4.729 1.761 -2.657) 5.703 13.166 ( -4.729 1.761 2.657) 5.703 13.254 ( -5.749 -2.597 -4.007) 7.473 13.254 ( -5.749 -2.597 4.007) 7.473 15.914 ( 1.390 2.334 -0.652) 2.794 15.914 ( 1.390 2.334 0.652) 2.794 16.028 ( -2.467 -5.200 -0.071) 5.756 16.028 ( -2.467 -5.200 0.071) 5.756 16.466 ( 5.737 -0.331 -1.353) 5.904 16.466 ( 5.737 -0.331 1.354) 5.904 16.567 ( -3.238 -0.696 -1.153) 3.507 16.567 ( -3.238 -0.696 1.153) 3.507=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25200 10.0 2796.968 2717.204 1906.195 0.000 0.000 -0.000 3/25200 20.0 361.519 545.541 385.865 0.000 0.000 -0.000 3/25200 30.0 108.638 206.479 118.560 0.000 0.000 -0.000 3/25200 40.0 51.754 116.855 57.248 0.000 0.000 -0.000 3/25200 50.0 31.407 79.782 35.221 0.000 0.000 -0.000 3/25200 60.0 21.795 59.639 24.718 0.000 0.000 -0.000 3/25200 70.0 16.394 46.948 18.744 0.000 0.000 -0.000 3/25200 80.0 13.001 38.267 14.942 0.000 0.000 -0.000 3/25200 90.0 10.703 32.021 12.338 0.000 0.000 -0.000 3/25200 100.0 9.060 27.364 10.459 0.000 0.000 -0.000 3/25200 110.0 7.838 23.794 9.049 0.000 0.000 -0.000 3/25200 120.0 6.899 20.994 7.959 0.000 0.000 -0.000 3/25200 130.0 6.158 18.752 7.096 0.000 0.000 -0.000 3/25200 140.0 5.560 16.927 6.397 0.000 0.000 -0.000 3/25200 150.0 5.069 15.418 5.822 0.000 0.000 -0.000 3/25200 160.0 4.659 14.152 5.341 0.000 0.000 -0.000 3/25200 170.0 4.311 13.078 4.933 0.000 0.000 -0.000 3/25200 180.0 4.013 12.156 4.584 0.000 0.000 -0.000 3/25200 190.0 3.755 11.357 4.282 0.000 0.000 -0.000 3/25200 200.0 3.528 10.658 4.017 0.000 0.000 -0.000 3/25200 210.0 3.329 10.042 3.784 0.000 0.000 -0.000 3/25200 220.0 3.151 9.495 3.577 0.000 0.000 -0.000 3/25200 230.0 2.992 9.006 3.393 0.000 0.000 -0.000 3/25200 240.0 2.849 8.566 3.226 0.000 0.000 -0.000 3/25200 250.0 2.720 8.169 3.076 0.000 0.000 -0.000 3/25200 260.0 2.602 7.808 2.940 0.000 0.000 -0.000 3/25200 270.0 2.494 7.479 2.815 0.000 0.000 -0.000 3/25200 280.0 2.395 7.177 2.701 0.000 0.000 -0.000 3/25200 290.0 2.304 6.899 2.596 0.000 0.000 -0.000 3/25200 300.0 2.220 6.643 2.499 0.000 0.000 -0.000 3/25200 310.0 2.142 6.405 2.409 0.000 0.000 -0.000 3/25200 320.0 2.069 6.185 2.326 0.000 0.000 -0.000 3/25200 330.0 2.001 5.980 2.249 0.000 0.000 -0.000 3/25200 340.0 1.938 5.788 2.176 0.000 0.000 -0.000 3/25200 350.0 1.879 5.608 2.108 0.000 0.000 -0.000 3/25200 360.0 1.823 5.440 2.045 0.000 0.000 -0.000 3/25200 370.0 1.771 5.282 1.985 0.000 0.000 -0.000 3/25200 380.0 1.721 5.133 1.929 0.000 0.000 -0.000 3/25200 390.0 1.674 4.992 1.876 0.000 0.000 -0.000 3/25200 400.0 1.630 4.859 1.825 0.000 0.000 -0.000 3/25200 410.0 1.588 4.733 1.778 0.000 0.000 -0.000 3/25200 420.0 1.549 4.614 1.733 0.000 0.000 -0.000 3/25200 430.0 1.511 4.501 1.690 0.000 0.000 -0.000 3/25200 440.0 1.475 4.393 1.649 0.000 0.000 -0.000 3/25200 450.0 1.441 4.290 1.611 0.000 0.000 -0.000 3/25200 460.0 1.408 4.192 1.574 0.000 0.000 -0.000 3/25200 470.0 1.377 4.099 1.539 0.000 0.000 -0.000 3/25200 480.0 1.347 4.010 1.505 0.000 0.000 -0.000 3/25200 490.0 1.319 3.924 1.473 0.000 0.000 -0.000 3/25200 500.0 1.292 3.842 1.442 0.000 0.000 -0.000 3/25200 510.0 1.265 3.764 1.413 0.000 0.000 -0.000 3/25200 520.0 1.240 3.689 1.384 0.000 0.000 -0.000 3/25200 530.0 1.216 3.617 1.357 0.000 0.000 -0.000 3/25200 540.0 1.193 3.547 1.331 0.000 0.000 -0.000 3/25200 550.0 1.171 3.481 1.306 0.000 0.000 -0.000 3/25200 560.0 1.149 3.416 1.282 0.000 0.000 -0.000 3/25200 570.0 1.128 3.355 1.258 0.000 0.000 -0.000 3/25200 580.0 1.108 3.295 1.236 0.000 0.000 -0.000 3/25200 590.0 1.089 3.237 1.214 0.000 0.000 -0.000 3/25200 600.0 1.071 3.182 1.193 0.000 0.000 -0.000 3/25200 610.0 1.053 3.128 1.173 0.000 0.000 -0.000 3/25200 620.0 1.035 3.077 1.154 0.000 0.000 -0.000 3/25200 630.0 1.019 3.026 1.135 0.000 0.000 -0.000 3/25200 640.0 1.002 2.978 1.117 0.000 0.000 -0.000 3/25200 650.0 0.987 2.931 1.099 0.000 0.000 -0.000 3/25200 660.0 0.971 2.886 1.082 0.000 0.000 -0.000 3/25200 670.0 0.957 2.842 1.065 0.000 0.000 -0.000 3/25200 680.0 0.942 2.799 1.049 0.000 0.000 -0.000 3/25200 690.0 0.928 2.757 1.034 0.000 0.000 -0.000 3/25200 700.0 0.915 2.717 1.019 0.000 0.000 -0.000 3/25200 710.0 0.902 2.678 1.004 0.000 0.000 -0.000 3/25200 720.0 0.889 2.640 0.990 0.000 0.000 -0.000 3/25200 730.0 0.877 2.603 0.976 0.000 0.000 -0.000 3/25200 740.0 0.865 2.568 0.962 0.000 0.000 -0.000 3/25200 750.0 0.853 2.533 0.949 0.000 0.000 -0.000 3/25200 760.0 0.841 2.499 0.937 0.000 0.000 -0.000 3/25200 770.0 0.830 2.466 0.924 0.000 0.000 -0.000 3/25200 780.0 0.820 2.434 0.912 0.000 0.000 -0.000 3/25200 790.0 0.809 2.402 0.900 0.000 0.000 -0.000 3/25200 800.0 0.799 2.372 0.889 0.000 0.000 -0.000 3/25200 810.0 0.789 2.342 0.878 0.000 0.000 -0.000 3/25200 820.0 0.779 2.313 0.867 0.000 0.000 -0.000 3/25200 830.0 0.770 2.285 0.856 0.000 0.000 -0.000 3/25200 840.0 0.760 2.257 0.846 0.000 0.000 -0.000 3/25200 850.0 0.751 2.230 0.836 0.000 0.000 -0.000 3/25200 860.0 0.742 2.204 0.826 0.000 0.000 -0.000 3/25200 870.0 0.734 2.178 0.816 0.000 0.000 -0.000 3/25200 880.0 0.725 2.153 0.807 0.000 0.000 -0.000 3/25200 890.0 0.717 2.129 0.798 0.000 0.000 -0.000 3/25200 900.0 0.709 2.105 0.789 0.000 0.000 -0.000 3/25200 910.0 0.701 2.081 0.780 0.000 0.000 -0.000 3/25200 920.0 0.693 2.059 0.771 0.000 0.000 -0.000 3/25200 930.0 0.686 2.036 0.763 0.000 0.000 -0.000 3/25200 940.0 0.679 2.014 0.755 0.000 0.000 -0.000 3/25200 950.0 0.671 1.993 0.747 0.000 0.000 -0.000 3/25200 960.0 0.664 1.972 0.739 0.000 0.000 -0.000 3/25200 970.0 0.657 1.951 0.731 0.000 0.000 -0.000 3/25200 980.0 0.651 1.931 0.723 0.000 0.000 -0.000 3/25200 990.0 0.644 1.911 0.716 0.000 0.000 -0.000 3/25200 1000.0 0.638 1.892 0.709 0.000 0.000 -0.000 3/25200Thermal conductivity related properties were written into "kappa-m5154.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 12:29:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|