# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/c49283b9-0ae9-4078-8d20-ffa5cf1a92cf/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 KCO2 / Pbam (55) / materials id 560616](https://mdr.nims.go.jp/datasets/2c618c7e-2548-4cfe-8f46-31e71581e2dd) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 16:09:34]-------------------------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: [2 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 6.146091140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974850990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.432850039999999Atomic positions (fractional): *1 K 0.90262303676432 0.84986215903322 0.50000000000000 39.098 2 K 0.09737696323568 0.15013784096679 0.50000000000000 39.098 3 K 0.40262303676432 0.65013784096678 0.50000000000000 39.098 4 K 0.59737696323568 0.34986215903321 0.50000000000000 39.098 *5 C 0.43002308045187 0.93966454079393 0.00000000000000 12.011 6 C 0.93002308045187 0.56033545920607 0.00000000000000 12.011 7 C 0.06997691954813 0.43966454079392 0.00000000000000 12.011 8 C 0.56997691954813 0.06033545920607 0.00000000000000 12.011 *9 O 0.53367944532669 0.83981091500076 0.00000000000000 15.999 10 O 0.03367944532669 0.66018908499924 0.00000000000000 15.999 *11 O 0.22555305552840 0.95202504122849 0.00000000000000 15.999 12 O 0.96632055467331 0.33981091500076 0.00000000000000 15.999 13 O 0.27444694447160 0.45202504122849 0.00000000000000 15.999 14 O 0.77444694447160 0.04797495877151 0.00000000000000 15.999 15 O 0.46632055467331 0.16018908499924 0.00000000000000 15.999 16 O 0.72555305552840 0.54797495877151 0.00000000000000 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.146091140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974850990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.432850039999999Atomic positions (fractional): *1 K 0.90262303676432 0.84986215903322 0.50000000000000 39.098 > 1 2 K 0.09737696323568 0.15013784096679 0.50000000000000 39.098 > 2 3 K 0.40262303676432 0.65013784096678 0.50000000000000 39.098 > 3 4 K 0.59737696323568 0.34986215903321 0.50000000000000 39.098 > 4 *5 C 0.43002308045187 0.93966454079393 0.00000000000000 12.011 > 5 6 C 0.93002308045187 0.56033545920607 0.00000000000000 12.011 > 6 7 C 0.06997691954813 0.43966454079392 0.00000000000000 12.011 > 7 8 C 0.56997691954813 0.06033545920607 0.00000000000000 12.011 > 8 *9 O 0.53367944532669 0.83981091500076 0.00000000000000 15.999 > 9 10 O 0.03367944532669 0.66018908499924 0.00000000000000 15.999 > 10 *11 O 0.22555305552840 0.95202504122849 0.00000000000000 15.999 > 11 12 O 0.96632055467331 0.33981091500076 0.00000000000000 15.999 > 12 13 O 0.27444694447160 0.45202504122849 0.00000000000000 15.999 > 13 14 O 0.77444694447160 0.04797495877151 0.00000000000000 15.999 > 14 15 O 0.46632055467331 0.16018908499924 0.00000000000000 15.999 > 15 16 O 0.72555305552840 0.54797495877151 0.00000000000000 15.999 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 12.292182280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974850990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.731400159999996Atomic positions (fractional): *1 K 0.45131151838216 0.84986215903322 0.12500000000000 39.098 > 1 2 K 0.95131151838216 0.84986215903322 0.12500000000000 39.098 > 1 3 K 0.45131151838216 0.84986215903322 0.37500000000000 39.098 > 1 4 K 0.95131151838216 0.84986215903322 0.37500000000000 39.098 > 1 5 K 0.45131151838216 0.84986215903322 0.62500000000000 39.098 > 1 6 K 0.95131151838216 0.84986215903322 0.62500000000000 39.098 > 1 7 K 0.45131151838216 0.84986215903322 0.87500000000000 39.098 > 1 8 K 0.95131151838216 0.84986215903322 0.87500000000000 39.098 > 1 9 K 0.04868848161784 0.15013784096679 0.12500000000000 39.098 > 2 10 K 0.54868848161784 0.15013784096679 0.12500000000000 39.098 > 2 11 K 0.04868848161784 0.15013784096679 0.37500000000000 39.098 > 2 12 K 0.54868848161784 0.15013784096679 0.37500000000000 39.098 > 2 13 K 0.04868848161784 0.15013784096679 0.62500000000000 39.098 > 2 14 K 0.54868848161784 0.15013784096679 0.62500000000000 39.098 > 2 15 K 0.04868848161784 0.15013784096679 0.87500000000000 39.098 > 2 16 K 0.54868848161784 0.15013784096679 0.87500000000000 39.098 > 2 17 K 0.20131151838216 0.65013784096678 0.12500000000000 39.098 > 3 18 K 0.70131151838216 0.65013784096678 0.12500000000000 39.098 > 3 19 K 0.20131151838216 0.65013784096678 0.37500000000000 39.098 > 3 20 K 0.70131151838216 0.65013784096678 0.37500000000000 39.098 > 3 21 K 0.20131151838216 0.65013784096678 0.62500000000000 39.098 > 3 22 K 0.70131151838216 0.65013784096678 0.62500000000000 39.098 > 3 23 K 0.20131151838216 0.65013784096678 0.87500000000000 39.098 > 3 24 K 0.70131151838216 0.65013784096678 0.87500000000000 39.098 > 3 25 K 0.29868848161784 0.34986215903321 0.12500000000000 39.098 > 4 26 K 0.79868848161784 0.34986215903321 0.12500000000000 39.098 > 4 27 K 0.29868848161784 0.34986215903321 0.37500000000000 39.098 > 4 28 K 0.79868848161784 0.34986215903321 0.37500000000000 39.098 > 4 29 K 0.29868848161784 0.34986215903321 0.62500000000000 39.098 > 4 30 K 0.79868848161784 0.34986215903321 0.62500000000000 39.098 > 4 31 K 0.29868848161784 0.34986215903321 0.87500000000000 39.098 > 4 32 K 0.79868848161784 0.34986215903321 0.87500000000000 39.098 > 4 *33 C 0.21501154022594 0.93966454079393 0.00000000000000 12.011 > 5 34 C 0.71501154022594 0.93966454079393 0.00000000000000 12.011 > 5 35 C 0.21501154022594 0.93966454079393 0.25000000000000 12.011 > 5 36 C 0.71501154022594 0.93966454079393 0.25000000000000 12.011 > 5 37 C 0.21501154022594 0.93966454079393 0.50000000000000 12.011 > 5 38 C 0.71501154022594 0.93966454079393 0.50000000000000 12.011 > 5 39 C 0.21501154022594 0.93966454079393 0.75000000000000 12.011 > 5 40 C 0.71501154022594 0.93966454079393 0.75000000000000 12.011 > 5 41 C 0.46501154022594 0.56033545920607 0.00000000000000 12.011 > 6 42 C 0.96501154022594 0.56033545920607 0.00000000000000 12.011 > 6 43 C 0.46501154022594 0.56033545920607 0.25000000000000 12.011 > 6 44 C 0.96501154022594 0.56033545920607 0.25000000000000 12.011 > 6 45 C 0.46501154022594 0.56033545920607 0.50000000000000 12.011 > 6 46 C 0.96501154022594 0.56033545920607 0.50000000000000 12.011 > 6 47 C 0.46501154022594 0.56033545920607 0.75000000000000 12.011 > 6 48 C 0.96501154022594 0.56033545920607 0.75000000000000 12.011 > 6 49 C 0.03498845977406 0.43966454079392 0.00000000000000 12.011 > 7 50 C 0.53498845977406 0.43966454079392 0.00000000000000 12.011 > 7 51 C 0.03498845977406 0.43966454079392 0.25000000000000 12.011 > 7 52 C 0.53498845977406 0.43966454079392 0.25000000000000 12.011 > 7 53 C 0.03498845977406 0.43966454079392 0.50000000000000 12.011 > 7 54 C 0.53498845977406 0.43966454079392 0.50000000000000 12.011 > 7 55 C 0.03498845977406 0.43966454079392 0.75000000000000 12.011 > 7 56 C 0.53498845977406 0.43966454079392 0.75000000000000 12.011 > 7 57 C 0.28498845977406 0.06033545920607 0.00000000000000 12.011 > 8 58 C 0.78498845977406 0.06033545920607 0.00000000000000 12.011 > 8 59 C 0.28498845977406 0.06033545920607 0.25000000000000 12.011 > 8 60 C 0.78498845977406 0.06033545920607 0.25000000000000 12.011 > 8 61 C 0.28498845977406 0.06033545920607 0.50000000000000 12.011 > 8 62 C 0.78498845977406 0.06033545920607 0.50000000000000 12.011 > 8 63 C 0.28498845977406 0.06033545920607 0.75000000000000 12.011 > 8 64 C 0.78498845977406 0.06033545920607 0.75000000000000 12.011 > 8 *65 O 0.26683972266334 0.83981091500076 0.00000000000000 15.999 > 9 66 O 0.76683972266334 0.83981091500076 0.00000000000000 15.999 > 9 67 O 0.26683972266334 0.83981091500076 0.25000000000000 15.999 > 9 68 O 0.76683972266334 0.83981091500076 0.25000000000000 15.999 > 9 69 O 0.26683972266334 0.83981091500076 0.50000000000000 15.999 > 9 70 O 0.76683972266334 0.83981091500076 0.50000000000000 15.999 > 9 71 O 0.26683972266334 0.83981091500076 0.75000000000000 15.999 > 9 72 O 0.76683972266334 0.83981091500076 0.75000000000000 15.999 > 9 73 O 0.01683972266334 0.66018908499924 0.00000000000000 15.999 > 10 74 O 0.51683972266334 0.66018908499924 0.00000000000000 15.999 > 10 75 O 0.01683972266334 0.66018908499924 0.25000000000000 15.999 > 10 76 O 0.51683972266334 0.66018908499924 0.25000000000000 15.999 > 10 77 O 0.01683972266334 0.66018908499924 0.50000000000000 15.999 > 10 78 O 0.51683972266334 0.66018908499924 0.50000000000000 15.999 > 10 79 O 0.01683972266334 0.66018908499924 0.75000000000000 15.999 > 10 80 O 0.51683972266334 0.66018908499924 0.75000000000000 15.999 > 10 *81 O 0.11277652776420 0.95202504122849 0.00000000000000 15.999 > 11 82 O 0.61277652776420 0.95202504122849 0.00000000000000 15.999 > 11 83 O 0.11277652776420 0.95202504122849 0.25000000000000 15.999 > 11 84 O 0.61277652776420 0.95202504122849 0.25000000000000 15.999 > 11 85 O 0.11277652776420 0.95202504122849 0.50000000000000 15.999 > 11 86 O 0.61277652776420 0.95202504122849 0.50000000000000 15.999 > 11 87 O 0.11277652776420 0.95202504122849 0.75000000000000 15.999 > 11 88 O 0.61277652776420 0.95202504122849 0.75000000000000 15.999 > 11 89 O 0.48316027733666 0.33981091500076 0.00000000000000 15.999 > 12 90 O 0.98316027733666 0.33981091500076 0.00000000000000 15.999 > 12 91 O 0.48316027733666 0.33981091500076 0.25000000000000 15.999 > 12 92 O 0.98316027733666 0.33981091500076 0.25000000000000 15.999 > 12 93 O 0.48316027733666 0.33981091500076 0.50000000000000 15.999 > 12 94 O 0.98316027733666 0.33981091500076 0.50000000000000 15.999 > 12 95 O 0.48316027733666 0.33981091500076 0.75000000000000 15.999 > 12 96 O 0.98316027733666 0.33981091500076 0.75000000000000 15.999 > 12 97 O 0.13722347223580 0.45202504122849 0.00000000000000 15.999 > 13 98 O 0.63722347223580 0.45202504122849 0.00000000000000 15.999 > 13 99 O 0.13722347223580 0.45202504122849 0.25000000000000 15.999 > 13 100 O 0.63722347223580 0.45202504122849 0.25000000000000 15.999 > 13 101 O 0.13722347223580 0.45202504122849 0.50000000000000 15.999 > 13 102 O 0.63722347223580 0.45202504122849 0.50000000000000 15.999 > 13 103 O 0.13722347223580 0.45202504122849 0.75000000000000 15.999 > 13 104 O 0.63722347223580 0.45202504122849 0.75000000000000 15.999 > 13 105 O 0.38722347223580 0.04797495877151 0.00000000000000 15.999 > 14 106 O 0.88722347223580 0.04797495877151 0.00000000000000 15.999 > 14 107 O 0.38722347223580 0.04797495877151 0.25000000000000 15.999 > 14 108 O 0.88722347223580 0.04797495877151 0.25000000000000 15.999 > 14 109 O 0.38722347223580 0.04797495877151 0.50000000000000 15.999 > 14 110 O 0.88722347223580 0.04797495877151 0.50000000000000 15.999 > 14 111 O 0.38722347223580 0.04797495877151 0.75000000000000 15.999 > 14 112 O 0.88722347223580 0.04797495877151 0.75000000000000 15.999 > 14 113 O 0.23316027733666 0.16018908499924 0.00000000000000 15.999 > 15 114 O 0.73316027733666 0.16018908499924 0.00000000000000 15.999 > 15 115 O 0.23316027733666 0.16018908499924 0.25000000000000 15.999 > 15 116 O 0.73316027733666 0.16018908499924 0.25000000000000 15.999 > 15 117 O 0.23316027733666 0.16018908499924 0.50000000000000 15.999 > 15 118 O 0.73316027733666 0.16018908499924 0.50000000000000 15.999 > 15 119 O 0.23316027733666 0.16018908499924 0.75000000000000 15.999 > 15 120 O 0.73316027733666 0.16018908499924 0.75000000000000 15.999 > 15 121 O 0.36277652776420 0.54797495877151 0.00000000000000 15.999 > 16 122 O 0.86277652776420 0.54797495877151 0.00000000000000 15.999 > 16 123 O 0.36277652776420 0.54797495877151 0.25000000000000 15.999 > 16 124 O 0.86277652776420 0.54797495877151 0.25000000000000 15.999 > 16 125 O 0.36277652776420 0.54797495877151 0.50000000000000 15.999 > 16 126 O 0.86277652776420 0.54797495877151 0.50000000000000 15.999 > 16 127 O 0.36277652776420 0.54797495877151 0.75000000000000 15.999 > 16 128 O 0.86277652776420 0.54797495877151 0.75000000000000 15.999 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.6362710 0.0000000 0.0000000 0.0000000 2.5207534 0.0000000 0.0000000 0.0000000 2.0788650-------------------------- Born effective charges -------------------------- 1 K 1.2858535 -0.0202709 0.0000000 -0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 2 K 1.2858535 -0.0202709 0.0000000 -0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 3 K 1.2858535 0.0202709 0.0000000 0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 4 K 1.2858535 0.0202709 0.0000000 0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 5 C 2.0917099 -0.5684731 0.0000000 -0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 6 C 2.0917099 0.5684731 0.0000000 0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 7 C 2.0917099 0.5684731 0.0000000 0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 8 C 2.0917099 -0.5684731 0.0000000 -0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 9 O -1.2692797 0.6364930 0.0000000 0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 10 O -1.2692797 -0.6364930 0.0000000 -0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 11 O -2.1082837 -0.0814734 0.0000000 0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 12 O -1.2692797 -0.6364930 0.0000000 -0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 13 O -2.1082837 0.0814734 0.0000000 -0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 14 O -2.1082837 -0.0814734 0.0000000 0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 15 O -1.2692797 0.6364930 0.0000000 0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 16 O -2.1082837 0.0814734 0.0000000 -0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802----------------------------------------------------------------------------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: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1300Number of blocks in projector: 1300Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 204Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 204Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 204Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 176Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 176Use standard eigh solver.Tree of FC basis block matrices:- (1300, 1280), data: False|-- (176, 176), data: True|-- (176, 176), data: True|-- (204, 200), data: True|-- (204, 200), data: True|-- (204, 200), data: True|-- (336, 328), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 240 - Time: 1.865Solver_block: 200 / 240 - Time: 1.846Solver_block: 240 / 240 - Time: 0.810Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.551--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1300Number of blocks in projector: 1300Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 204Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 204Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 204Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 176Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 176Use standard eigh solver.Tree of FC basis block matrices:- (1300, 1280), data: False|-- (176, 176), data: True|-- (176, 176), data: True|-- (204, 200), data: True|-- (204, 200), data: True|-- (204, 200), data: True|-- (336, 328), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 16:09:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:09:51]-------------------------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): [2 1 4]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.146091140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974850990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.432850039999999Atomic positions (fractional): 1 K 0.90262303676432 0.84986215903322 0.50000000000000 39.098 2 K 0.09737696323568 0.15013784096679 0.50000000000000 39.098 3 K 0.40262303676432 0.65013784096678 0.50000000000000 39.098 4 K 0.59737696323568 0.34986215903321 0.50000000000000 39.098 5 C 0.43002308045187 0.93966454079393 0.00000000000000 12.011 6 C 0.93002308045187 0.56033545920607 0.00000000000000 12.011 7 C 0.06997691954813 0.43966454079392 0.00000000000000 12.011 8 C 0.56997691954813 0.06033545920607 0.00000000000000 12.011 9 O 0.53367944532669 0.83981091500076 0.00000000000000 15.999 10 O 0.03367944532669 0.66018908499924 0.00000000000000 15.999 11 O 0.22555305552840 0.95202504122849 0.00000000000000 15.999 12 O 0.96632055467331 0.33981091500076 0.00000000000000 15.999 13 O 0.27444694447160 0.45202504122849 0.00000000000000 15.999 14 O 0.77444694447160 0.04797495877151 0.00000000000000 15.999 15 O 0.46632055467331 0.16018908499924 0.00000000000000 15.999 16 O 0.72555305552840 0.54797495877151 0.00000000000000 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.292182280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974850990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.731400159999996Atomic positions (fractional): 1 K 0.45131151838216 0.84986215903322 0.12500000000000 39.098 > 1 2 K 0.95131151838216 0.84986215903322 0.12500000000000 39.098 > 1 3 K 0.45131151838216 0.84986215903322 0.37500000000000 39.098 > 1 4 K 0.95131151838216 0.84986215903322 0.37500000000000 39.098 > 1 5 K 0.45131151838216 0.84986215903322 0.62500000000000 39.098 > 1 6 K 0.95131151838216 0.84986215903322 0.62500000000000 39.098 > 1 7 K 0.45131151838216 0.84986215903322 0.87500000000000 39.098 > 1 8 K 0.95131151838216 0.84986215903322 0.87500000000000 39.098 > 1 9 K 0.04868848161784 0.15013784096679 0.12500000000000 39.098 > 9 10 K 0.54868848161784 0.15013784096679 0.12500000000000 39.098 > 9 11 K 0.04868848161784 0.15013784096679 0.37500000000000 39.098 > 9 12 K 0.54868848161784 0.15013784096679 0.37500000000000 39.098 > 9 13 K 0.04868848161784 0.15013784096679 0.62500000000000 39.098 > 9 14 K 0.54868848161784 0.15013784096679 0.62500000000000 39.098 > 9 15 K 0.04868848161784 0.15013784096679 0.87500000000000 39.098 > 9 16 K 0.54868848161784 0.15013784096679 0.87500000000000 39.098 > 9 17 K 0.20131151838216 0.65013784096678 0.12500000000000 39.098 > 17 18 K 0.70131151838216 0.65013784096678 0.12500000000000 39.098 > 17 19 K 0.20131151838216 0.65013784096678 0.37500000000000 39.098 > 17 20 K 0.70131151838216 0.65013784096678 0.37500000000000 39.098 > 17 21 K 0.20131151838216 0.65013784096678 0.62500000000000 39.098 > 17 22 K 0.70131151838216 0.65013784096678 0.62500000000000 39.098 > 17 23 K 0.20131151838216 0.65013784096678 0.87500000000000 39.098 > 17 24 K 0.70131151838216 0.65013784096678 0.87500000000000 39.098 > 17 25 K 0.29868848161784 0.34986215903321 0.12500000000000 39.098 > 25 26 K 0.79868848161784 0.34986215903321 0.12500000000000 39.098 > 25 27 K 0.29868848161784 0.34986215903321 0.37500000000000 39.098 > 25 28 K 0.79868848161784 0.34986215903321 0.37500000000000 39.098 > 25 29 K 0.29868848161784 0.34986215903321 0.62500000000000 39.098 > 25 30 K 0.79868848161784 0.34986215903321 0.62500000000000 39.098 > 25 31 K 0.29868848161784 0.34986215903321 0.87500000000000 39.098 > 25 32 K 0.79868848161784 0.34986215903321 0.87500000000000 39.098 > 25 33 C 0.21501154022594 0.93966454079393 0.00000000000000 12.011 > 33 34 C 0.71501154022594 0.93966454079393 0.00000000000000 12.011 > 33 35 C 0.21501154022594 0.93966454079393 0.25000000000000 12.011 > 33 36 C 0.71501154022594 0.93966454079393 0.25000000000000 12.011 > 33 37 C 0.21501154022594 0.93966454079393 0.50000000000000 12.011 > 33 38 C 0.71501154022594 0.93966454079393 0.50000000000000 12.011 > 33 39 C 0.21501154022594 0.93966454079393 0.75000000000000 12.011 > 33 40 C 0.71501154022594 0.93966454079393 0.75000000000000 12.011 > 33 41 C 0.46501154022594 0.56033545920607 0.00000000000000 12.011 > 41 42 C 0.96501154022594 0.56033545920607 0.00000000000000 12.011 > 41 43 C 0.46501154022594 0.56033545920607 0.25000000000000 12.011 > 41 44 C 0.96501154022594 0.56033545920607 0.25000000000000 12.011 > 41 45 C 0.46501154022594 0.56033545920607 0.50000000000000 12.011 > 41 46 C 0.96501154022594 0.56033545920607 0.50000000000000 12.011 > 41 47 C 0.46501154022594 0.56033545920607 0.75000000000000 12.011 > 41 48 C 0.96501154022594 0.56033545920607 0.75000000000000 12.011 > 41 49 C 0.03498845977406 0.43966454079392 0.00000000000000 12.011 > 49 50 C 0.53498845977406 0.43966454079392 0.00000000000000 12.011 > 49 51 C 0.03498845977406 0.43966454079392 0.25000000000000 12.011 > 49 52 C 0.53498845977406 0.43966454079392 0.25000000000000 12.011 > 49 53 C 0.03498845977406 0.43966454079392 0.50000000000000 12.011 > 49 54 C 0.53498845977406 0.43966454079392 0.50000000000000 12.011 > 49 55 C 0.03498845977406 0.43966454079392 0.75000000000000 12.011 > 49 56 C 0.53498845977406 0.43966454079392 0.75000000000000 12.011 > 49 57 C 0.28498845977406 0.06033545920607 0.00000000000000 12.011 > 57 58 C 0.78498845977406 0.06033545920607 0.00000000000000 12.011 > 57 59 C 0.28498845977406 0.06033545920607 0.25000000000000 12.011 > 57 60 C 0.78498845977406 0.06033545920607 0.25000000000000 12.011 > 57 61 C 0.28498845977406 0.06033545920607 0.50000000000000 12.011 > 57 62 C 0.78498845977406 0.06033545920607 0.50000000000000 12.011 > 57 63 C 0.28498845977406 0.06033545920607 0.75000000000000 12.011 > 57 64 C 0.78498845977406 0.06033545920607 0.75000000000000 12.011 > 57 65 O 0.26683972266334 0.83981091500076 0.00000000000000 15.999 > 65 66 O 0.76683972266334 0.83981091500076 0.00000000000000 15.999 > 65 67 O 0.26683972266334 0.83981091500076 0.25000000000000 15.999 > 65 68 O 0.76683972266334 0.83981091500076 0.25000000000000 15.999 > 65 69 O 0.26683972266334 0.83981091500076 0.50000000000000 15.999 > 65 70 O 0.76683972266334 0.83981091500076 0.50000000000000 15.999 > 65 71 O 0.26683972266334 0.83981091500076 0.75000000000000 15.999 > 65 72 O 0.76683972266334 0.83981091500076 0.75000000000000 15.999 > 65 73 O 0.01683972266334 0.66018908499924 0.00000000000000 15.999 > 73 74 O 0.51683972266334 0.66018908499924 0.00000000000000 15.999 > 73 75 O 0.01683972266334 0.66018908499924 0.25000000000000 15.999 > 73 76 O 0.51683972266334 0.66018908499924 0.25000000000000 15.999 > 73 77 O 0.01683972266334 0.66018908499924 0.50000000000000 15.999 > 73 78 O 0.51683972266334 0.66018908499924 0.50000000000000 15.999 > 73 79 O 0.01683972266334 0.66018908499924 0.75000000000000 15.999 > 73 80 O 0.51683972266334 0.66018908499924 0.75000000000000 15.999 > 73 81 O 0.11277652776420 0.95202504122849 0.00000000000000 15.999 > 81 82 O 0.61277652776420 0.95202504122849 0.00000000000000 15.999 > 81 83 O 0.11277652776420 0.95202504122849 0.25000000000000 15.999 > 81 84 O 0.61277652776420 0.95202504122849 0.25000000000000 15.999 > 81 85 O 0.11277652776420 0.95202504122849 0.50000000000000 15.999 > 81 86 O 0.61277652776420 0.95202504122849 0.50000000000000 15.999 > 81 87 O 0.11277652776420 0.95202504122849 0.75000000000000 15.999 > 81 88 O 0.61277652776420 0.95202504122849 0.75000000000000 15.999 > 81 89 O 0.48316027733666 0.33981091500076 0.00000000000000 15.999 > 89 90 O 0.98316027733666 0.33981091500076 0.00000000000000 15.999 > 89 91 O 0.48316027733666 0.33981091500076 0.25000000000000 15.999 > 89 92 O 0.98316027733666 0.33981091500076 0.25000000000000 15.999 > 89 93 O 0.48316027733666 0.33981091500076 0.50000000000000 15.999 > 89 94 O 0.98316027733666 0.33981091500076 0.50000000000000 15.999 > 89 95 O 0.48316027733666 0.33981091500076 0.75000000000000 15.999 > 89 96 O 0.98316027733666 0.33981091500076 0.75000000000000 15.999 > 89 97 O 0.13722347223580 0.45202504122849 0.00000000000000 15.999 > 97 98 O 0.63722347223580 0.45202504122849 0.00000000000000 15.999 > 97 99 O 0.13722347223580 0.45202504122849 0.25000000000000 15.999 > 97 100 O 0.63722347223580 0.45202504122849 0.25000000000000 15.999 > 97 101 O 0.13722347223580 0.45202504122849 0.50000000000000 15.999 > 97 102 O 0.63722347223580 0.45202504122849 0.50000000000000 15.999 > 97 103 O 0.13722347223580 0.45202504122849 0.75000000000000 15.999 > 97 104 O 0.63722347223580 0.45202504122849 0.75000000000000 15.999 > 97 105 O 0.38722347223580 0.04797495877151 0.00000000000000 15.999 > 105 106 O 0.88722347223580 0.04797495877151 0.00000000000000 15.999 > 105 107 O 0.38722347223580 0.04797495877151 0.25000000000000 15.999 > 105 108 O 0.88722347223580 0.04797495877151 0.25000000000000 15.999 > 105 109 O 0.38722347223580 0.04797495877151 0.50000000000000 15.999 > 105 110 O 0.88722347223580 0.04797495877151 0.50000000000000 15.999 > 105 111 O 0.38722347223580 0.04797495877151 0.75000000000000 15.999 > 105 112 O 0.88722347223580 0.04797495877151 0.75000000000000 15.999 > 105 113 O 0.23316027733666 0.16018908499924 0.00000000000000 15.999 > 113 114 O 0.73316027733666 0.16018908499924 0.00000000000000 15.999 > 113 115 O 0.23316027733666 0.16018908499924 0.25000000000000 15.999 > 113 116 O 0.73316027733666 0.16018908499924 0.25000000000000 15.999 > 113 117 O 0.23316027733666 0.16018908499924 0.50000000000000 15.999 > 113 118 O 0.73316027733666 0.16018908499924 0.50000000000000 15.999 > 113 119 O 0.23316027733666 0.16018908499924 0.75000000000000 15.999 > 113 120 O 0.73316027733666 0.16018908499924 0.75000000000000 15.999 > 113 121 O 0.36277652776420 0.54797495877151 0.00000000000000 15.999 > 121 122 O 0.86277652776420 0.54797495877151 0.00000000000000 15.999 > 121 123 O 0.36277652776420 0.54797495877151 0.25000000000000 15.999 > 121 124 O 0.86277652776420 0.54797495877151 0.25000000000000 15.999 > 121 125 O 0.36277652776420 0.54797495877151 0.50000000000000 15.999 > 121 126 O 0.86277652776420 0.54797495877151 0.50000000000000 15.999 > 121 127 O 0.36277652776420 0.54797495877151 0.75000000000000 15.999 > 121 128 O 0.86277652776420 0.54797495877151 0.75000000000000 15.999 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.6362710 0.0000000 0.0000000 0.0000000 2.5207534 0.0000000 0.0000000 0.0000000 2.0788650-------------------------- Born effective charges -------------------------- 1 K 1.2858535 -0.0202709 0.0000000 -0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 2 K 1.2858535 -0.0202709 0.0000000 -0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 3 K 1.2858535 0.0202709 0.0000000 0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 4 K 1.2858535 0.0202709 0.0000000 0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 5 C 2.0917099 -0.5684731 0.0000000 -0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 6 C 2.0917099 0.5684731 0.0000000 0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 7 C 2.0917099 0.5684731 0.0000000 0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 8 C 2.0917099 -0.5684731 0.0000000 -0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 9 O -1.2692797 0.6364930 0.0000000 0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 10 O -1.2692797 -0.6364930 0.0000000 -0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 11 O -2.1082837 -0.0814734 0.0000000 0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 12 O -1.2692797 -0.6364930 0.0000000 -0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 13 O -2.1082837 0.0814734 0.0000000 -0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 14 O -2.1082837 -0.0814734 0.0000000 0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 15 O -1.2692797 0.6364930 0.0000000 0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 16 O -2.1082837 0.0814734 0.0000000 -0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802----------------------------------------------------------------------------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[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, 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: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) 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 16:10:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:10:08]-------------------------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): [2 1 4]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.146091140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974850990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.432850039999999Atomic positions (fractional): 1 K 0.90262303676432 0.84986215903322 0.50000000000000 39.098 2 K 0.09737696323568 0.15013784096679 0.50000000000000 39.098 3 K 0.40262303676432 0.65013784096678 0.50000000000000 39.098 4 K 0.59737696323568 0.34986215903321 0.50000000000000 39.098 5 C 0.43002308045187 0.93966454079393 0.00000000000000 12.011 6 C 0.93002308045187 0.56033545920607 0.00000000000000 12.011 7 C 0.06997691954813 0.43966454079392 0.00000000000000 12.011 8 C 0.56997691954813 0.06033545920607 0.00000000000000 12.011 9 O 0.53367944532669 0.83981091500076 0.00000000000000 15.999 10 O 0.03367944532669 0.66018908499924 0.00000000000000 15.999 11 O 0.22555305552840 0.95202504122849 0.00000000000000 15.999 12 O 0.96632055467331 0.33981091500076 0.00000000000000 15.999 13 O 0.27444694447160 0.45202504122849 0.00000000000000 15.999 14 O 0.77444694447160 0.04797495877151 0.00000000000000 15.999 15 O 0.46632055467331 0.16018908499924 0.00000000000000 15.999 16 O 0.72555305552840 0.54797495877151 0.00000000000000 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.292182280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974850990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.731400159999996Atomic positions (fractional): 1 K 0.45131151838216 0.84986215903322 0.12500000000000 39.098 > 1 2 K 0.95131151838216 0.84986215903322 0.12500000000000 39.098 > 1 3 K 0.45131151838216 0.84986215903322 0.37500000000000 39.098 > 1 4 K 0.95131151838216 0.84986215903322 0.37500000000000 39.098 > 1 5 K 0.45131151838216 0.84986215903322 0.62500000000000 39.098 > 1 6 K 0.95131151838216 0.84986215903322 0.62500000000000 39.098 > 1 7 K 0.45131151838216 0.84986215903322 0.87500000000000 39.098 > 1 8 K 0.95131151838216 0.84986215903322 0.87500000000000 39.098 > 1 9 K 0.04868848161784 0.15013784096679 0.12500000000000 39.098 > 9 10 K 0.54868848161784 0.15013784096679 0.12500000000000 39.098 > 9 11 K 0.04868848161784 0.15013784096679 0.37500000000000 39.098 > 9 12 K 0.54868848161784 0.15013784096679 0.37500000000000 39.098 > 9 13 K 0.04868848161784 0.15013784096679 0.62500000000000 39.098 > 9 14 K 0.54868848161784 0.15013784096679 0.62500000000000 39.098 > 9 15 K 0.04868848161784 0.15013784096679 0.87500000000000 39.098 > 9 16 K 0.54868848161784 0.15013784096679 0.87500000000000 39.098 > 9 17 K 0.20131151838216 0.65013784096678 0.12500000000000 39.098 > 17 18 K 0.70131151838216 0.65013784096678 0.12500000000000 39.098 > 17 19 K 0.20131151838216 0.65013784096678 0.37500000000000 39.098 > 17 20 K 0.70131151838216 0.65013784096678 0.37500000000000 39.098 > 17 21 K 0.20131151838216 0.65013784096678 0.62500000000000 39.098 > 17 22 K 0.70131151838216 0.65013784096678 0.62500000000000 39.098 > 17 23 K 0.20131151838216 0.65013784096678 0.87500000000000 39.098 > 17 24 K 0.70131151838216 0.65013784096678 0.87500000000000 39.098 > 17 25 K 0.29868848161784 0.34986215903321 0.12500000000000 39.098 > 25 26 K 0.79868848161784 0.34986215903321 0.12500000000000 39.098 > 25 27 K 0.29868848161784 0.34986215903321 0.37500000000000 39.098 > 25 28 K 0.79868848161784 0.34986215903321 0.37500000000000 39.098 > 25 29 K 0.29868848161784 0.34986215903321 0.62500000000000 39.098 > 25 30 K 0.79868848161784 0.34986215903321 0.62500000000000 39.098 > 25 31 K 0.29868848161784 0.34986215903321 0.87500000000000 39.098 > 25 32 K 0.79868848161784 0.34986215903321 0.87500000000000 39.098 > 25 33 C 0.21501154022594 0.93966454079393 0.00000000000000 12.011 > 33 34 C 0.71501154022594 0.93966454079393 0.00000000000000 12.011 > 33 35 C 0.21501154022594 0.93966454079393 0.25000000000000 12.011 > 33 36 C 0.71501154022594 0.93966454079393 0.25000000000000 12.011 > 33 37 C 0.21501154022594 0.93966454079393 0.50000000000000 12.011 > 33 38 C 0.71501154022594 0.93966454079393 0.50000000000000 12.011 > 33 39 C 0.21501154022594 0.93966454079393 0.75000000000000 12.011 > 33 40 C 0.71501154022594 0.93966454079393 0.75000000000000 12.011 > 33 41 C 0.46501154022594 0.56033545920607 0.00000000000000 12.011 > 41 42 C 0.96501154022594 0.56033545920607 0.00000000000000 12.011 > 41 43 C 0.46501154022594 0.56033545920607 0.25000000000000 12.011 > 41 44 C 0.96501154022594 0.56033545920607 0.25000000000000 12.011 > 41 45 C 0.46501154022594 0.56033545920607 0.50000000000000 12.011 > 41 46 C 0.96501154022594 0.56033545920607 0.50000000000000 12.011 > 41 47 C 0.46501154022594 0.56033545920607 0.75000000000000 12.011 > 41 48 C 0.96501154022594 0.56033545920607 0.75000000000000 12.011 > 41 49 C 0.03498845977406 0.43966454079392 0.00000000000000 12.011 > 49 50 C 0.53498845977406 0.43966454079392 0.00000000000000 12.011 > 49 51 C 0.03498845977406 0.43966454079392 0.25000000000000 12.011 > 49 52 C 0.53498845977406 0.43966454079392 0.25000000000000 12.011 > 49 53 C 0.03498845977406 0.43966454079392 0.50000000000000 12.011 > 49 54 C 0.53498845977406 0.43966454079392 0.50000000000000 12.011 > 49 55 C 0.03498845977406 0.43966454079392 0.75000000000000 12.011 > 49 56 C 0.53498845977406 0.43966454079392 0.75000000000000 12.011 > 49 57 C 0.28498845977406 0.06033545920607 0.00000000000000 12.011 > 57 58 C 0.78498845977406 0.06033545920607 0.00000000000000 12.011 > 57 59 C 0.28498845977406 0.06033545920607 0.25000000000000 12.011 > 57 60 C 0.78498845977406 0.06033545920607 0.25000000000000 12.011 > 57 61 C 0.28498845977406 0.06033545920607 0.50000000000000 12.011 > 57 62 C 0.78498845977406 0.06033545920607 0.50000000000000 12.011 > 57 63 C 0.28498845977406 0.06033545920607 0.75000000000000 12.011 > 57 64 C 0.78498845977406 0.06033545920607 0.75000000000000 12.011 > 57 65 O 0.26683972266334 0.83981091500076 0.00000000000000 15.999 > 65 66 O 0.76683972266334 0.83981091500076 0.00000000000000 15.999 > 65 67 O 0.26683972266334 0.83981091500076 0.25000000000000 15.999 > 65 68 O 0.76683972266334 0.83981091500076 0.25000000000000 15.999 > 65 69 O 0.26683972266334 0.83981091500076 0.50000000000000 15.999 > 65 70 O 0.76683972266334 0.83981091500076 0.50000000000000 15.999 > 65 71 O 0.26683972266334 0.83981091500076 0.75000000000000 15.999 > 65 72 O 0.76683972266334 0.83981091500076 0.75000000000000 15.999 > 65 73 O 0.01683972266334 0.66018908499924 0.00000000000000 15.999 > 73 74 O 0.51683972266334 0.66018908499924 0.00000000000000 15.999 > 73 75 O 0.01683972266334 0.66018908499924 0.25000000000000 15.999 > 73 76 O 0.51683972266334 0.66018908499924 0.25000000000000 15.999 > 73 77 O 0.01683972266334 0.66018908499924 0.50000000000000 15.999 > 73 78 O 0.51683972266334 0.66018908499924 0.50000000000000 15.999 > 73 79 O 0.01683972266334 0.66018908499924 0.75000000000000 15.999 > 73 80 O 0.51683972266334 0.66018908499924 0.75000000000000 15.999 > 73 81 O 0.11277652776420 0.95202504122849 0.00000000000000 15.999 > 81 82 O 0.61277652776420 0.95202504122849 0.00000000000000 15.999 > 81 83 O 0.11277652776420 0.95202504122849 0.25000000000000 15.999 > 81 84 O 0.61277652776420 0.95202504122849 0.25000000000000 15.999 > 81 85 O 0.11277652776420 0.95202504122849 0.50000000000000 15.999 > 81 86 O 0.61277652776420 0.95202504122849 0.50000000000000 15.999 > 81 87 O 0.11277652776420 0.95202504122849 0.75000000000000 15.999 > 81 88 O 0.61277652776420 0.95202504122849 0.75000000000000 15.999 > 81 89 O 0.48316027733666 0.33981091500076 0.00000000000000 15.999 > 89 90 O 0.98316027733666 0.33981091500076 0.00000000000000 15.999 > 89 91 O 0.48316027733666 0.33981091500076 0.25000000000000 15.999 > 89 92 O 0.98316027733666 0.33981091500076 0.25000000000000 15.999 > 89 93 O 0.48316027733666 0.33981091500076 0.50000000000000 15.999 > 89 94 O 0.98316027733666 0.33981091500076 0.50000000000000 15.999 > 89 95 O 0.48316027733666 0.33981091500076 0.75000000000000 15.999 > 89 96 O 0.98316027733666 0.33981091500076 0.75000000000000 15.999 > 89 97 O 0.13722347223580 0.45202504122849 0.00000000000000 15.999 > 97 98 O 0.63722347223580 0.45202504122849 0.00000000000000 15.999 > 97 99 O 0.13722347223580 0.45202504122849 0.25000000000000 15.999 > 97 100 O 0.63722347223580 0.45202504122849 0.25000000000000 15.999 > 97 101 O 0.13722347223580 0.45202504122849 0.50000000000000 15.999 > 97 102 O 0.63722347223580 0.45202504122849 0.50000000000000 15.999 > 97 103 O 0.13722347223580 0.45202504122849 0.75000000000000 15.999 > 97 104 O 0.63722347223580 0.45202504122849 0.75000000000000 15.999 > 97 105 O 0.38722347223580 0.04797495877151 0.00000000000000 15.999 > 105 106 O 0.88722347223580 0.04797495877151 0.00000000000000 15.999 > 105 107 O 0.38722347223580 0.04797495877151 0.25000000000000 15.999 > 105 108 O 0.88722347223580 0.04797495877151 0.25000000000000 15.999 > 105 109 O 0.38722347223580 0.04797495877151 0.50000000000000 15.999 > 105 110 O 0.88722347223580 0.04797495877151 0.50000000000000 15.999 > 105 111 O 0.38722347223580 0.04797495877151 0.75000000000000 15.999 > 105 112 O 0.88722347223580 0.04797495877151 0.75000000000000 15.999 > 105 113 O 0.23316027733666 0.16018908499924 0.00000000000000 15.999 > 113 114 O 0.73316027733666 0.16018908499924 0.00000000000000 15.999 > 113 115 O 0.23316027733666 0.16018908499924 0.25000000000000 15.999 > 113 116 O 0.73316027733666 0.16018908499924 0.25000000000000 15.999 > 113 117 O 0.23316027733666 0.16018908499924 0.50000000000000 15.999 > 113 118 O 0.73316027733666 0.16018908499924 0.50000000000000 15.999 > 113 119 O 0.23316027733666 0.16018908499924 0.75000000000000 15.999 > 113 120 O 0.73316027733666 0.16018908499924 0.75000000000000 15.999 > 113 121 O 0.36277652776420 0.54797495877151 0.00000000000000 15.999 > 121 122 O 0.86277652776420 0.54797495877151 0.00000000000000 15.999 > 121 123 O 0.36277652776420 0.54797495877151 0.25000000000000 15.999 > 121 124 O 0.86277652776420 0.54797495877151 0.25000000000000 15.999 > 121 125 O 0.36277652776420 0.54797495877151 0.50000000000000 15.999 > 121 126 O 0.86277652776420 0.54797495877151 0.50000000000000 15.999 > 121 127 O 0.36277652776420 0.54797495877151 0.75000000000000 15.999 > 121 128 O 0.86277652776420 0.54797495877151 0.75000000000000 15.999 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.6362710 0.0000000 0.0000000 0.0000000 2.5207534 0.0000000 0.0000000 0.0000000 2.0788650-------------------------- Born effective charges -------------------------- 1 K 1.2858535 -0.0202709 0.0000000 -0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 2 K 1.2858535 -0.0202709 0.0000000 -0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 3 K 1.2858535 0.0202709 0.0000000 0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 4 K 1.2858535 0.0202709 0.0000000 0.1501087 1.2250202 0.0000000 0.0000000 0.0000000 1.2150861 5 C 2.0917099 -0.5684731 0.0000000 -0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 6 C 2.0917099 0.5684731 0.0000000 0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 7 C 2.0917099 0.5684731 0.0000000 0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 8 C 2.0917099 -0.5684731 0.0000000 -0.6190977 1.5751692 0.0000000 0.0000000 0.0000000 0.2909681 9 O -1.2692797 0.6364930 0.0000000 0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 10 O -1.2692797 -0.6364930 0.0000000 -0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 11 O -2.1082837 -0.0814734 0.0000000 0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 12 O -1.2692797 -0.6364930 0.0000000 -0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 13 O -2.1082837 0.0814734 0.0000000 -0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 14 O -2.1082837 -0.0814734 0.0000000 0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802 15 O -1.2692797 0.6364930 0.0000000 0.2962375 -1.8183021 0.0000000 0.0000000 0.0000000 -0.7598739 16 O -2.1082837 0.0814734 0.0000000 -0.3349055 -0.9818873 0.0000000 0.0000000 0.0000000 -0.7461802----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 8 5 15 ]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: 0.68, Number of G-points: 315, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/120) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating 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 1.294 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 16.520 ( 0.000 0.000 0.000) 0.000 16.664 ( 0.000 0.000 0.000) 0.000 22.056 ( 0.000 0.000 0.000) 0.000 22.281 ( 0.000 0.000 0.000) 0.000 25.090 ( 0.000 0.000 0.000) 0.000 25.094 ( 0.000 0.000 0.000) 0.000 25.431 ( 0.000 0.000 0.000) 0.000 25.474 ( 0.000 0.000 0.000) 0.000 39.182 ( 0.000 0.000 0.000) 0.000 39.694 ( 0.000 0.000 0.000) 0.000 41.927 ( 0.000 0.000 0.000) 0.000 41.938 ( 0.000 0.000 0.000) 0.000 48.484 ( 0.000 0.000 0.000) 0.000 48.757 ( 0.000 0.000 0.000) 0.000 49.217 ( 0.000 0.000 0.000) 0.000 49.328 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/120) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.268 ( 12.896 0.000 0.000) 12.896 0.741 ( 35.024 0.000 0.000) 35.024 1.171 ( 55.978 0.000 0.000) 55.978 1.269 ( -2.408 0.000 0.000) 2.408 1.449 ( 2.846 0.000 0.000) 2.846 2.114 ( -1.972 0.000 0.000) 1.972 2.168 ( -2.271 0.000 0.000) 2.271 2.487 ( -8.244 0.000 0.000) 8.244 2.606 ( 19.116 0.000 0.000) 19.116 2.611 ( 2.090 0.000 0.000) 2.090 2.680 ( -11.551 0.000 0.000) 11.551 2.978 ( 0.824 0.000 0.000) 0.824 3.254 ( 4.485 0.000 0.000) 4.485 3.300 ( -6.708 0.000 0.000) 6.708 3.509 ( 3.831 0.000 0.000) 3.831 3.628 ( 15.753 0.000 0.000) 15.753 3.990 ( -1.707 0.000 0.000) 1.707 4.040 ( -4.400 0.000 0.000) 4.400 4.081 ( -1.822 0.000 0.000) 1.822 4.115 ( -7.047 0.000 0.000) 7.047 4.225 ( -6.904 0.000 0.000) 6.904 4.453 ( 5.372 0.000 0.000) 5.372 4.571 ( -4.875 0.000 0.000) 4.875 4.744 ( -6.003 0.000 0.000) 6.003 5.177 ( 8.200 0.000 0.000) 8.200 6.601 ( -6.381 0.000 0.000) 6.381 9.872 ( -1.553 0.000 0.000) 1.553 10.169 ( -2.465 0.000 0.000) 2.465 13.432 ( 2.305 0.000 0.000) 2.305 13.510 ( 0.270 0.000 0.000) 0.270 13.988 ( 0.166 0.000 0.000) 0.166 13.997 ( 0.089 0.000 0.000) 0.089 16.521 ( -0.040 0.000 0.000) 0.040 16.610 ( -4.684 0.000 0.000) 4.684 22.074 ( 1.632 0.000 0.000) 1.632 22.387 ( -2.027 0.000 0.000) 2.027 25.090 ( 0.033 0.000 0.000) 0.033 25.094 ( 0.001 0.000 0.000) 0.001 25.438 ( 0.586 0.000 0.000) 0.586 25.460 ( -1.315 0.000 0.000) 1.315 39.218 ( 3.319 0.000 0.000) 3.319 39.894 ( -4.629 0.000 0.000) 4.629 41.927 ( -0.042 0.000 0.000) 0.042 41.937 ( -0.150 0.000 0.000) 0.150 48.498 ( 1.295 0.000 0.000) 1.295 48.717 ( -2.860 0.000 0.000) 2.860 49.500 ( 15.152 0.000 0.000) 15.152 51.117 ( -3.199 0.000 0.000) 3.199======================= Grid point 2 (3/120) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( 11.743 0.000 0.000) 11.743 1.197 ( -4.608 0.000 0.000) 4.608 1.403 ( 29.579 0.000 0.000) 29.579 1.533 ( 5.291 0.000 0.000) 5.291 2.056 ( -3.689 0.000 0.000) 3.689 2.115 ( -2.611 0.000 0.000) 2.611 2.223 ( 42.310 0.000 0.000) 42.310 2.305 ( -8.960 0.000 0.000) 8.960 2.485 ( -2.914 0.000 0.000) 2.914 2.665 ( 3.111 0.000 0.000) 3.111 2.825 ( -2.842 0.000 0.000) 2.842 2.952 ( -2.800 0.000 0.000) 2.800 3.315 ( 11.364 0.000 0.000) 11.364 3.395 ( 8.504 0.000 0.000) 8.504 3.605 ( 5.266 0.000 0.000) 5.266 3.785 ( -11.355 0.000 0.000) 11.355 3.938 ( -1.129 0.000 0.000) 1.129 3.939 ( -3.371 0.000 0.000) 3.371 4.026 ( -3.556 0.000 0.000) 3.556 4.029 ( -1.367 0.000 0.000) 1.367 4.170 ( 7.984 0.000 0.000) 7.984 4.453 ( -6.141 0.000 0.000) 6.141 4.500 ( -1.606 0.000 0.000) 1.606 4.719 ( 5.741 0.000 0.000) 5.741 5.280 ( 1.425 0.000 0.000) 1.425 6.405 ( -12.849 0.000 0.000) 12.849 9.846 ( -0.609 0.000 0.000) 0.609 10.100 ( -4.194 0.000 0.000) 4.194 13.485 ( 2.499 0.000 0.000) 2.499 13.518 ( 0.493 0.000 0.000) 0.493 13.992 ( 0.251 0.000 0.000) 0.251 14.000 ( 0.110 0.000 0.000) 0.110 16.508 ( -4.491 0.000 0.000) 4.491 16.513 ( -0.810 0.000 0.000) 0.810 22.117 ( 2.509 0.000 0.000) 2.509 22.335 ( -2.834 0.000 0.000) 2.834 25.091 ( 0.053 0.000 0.000) 0.053 25.094 ( -0.006 0.000 0.000) 0.006 25.430 ( -1.323 0.000 0.000) 1.323 25.446 ( 0.050 0.000 0.000) 0.050 39.303 ( 4.797 0.000 0.000) 4.797 39.774 ( -6.725 0.000 0.000) 6.725 41.925 ( -0.072 0.000 0.000) 0.072 41.933 ( -0.249 0.000 0.000) 0.249 48.533 ( 2.028 0.000 0.000) 2.028 48.668 ( -1.817 0.000 0.000) 1.817 49.871 ( 19.943 0.000 0.000) 19.943 51.020 ( -6.436 0.000 0.000) 6.436======================= Grid point 3 (4/120) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( 10.138 0.000 0.000) 10.138 1.083 ( -6.568 0.000 0.000) 6.568 1.660 ( 7.100 0.000 0.000) 7.100 1.910 ( 19.006 0.000 0.000) 19.006 1.960 ( -6.020 0.000 0.000) 6.020 2.073 ( -1.206 0.000 0.000) 1.206 2.148 ( -5.908 0.000 0.000) 5.908 2.292 ( -6.157 0.000 0.000) 6.157 2.733 ( 3.565 0.000 0.000) 3.565 2.757 ( 1.961 0.000 0.000) 1.961 2.884 ( -3.645 0.000 0.000) 3.645 3.101 ( 31.396 0.000 0.000) 31.396 3.407 ( -21.509 0.000 0.000) 21.509 3.496 ( 3.500 0.000 0.000) 3.500 3.572 ( 8.465 0.000 0.000) 8.465 3.716 ( 5.634 0.000 0.000) 5.634 3.853 ( -5.093 0.000 0.000) 5.093 3.915 ( 1.887 0.000 0.000) 1.887 3.939 ( -4.919 0.000 0.000) 4.919 4.057 ( 3.721 0.000 0.000) 3.721 4.290 ( -5.588 0.000 0.000) 5.588 4.380 ( -9.925 0.000 0.000) 9.925 4.494 ( 15.303 0.000 0.000) 15.303 4.928 ( 7.034 0.000 0.000) 7.034 5.292 ( 5.795 0.000 0.000) 5.795 6.079 ( -19.116 0.000 0.000) 19.116 9.858 ( 1.822 0.000 0.000) 1.822 10.007 ( -4.715 0.000 0.000) 4.715 13.524 ( 1.229 0.000 0.000) 1.229 13.529 ( 0.521 0.000 0.000) 0.521 13.997 ( 0.219 0.000 0.000) 0.219 14.001 ( 0.036 0.000 0.000) 0.036 16.449 ( -1.208 0.000 0.000) 1.208 16.487 ( -1.701 0.000 0.000) 1.701 22.171 ( 2.644 0.000 0.000) 2.644 22.278 ( -2.739 0.000 0.000) 2.739 25.092 ( 0.055 0.000 0.000) 0.055 25.094 ( -0.022 0.000 0.000) 0.022 25.413 ( -0.242 0.000 0.000) 0.242 25.438 ( -0.806 0.000 0.000) 0.806 39.405 ( 5.129 0.000 0.000) 5.129 39.637 ( -6.510 0.000 0.000) 6.510 41.924 ( -0.039 0.000 0.000) 0.039 41.928 ( -0.220 0.000 0.000) 0.220 48.575 ( 2.003 0.000 0.000) 2.003 48.639 ( -1.252 0.000 0.000) 1.252 50.269 ( 18.447 0.000 0.000) 18.447 50.853 ( -10.100 0.000 0.000) 10.100======================= Grid point 4 (5/120) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 0.931 ( -8.383 0.000 0.000) 8.383 0.931 ( 8.383 0.000 0.000) 8.383 1.815 ( -7.779 0.000 0.000) 7.779 1.815 ( 7.779 0.000 0.000) 7.779 2.074 ( -1.547 0.000 0.000) 1.547 2.074 ( 1.547 0.000 0.000) 1.547 2.162 ( -7.498 0.000 0.000) 7.498 2.162 ( 7.498 0.000 0.000) 7.498 2.808 ( -3.751 0.000 0.000) 3.751 2.808 ( 3.751 0.000 0.000) 3.751 2.982 ( -18.385 0.000 0.000) 18.385 2.982 ( 18.385 0.000 0.000) 18.385 3.471 ( -6.505 0.000 0.000) 6.505 3.471 ( 6.505 0.000 0.000) 6.505 3.730 ( -6.974 0.000 0.000) 6.974 3.730 ( 6.974 0.000 0.000) 6.974 3.831 ( -5.557 0.000 0.000) 5.557 3.831 ( 5.557 0.000 0.000) 5.557 4.109 ( -14.987 0.000 0.000) 14.987 4.109 ( 14.987 0.000 0.000) 14.987 4.161 ( -5.946 0.000 0.000) 5.946 4.161 ( 5.946 0.000 0.000) 5.946 4.807 ( -13.687 0.000 0.000) 13.687 4.807 ( 13.687 0.000 0.000) 13.687 5.644 ( -22.600 0.000 0.000) 22.600 5.644 ( 22.600 0.000 0.000) 22.600 9.917 ( -3.876 0.000 0.000) 3.876 9.917 ( 3.876 0.000 0.000) 3.876 13.535 ( -0.001 0.000 0.000) 0.001 13.535 ( 0.001 0.000 0.000) 0.001 14.001 ( -0.098 0.000 0.000) 0.098 14.001 ( 0.098 0.000 0.000) 0.098 16.453 ( -1.304 0.000 0.000) 1.304 16.453 ( 1.304 0.000 0.000) 1.304 22.224 ( -2.588 0.000 0.000) 2.588 22.224 ( 2.588 0.000 0.000) 2.588 25.093 ( -0.041 0.000 0.000) 0.041 25.093 ( 0.041 0.000 0.000) 0.041 25.420 ( -0.777 0.000 0.000) 0.777 25.420 ( 0.777 0.000 0.000) 0.777 39.513 ( -5.627 0.000 0.000) 5.627 39.513 ( 5.627 0.000 0.000) 5.627 41.924 ( -0.084 0.000 0.000) 0.084 41.924 ( 0.084 0.000 0.000) 0.084 48.612 ( -1.527 0.000 0.000) 1.527 48.612 ( 1.527 0.000 0.000) 1.527 50.604 ( -14.378 0.000 0.000) 14.378 50.604 ( 14.378 0.000 0.000) 14.378======================= Grid point 9 (6/120) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.272 ( 0.000 14.973 0.000) 14.973 0.548 ( 0.000 29.974 0.000) 29.974 1.002 ( 0.000 53.706 0.000) 53.706 1.086 ( 0.000 -14.290 0.000) 14.290 1.619 ( 0.000 13.288 0.000) 13.288 2.114 ( 0.000 -23.344 0.000) 23.344 2.138 ( 0.000 0.345 0.000) 0.345 2.188 ( 0.000 -0.568 0.000) 0.568 2.351 ( 0.000 -13.058 0.000) 13.058 2.814 ( 0.000 11.559 0.000) 11.559 2.965 ( 0.000 1.884 0.000) 1.884 3.048 ( 0.000 14.864 0.000) 14.864 3.193 ( 0.000 -10.401 0.000) 10.401 3.203 ( 0.000 -1.306 0.000) 1.306 3.394 ( 0.000 0.863 0.000) 0.863 3.416 ( 0.000 -5.151 0.000) 5.151 4.024 ( 0.000 1.619 0.000) 1.619 4.080 ( 0.000 -0.177 0.000) 0.177 4.096 ( 0.000 -0.417 0.000) 0.417 4.138 ( 0.000 -19.435 0.000) 19.435 4.204 ( 0.000 -9.057 0.000) 9.057 4.260 ( 0.000 -7.285 0.000) 7.285 4.763 ( 0.000 4.622 0.000) 4.622 4.826 ( 0.000 0.848 0.000) 0.848 5.410 ( 0.000 25.502 0.000) 25.502 6.376 ( 0.000 -7.621 0.000) 7.621 9.920 ( 0.000 3.036 0.000) 3.036 10.168 ( 0.000 -3.191 0.000) 3.191 13.416 ( 0.000 1.043 0.000) 1.043 13.498 ( 0.000 -1.006 0.000) 1.006 13.987 ( 0.000 0.104 0.000) 0.104 13.995 ( 0.000 -0.104 0.000) 0.104 16.534 ( 0.000 1.455 0.000) 1.455 16.650 ( 0.000 -1.451 0.000) 1.451 22.287 ( 0.000 0.670 0.000) 0.670 22.346 ( 0.000 -0.795 0.000) 0.795 25.090 ( 0.000 0.044 0.000) 0.044 25.094 ( 0.000 -0.044 0.000) 0.044 25.436 ( 0.000 0.510 0.000) 0.510 25.471 ( 0.000 -0.376 0.000) 0.376 39.697 ( 0.000 0.357 0.000) 0.357 39.725 ( 0.000 -0.353 0.000) 0.353 41.928 ( 0.000 0.115 0.000) 0.115 41.937 ( 0.000 -0.115 0.000) 0.115 48.533 ( 0.000 5.206 0.000) 5.206 49.066 ( 0.000 -11.094 0.000) 11.094 49.442 ( 0.000 7.241 0.000) 7.241 49.667 ( 0.000 -1.343 0.000) 1.343======================= Grid point 10 (7/120) =======================q-point: ( 0.12 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( 8.982 10.597 0.000) 13.891 0.874 ( 25.478 15.952 0.000) 30.059 1.098 ( 0.971 -12.883 0.000) 12.920 1.539 ( 41.840 32.823 0.000) 53.178 1.609 ( -0.786 11.601 0.000) 11.627 2.113 ( -2.944 -0.936 0.000) 3.089 2.155 ( -2.235 -0.990 0.000) 2.444 2.257 ( 8.529 -23.590 0.000) 25.085 2.338 ( -1.792 -9.617 0.000) 9.782 2.758 ( -3.024 9.705 0.000) 10.165 2.873 ( -1.356 9.796 0.000) 9.890 2.991 ( -0.086 1.037 0.000) 1.041 3.247 ( 5.131 -0.313 0.000) 5.141 3.280 ( -6.882 -2.951 0.000) 7.488 3.464 ( 4.156 -4.604 0.000) 6.202 3.537 ( 15.188 -9.760 0.000) 18.054 3.983 ( -2.512 -1.301 0.000) 2.829 4.008 ( -1.648 1.659 0.000) 2.339 4.057 ( -7.888 -6.432 0.000) 10.178 4.078 ( -1.774 -0.371 0.000) 1.813 4.152 ( -1.109 -6.965 0.000) 7.053 4.317 ( -1.926 -11.465 0.000) 11.625 4.733 ( 0.222 12.527 0.000) 12.529 4.823 ( -1.633 5.779 0.000) 6.005 5.426 ( 0.755 20.398 0.000) 20.412 6.412 ( -2.008 -15.232 0.000) 15.364 9.901 ( -1.509 3.081 0.000) 3.430 10.146 ( -2.151 -2.788 0.000) 3.521 13.440 ( 2.141 0.920 0.000) 2.330 13.511 ( 0.674 -0.368 0.000) 0.768 13.989 ( 0.159 0.096 0.000) 0.185 13.997 ( 0.096 -0.096 0.000) 0.136 16.495 ( -1.700 -0.652 0.000) 1.820 16.601 ( -4.354 -1.456 0.000) 4.591 22.158 ( -3.682 5.849 0.000) 6.912 22.359 ( -1.519 -2.526 0.000) 2.948 25.091 ( 0.030 0.040 0.000) 0.050 25.094 ( 0.004 -0.040 0.000) 0.040 25.441 ( 0.441 0.526 0.000) 0.686 25.471 ( -0.603 0.461 0.000) 0.758 39.401 ( -6.347 13.151 0.000) 14.603 39.834 ( -2.171 -5.396 0.000) 5.816 41.928 ( -0.052 0.105 0.000) 0.117 41.936 ( -0.139 -0.103 0.000) 0.173 48.538 ( 0.836 4.329 0.000) 4.409 48.771 ( -7.849 2.626 0.000) 8.276 49.560 ( 14.721 6.524 0.000) 16.102 50.548 ( 28.127 -38.977 0.000) 48.066======================= Grid point 11 (8/120) =======================q-point: ( 0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 10.278 6.658 0.000) 12.246 1.109 ( -0.350 -8.296 0.000) 8.303 1.415 ( 25.987 3.522 0.000) 26.224 1.602 ( 0.595 6.354 0.000) 6.382 2.018 ( -5.872 -5.078 0.000) 7.763 2.119 ( -1.412 1.482 0.000) 2.047 2.270 ( -4.465 -2.894 0.000) 5.321 2.287 ( 3.258 -18.218 0.000) 18.507 2.438 ( 35.108 20.578 0.000) 40.694 2.732 ( 0.426 6.120 0.000) 6.135 2.880 ( -3.841 4.957 0.000) 6.271 2.952 ( -3.023 -0.289 0.000) 3.037 3.230 ( 3.204 -7.928 0.000) 8.551 3.394 ( 8.372 0.156 0.000) 8.374 3.565 ( 5.374 -3.948 0.000) 6.669 3.746 ( 0.670 -7.351 0.000) 7.381 3.879 ( -3.657 -3.398 0.000) 4.992 3.958 ( -3.137 1.841 0.000) 3.638 4.025 ( -3.420 -0.197 0.000) 3.425 4.025 ( 3.866 0.803 0.000) 3.949 4.161 ( 5.579 -2.154 0.000) 5.980 4.247 ( -4.177 -12.633 0.000) 13.306 4.726 ( -1.864 15.343 0.000) 15.455 4.833 ( 4.640 9.485 0.000) 10.559 5.399 ( -4.172 11.242 0.000) 11.991 6.271 ( -11.272 -13.605 0.000) 17.668 9.875 ( -0.688 3.059 0.000) 3.135 10.085 ( -3.633 -1.776 0.000) 4.044 13.488 ( 2.193 0.438 0.000) 2.236 13.522 ( 0.486 0.197 0.000) 0.524 13.993 ( 0.237 0.073 0.000) 0.248 13.999 ( 0.123 -0.073 0.000) 0.144 16.465 ( -1.812 -2.401 0.000) 3.008 16.514 ( -3.174 -1.305 0.000) 3.432 22.141 ( 0.977 2.375 0.000) 2.568 22.312 ( -2.624 -2.331 0.000) 3.510 25.092 ( 0.047 0.031 0.000) 0.056 25.094 ( -0.000 -0.031 0.000) 0.031 25.440 ( -0.773 0.921 0.000) 1.203 25.457 ( -0.436 0.895 0.000) 0.995 39.377 ( 1.831 7.065 0.000) 7.299 39.741 ( -5.875 -3.536 0.000) 6.857 41.926 ( -0.088 0.075 0.000) 0.116 41.932 ( -0.232 -0.072 0.000) 0.243 48.565 ( 1.696 3.287 0.000) 3.698 48.683 ( -2.227 1.116 0.000) 2.491 49.920 ( 18.991 5.565 0.000) 19.790 50.800 ( 2.422 -20.791 0.000) 20.932======================= Grid point 12 (9/120) =======================q-point: ( 0.38 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( 9.200 4.367 0.000) 10.184 1.067 ( -3.967 -2.052 0.000) 4.466 1.647 ( 3.943 -0.640 0.000) 3.995 1.886 ( 19.292 -0.977 0.000) 19.316 1.888 ( -6.693 -6.573 0.000) 9.381 2.100 ( -0.246 2.896 0.000) 2.906 2.178 ( -4.095 1.828 0.000) 4.484 2.277 ( -1.594 -3.839 0.000) 4.156 2.677 ( -1.767 -4.875 0.000) 5.186 2.763 ( 2.327 2.991 0.000) 3.790 2.885 ( -3.343 -0.051 0.000) 3.343 3.087 ( -4.365 -13.900 0.000) 14.570 3.266 ( 17.020 8.000 0.000) 18.806 3.563 ( 7.854 -0.664 0.000) 7.882 3.656 ( -4.306 6.746 0.000) 8.003 3.670 ( 4.550 -3.968 0.000) 6.038 3.885 ( -3.741 2.543 0.000) 4.523 3.901 ( 3.089 -1.861 0.000) 3.606 3.942 ( -4.496 0.280 0.000) 4.505 4.084 ( 1.567 -4.235 0.000) 4.516 4.162 ( -0.966 -1.096 0.000) 1.461 4.428 ( 12.994 -0.627 0.000) 13.010 4.659 ( -2.166 15.951 0.000) 16.098 5.016 ( 7.911 8.471 0.000) 11.591 5.280 ( -2.310 -0.737 0.000) 2.425 5.970 ( -18.004 -11.522 0.000) 21.375 9.882 ( 1.409 2.481 0.000) 2.853 10.006 ( -4.016 -0.347 0.000) 4.031 13.521 ( 1.052 -0.086 0.000) 1.056 13.532 ( 0.384 0.088 0.000) 0.394 13.998 ( 0.201 0.039 0.000) 0.205 14.001 ( 0.054 -0.040 0.000) 0.067 16.433 ( -0.700 -1.331 0.000) 1.504 16.471 ( -1.667 -1.625 0.000) 2.328 22.174 ( 1.958 0.411 0.000) 2.001 22.261 ( -2.372 -1.708 0.000) 2.923 25.093 ( 0.048 0.017 0.000) 0.050 25.094 ( -0.014 -0.017 0.000) 0.022 25.426 ( -0.326 1.180 0.000) 1.224 25.445 ( -0.793 0.679 0.000) 1.044 39.435 ( 3.561 3.071 0.000) 4.702 39.620 ( -5.624 -1.768 0.000) 5.896 41.924 ( -0.056 0.037 0.000) 0.068 41.927 ( -0.202 -0.035 0.000) 0.205 48.601 ( 1.692 2.541 0.000) 3.052 48.653 ( -1.062 1.310 0.000) 1.686 50.288 ( 16.473 2.340 0.000) 16.638 50.754 ( -5.948 -9.858 0.000) 11.513======================= Grid point 13 (10/120) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -7.127 2.053 0.000) 7.417 0.952 ( 7.127 2.053 0.000) 7.417 1.754 ( -6.231 -5.183 0.000) 8.105 1.754 ( 6.231 -5.183 0.000) 8.105 2.116 ( -1.913 3.317 0.000) 3.829 2.116 ( 1.913 3.317 0.000) 3.829 2.173 ( -9.187 1.369 0.000) 9.288 2.173 ( 9.187 1.369 0.000) 9.288 2.809 ( -13.820 -14.662 0.000) 20.148 2.809 ( 13.820 -14.662 0.000) 20.148 2.819 ( -3.075 1.061 0.000) 3.253 2.819 ( 3.075 1.061 0.000) 3.253 3.553 ( -7.465 6.384 0.000) 9.823 3.553 ( 7.465 6.384 0.000) 9.823 3.693 ( -3.799 -2.961 0.000) 4.817 3.693 ( 3.799 -2.961 0.000) 4.817 3.859 ( -2.607 2.089 0.000) 3.341 3.859 ( 2.607 2.089 0.000) 3.341 3.996 ( -5.844 -6.409 0.000) 8.673 3.996 ( 5.844 -6.409 0.000) 8.673 4.353 ( -12.963 13.600 0.000) 18.789 4.353 ( 12.963 13.600 0.000) 18.789 4.863 ( -15.017 5.992 0.000) 16.169 4.863 ( 15.017 5.992 0.000) 16.169 5.560 ( -21.127 -8.881 0.000) 22.917 5.560 ( 21.127 -8.881 0.000) 22.917 9.930 ( -3.207 1.216 0.000) 3.430 9.930 ( 3.207 1.216 0.000) 3.430 13.534 ( -0.253 -0.164 0.000) 0.301 13.534 ( 0.253 -0.164 0.000) 0.301 14.001 ( -0.079 -0.000 0.000) 0.079 14.001 ( 0.079 -0.000 0.000) 0.079 16.440 ( -1.212 -1.201 0.000) 1.706 16.440 ( 1.212 -1.201 0.000) 1.706 22.215 ( -2.123 -0.783 0.000) 2.263 22.215 ( 2.123 -0.783 0.000) 2.263 25.093 ( -0.034 0.000 0.000) 0.034 25.093 ( 0.034 0.000 0.000) 0.034 25.429 ( -0.621 0.895 0.000) 1.089 25.429 ( 0.621 0.895 0.000) 1.089 39.517 ( -4.529 0.352 0.000) 4.542 39.517 ( 4.529 0.352 0.000) 4.542 41.924 ( -0.067 0.001 0.000) 0.067 41.924 ( 0.067 0.001 0.000) 0.067 48.631 ( -1.237 1.885 0.000) 2.254 48.631 ( 1.237 1.885 0.000) 2.254 50.575 ( -11.584 -2.846 0.000) 11.928 50.575 ( 11.584 -2.846 0.000) 11.928======================= Grid point 18 (11/120) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 0.000 15.013 0.000) 15.013 0.819 ( 0.000 -14.888 0.000) 14.888 1.090 ( 0.000 29.334 0.000) 29.334 1.596 ( 0.000 -22.869 0.000) 22.869 1.861 ( 0.000 13.216 0.000) 13.216 1.989 ( 0.000 44.113 0.000) 44.113 2.094 ( 0.000 -11.086 0.000) 11.086 2.166 ( 0.000 -1.312 0.000) 1.312 2.174 ( 0.000 -0.824 0.000) 0.824 2.769 ( 0.000 -36.053 0.000) 36.053 2.985 ( 0.000 5.762 0.000) 5.762 3.005 ( 0.000 1.849 0.000) 1.849 3.195 ( 0.000 1.949 0.000) 1.949 3.279 ( 0.000 9.594 0.000) 9.594 3.296 ( 0.000 -7.402 0.000) 7.402 3.387 ( 0.000 -2.560 0.000) 2.560 3.930 ( 0.000 -0.914 0.000) 0.914 4.025 ( 0.000 -8.820 0.000) 8.820 4.057 ( 0.000 1.729 0.000) 1.729 4.083 ( 0.000 -1.064 0.000) 1.064 4.093 ( 0.000 1.558 0.000) 1.558 4.155 ( 0.000 -4.916 0.000) 4.916 4.833 ( 0.000 2.497 0.000) 2.497 4.848 ( 0.000 0.654 0.000) 0.654 5.841 ( 0.000 21.200 0.000) 21.200 6.171 ( 0.000 -14.808 0.000) 14.808 9.995 ( 0.000 4.992 0.000) 4.992 10.090 ( 0.000 -5.087 0.000) 5.087 13.442 ( 0.000 1.665 0.000) 1.665 13.473 ( 0.000 -1.643 0.000) 1.643 13.990 ( 0.000 0.168 0.000) 0.168 13.993 ( 0.000 -0.169 0.000) 0.169 16.570 ( 0.000 2.351 0.000) 2.351 16.614 ( 0.000 -2.349 0.000) 2.349 22.304 ( 0.000 1.144 0.000) 1.144 22.326 ( 0.000 -1.221 0.000) 1.221 25.091 ( 0.000 0.071 0.000) 0.071 25.093 ( 0.000 -0.071 0.000) 0.071 25.448 ( 0.000 0.756 0.000) 0.756 25.461 ( 0.000 -0.674 0.000) 0.674 39.706 ( 0.000 0.575 0.000) 0.575 39.717 ( 0.000 -0.573 0.000) 0.573 41.931 ( 0.000 0.186 0.000) 0.186 41.934 ( 0.000 -0.186 0.000) 0.186 48.667 ( 0.000 9.238 0.000) 9.238 48.858 ( 0.000 -11.314 0.000) 11.314 49.555 ( 0.000 5.075 0.000) 5.075 49.628 ( 0.000 -2.992 0.000) 2.992======================= Grid point 19 (12/120) =======================q-point: ( 0.12 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 5.387 13.280 0.000) 14.331 0.853 ( 3.153 -13.718 0.000) 14.075 1.266 ( 13.850 25.045 0.000) 28.619 1.732 ( 9.939 -23.950 0.000) 25.930 1.821 ( -3.521 11.530 0.000) 12.055 2.017 ( -5.772 -9.269 0.000) 10.919 2.164 ( 0.170 1.701 0.000) 1.710 2.212 ( 1.440 -3.968 0.000) 4.222 2.282 ( 26.534 36.382 0.000) 45.030 2.877 ( 11.407 -20.097 0.000) 23.109 2.911 ( -4.077 6.669 0.000) 7.816 2.991 ( -2.703 -1.879 0.000) 3.292 3.199 ( -7.278 1.158 0.000) 7.370 3.268 ( 6.318 3.227 0.000) 7.094 3.320 ( -3.204 -9.536 0.000) 10.060 3.360 ( 5.303 -6.160 0.000) 8.128 3.943 ( -4.258 -0.851 0.000) 4.343 3.989 ( 2.333 -5.277 0.000) 5.770 4.040 ( -1.614 1.719 0.000) 2.358 4.066 ( -1.676 -1.014 0.000) 1.959 4.080 ( -0.278 4.988 0.000) 4.996 4.192 ( -0.680 -6.027 0.000) 6.065 4.867 ( 3.292 4.417 0.000) 5.508 4.902 ( 4.226 1.177 0.000) 4.387 5.797 ( -4.485 19.436 0.000) 19.947 6.124 ( -4.817 -16.561 0.000) 17.247 9.978 ( -1.463 5.021 0.000) 5.230 10.072 ( -1.612 -4.981 0.000) 5.235 13.464 ( 1.872 1.601 0.000) 2.463 13.493 ( 1.490 -1.461 0.000) 2.087 13.991 ( 0.139 0.155 0.000) 0.209 13.994 ( 0.116 -0.156 0.000) 0.194 16.513 ( -4.068 2.185 0.000) 4.618 16.561 ( -4.432 -2.710 0.000) 5.195 22.244 ( -3.639 3.862 0.000) 5.306 22.307 ( -2.214 -3.111 0.000) 3.818 25.092 ( 0.022 0.065 0.000) 0.069 25.093 ( 0.012 -0.065 0.000) 0.066 25.455 ( 0.512 0.885 0.000) 1.023 25.469 ( 0.342 -0.563 0.000) 0.659 39.595 ( -5.440 8.389 0.000) 9.998 39.726 ( -2.422 -6.371 0.000) 6.816 41.930 ( -0.077 0.169 0.000) 0.186 41.933 ( -0.111 -0.166 0.000) 0.200 48.643 ( -1.237 6.653 0.000) 6.767 48.752 ( -5.467 -4.363 0.000) 6.995 49.729 ( 16.352 11.956 0.000) 20.257 50.015 ( 24.396 -20.636 0.000) 31.953======================= Grid point 20 (13/120) =======================q-point: ( 0.25 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 7.438 10.013 0.000) 12.474 0.932 ( 4.176 -10.545 0.000) 11.342 1.582 ( 16.778 14.647 0.000) 22.272 1.737 ( -4.314 8.125 0.000) 9.199 1.889 ( -6.578 -8.248 0.000) 10.550 1.916 ( 8.673 -20.778 0.000) 22.515 2.163 ( -0.306 2.922 0.000) 2.938 2.217 ( -0.794 -2.933 0.000) 3.038 2.838 ( 10.926 18.078 0.000) 21.123 2.847 ( -2.070 5.801 0.000) 6.159 2.927 ( -3.076 -2.756 0.000) 4.130 3.032 ( -1.248 8.164 0.000) 8.259 3.078 ( 7.191 -1.343 0.000) 7.315 3.415 ( 7.606 2.402 0.000) 7.977 3.458 ( 18.104 -22.719 0.000) 29.050 3.482 ( 6.231 -4.597 0.000) 7.743 3.874 ( -2.315 2.900 0.000) 3.711 3.972 ( -2.059 -7.251 0.000) 7.538 3.993 ( -2.996 1.691 0.000) 3.441 4.016 ( -3.151 -0.831 0.000) 3.259 4.110 ( 2.578 2.154 0.000) 3.359 4.157 ( 0.532 -2.331 0.000) 2.391 4.948 ( 3.020 7.592 0.000) 8.171 4.977 ( 3.894 4.302 0.000) 5.802 5.648 ( -10.470 15.872 0.000) 19.015 5.966 ( -10.807 -18.289 0.000) 21.243 9.949 ( -1.130 4.675 0.000) 4.810 10.032 ( -2.241 -4.032 0.000) 4.612 13.502 ( 1.541 0.985 0.000) 1.829 13.518 ( 0.864 -0.669 0.000) 1.092 13.995 ( 0.202 0.118 0.000) 0.234 13.997 ( 0.159 -0.119 0.000) 0.198 16.446 ( -2.296 0.529 0.000) 2.356 16.477 ( -3.114 -2.355 0.000) 3.904 22.195 ( -1.135 3.367 0.000) 3.553 22.258 ( -2.173 -3.393 0.000) 4.030 25.092 ( 0.033 0.050 0.000) 0.060 25.093 ( 0.014 -0.050 0.000) 0.052 25.458 ( -0.339 0.906 0.000) 0.968 25.467 ( -0.451 0.025 0.000) 0.451 39.521 ( -1.988 7.937 0.000) 8.183 39.651 ( -4.184 -6.172 0.000) 7.457 41.928 ( -0.133 0.120 0.000) 0.179 41.930 ( -0.188 -0.117 0.000) 0.222 48.636 ( 0.391 3.855 0.000) 3.875 48.686 ( -1.529 -1.265 0.000) 1.984 50.086 ( 16.679 12.969 0.000) 21.128 50.397 ( 12.493 -20.854 0.000) 24.309======================= Grid point 21 (14/120) =======================q-point: ( 0.38 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 6.531 6.462 0.000) 9.188 1.000 ( 1.853 -5.285 0.000) 5.601 1.667 ( -1.965 3.240 0.000) 3.789 1.761 ( -5.676 -6.623 0.000) 8.723 1.931 ( 16.945 6.646 0.000) 18.202 2.115 ( 10.635 -11.956 0.000) 16.002 2.157 ( -0.154 2.765 0.000) 2.769 2.190 ( -1.596 -0.684 0.000) 1.737 2.678 ( -12.085 4.871 0.000) 13.030 2.826 ( -0.124 3.412 0.000) 3.415 2.831 ( -13.768 -11.678 0.000) 18.053 2.873 ( -2.213 -1.540 0.000) 2.696 3.492 ( 14.728 13.690 0.000) 20.108 3.562 ( 6.427 0.838 0.000) 6.481 3.600 ( 4.957 -3.288 0.000) 5.948 3.697 ( 2.066 -5.496 0.000) 5.872 3.856 ( 0.759 0.581 0.000) 0.956 3.925 ( -3.346 1.645 0.000) 3.728 3.940 ( -1.716 -6.966 0.000) 7.175 3.943 ( -3.759 -0.376 0.000) 3.778 4.253 ( 14.430 6.892 0.000) 15.992 4.372 ( 18.713 -5.341 0.000) 19.460 4.946 ( -1.835 13.346 0.000) 13.471 5.105 ( 8.163 -3.007 0.000) 8.699 5.370 ( -16.395 13.925 0.000) 21.511 5.689 ( -16.100 -18.176 0.000) 24.281 9.937 ( 0.048 3.204 0.000) 3.205 9.986 ( -2.099 -1.929 0.000) 2.851 13.523 ( 0.637 0.306 0.000) 0.707 13.530 ( 0.297 -0.307 0.000) 0.427 13.999 ( 0.156 0.064 0.000) 0.168 14.000 ( 0.099 -0.064 0.000) 0.118 16.418 ( -0.524 0.054 0.000) 0.526 16.437 ( -1.150 -1.802 0.000) 2.138 22.190 ( 0.341 1.396 0.000) 1.437 22.223 ( -1.297 -2.163 0.000) 2.522 25.093 ( 0.028 0.027 0.000) 0.039 25.093 ( 0.005 -0.027 0.000) 0.027 25.447 ( -0.475 0.950 0.000) 1.062 25.455 ( -0.677 0.148 0.000) 0.693 39.504 ( 0.155 4.101 0.000) 4.104 39.573 ( -3.220 -3.329 0.000) 4.631 41.925 ( -0.102 0.058 0.000) 0.117 41.926 ( -0.157 -0.056 0.000) 0.167 48.650 ( 0.814 2.299 0.000) 2.439 48.671 ( -0.313 0.150 0.000) 0.347 50.370 ( 10.909 7.048 0.000) 12.988 50.545 ( 2.726 -11.649 0.000) 11.964======================= Grid point 22 (15/120) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( -3.009 1.432 0.000) 3.332 0.989 ( 3.009 1.432 0.000) 3.332 1.673 ( -2.579 -2.774 0.000) 3.788 1.673 ( 2.579 -2.774 0.000) 3.788 2.163 ( -0.857 1.438 0.000) 1.674 2.163 ( 0.857 1.438 0.000) 1.674 2.214 ( -7.244 2.636 0.000) 7.709 2.214 ( 7.244 2.636 0.000) 7.709 2.569 ( -7.449 -9.082 0.000) 11.746 2.569 ( 7.449 -9.082 0.000) 11.746 2.838 ( -1.201 0.707 0.000) 1.393 2.838 ( 1.201 0.707 0.000) 1.393 3.649 ( -1.154 -1.438 0.000) 1.844 3.649 ( 1.154 -1.438 0.000) 1.844 3.655 ( -4.313 4.040 0.000) 5.910 3.655 ( 4.313 4.040 0.000) 5.910 3.888 ( -0.667 0.864 0.000) 1.091 3.888 ( 0.667 0.864 0.000) 1.091 3.893 ( -2.493 -4.150 0.000) 4.841 3.893 ( 2.493 -4.150 0.000) 4.841 4.562 ( -7.742 6.966 0.000) 10.414 4.562 ( 7.742 6.966 0.000) 10.414 5.017 ( -13.516 9.918 0.000) 16.764 5.017 ( 13.516 9.918 0.000) 16.764 5.352 ( -15.198 -11.960 0.000) 19.339 5.352 ( 15.198 -11.960 0.000) 19.339 9.951 ( -1.269 0.749 0.000) 1.474 9.951 ( 1.269 0.749 0.000) 1.474 13.531 ( -0.158 -0.105 0.000) 0.190 13.531 ( 0.158 -0.105 0.000) 0.190 14.001 ( -0.030 -0.000 0.000) 0.030 14.001 ( 0.030 -0.000 0.000) 0.030 16.420 ( -0.549 -0.733 0.000) 0.916 16.420 ( 0.549 -0.733 0.000) 0.916 22.202 ( -0.828 -0.475 0.000) 0.954 22.202 ( 0.828 -0.475 0.000) 0.954 25.093 ( -0.013 0.000 0.000) 0.013 25.093 ( 0.013 0.000 0.000) 0.013 25.445 ( -0.236 0.543 0.000) 0.592 25.445 ( 0.236 0.543 0.000) 0.592 39.523 ( -1.716 0.216 0.000) 1.729 39.523 ( 1.716 0.216 0.000) 1.729 41.925 ( -0.025 0.001 0.000) 0.025 41.925 ( 0.025 0.001 0.000) 0.025 48.664 ( -0.473 1.212 0.000) 1.301 48.664 ( 0.473 1.212 0.000) 1.301 50.526 ( -4.399 -1.799 0.000) 4.753 50.526 ( 4.399 -1.799 0.000) 4.753======================= Grid point 45 (16/120) =======================q-point: ( 0.00 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.287 ( 0.000 0.000 16.966) 16.966 0.314 ( 0.000 0.000 16.949) 16.949 0.912 ( 0.000 0.000 46.460) 46.460 1.559 ( 0.000 0.000 24.523) 24.523 1.667 ( 0.000 0.000 22.881) 22.881 2.253 ( 0.000 0.000 8.394) 8.394 2.359 ( 0.000 0.000 16.047) 16.047 2.398 ( 0.000 0.000 6.992) 6.992 2.730 ( 0.000 0.000 4.512) 4.512 2.742 ( 0.000 0.000 14.134) 14.134 2.891 ( 0.000 0.000 6.557) 6.557 3.037 ( 0.000 0.000 8.723) 8.723 3.264 ( 0.000 0.000 0.173) 0.173 3.329 ( 0.000 0.000 11.026) 11.026 3.358 ( 0.000 0.000 -0.616) 0.616 3.615 ( 0.000 0.000 12.780) 12.780 4.066 ( 0.000 0.000 -1.757) 1.757 4.119 ( 0.000 0.000 10.135) 10.135 4.265 ( 0.000 0.000 -1.446) 1.446 4.283 ( 0.000 0.000 -2.833) 2.833 4.294 ( 0.000 0.000 -0.794) 0.794 4.463 ( 0.000 0.000 -0.598) 0.598 4.833 ( 0.000 0.000 -2.987) 2.987 4.844 ( 0.000 0.000 -2.944) 2.944 4.982 ( 0.000 0.000 -5.062) 5.062 6.292 ( 0.000 0.000 0.391) 0.391 9.882 ( 0.000 0.000 -0.974) 0.974 10.176 ( 0.000 0.000 -1.915) 1.915 13.405 ( 0.000 0.000 -0.104) 0.104 13.494 ( 0.000 0.000 -1.237) 1.237 14.023 ( 0.000 0.000 3.631) 3.631 14.673 ( 0.000 0.000 0.016) 0.016 16.518 ( 0.000 0.000 -0.214) 0.214 16.655 ( 0.000 0.000 -0.883) 0.883 22.045 ( 0.000 0.000 -1.172) 1.172 22.257 ( 0.000 0.000 -2.343) 2.343 25.100 ( 0.000 0.000 1.000) 1.000 25.103 ( 0.000 0.000 0.917) 0.917 25.427 ( 0.000 0.000 -0.335) 0.335 25.470 ( 0.000 0.000 -0.432) 0.432 39.169 ( 0.000 0.000 -1.274) 1.274 39.658 ( 0.000 0.000 -3.549) 3.549 41.917 ( 0.000 0.000 -1.040) 1.040 41.930 ( 0.000 0.000 -0.804) 0.804 48.454 ( 0.000 0.000 -3.133) 3.133 48.712 ( 0.000 0.000 -4.601) 4.601 49.133 ( 0.000 0.000 -8.327) 8.327 49.256 ( 0.000 0.000 -7.202) 7.202======================= Grid point 46 (17/120) =======================q-point: ( 0.12 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.798 ( 31.895 0.000 6.081) 32.469 0.910 ( 8.827 0.000 36.946) 37.986 1.226 ( 48.199 0.000 10.543) 49.339 1.544 ( -1.442 0.000 25.197) 25.238 1.692 ( 2.574 0.000 22.365) 22.512 2.267 ( -0.761 0.000 14.416) 14.436 2.339 ( -1.960 0.000 16.372) 16.489 2.526 ( 4.998 0.000 2.860) 5.758 2.612 ( -7.906 0.000 0.590) 7.928 2.700 ( 3.525 0.000 10.957) 11.510 2.812 ( -2.940 0.000 11.991) 12.346 3.075 ( 1.339 0.000 9.393) 9.488 3.291 ( -4.735 0.000 0.380) 4.750 3.367 ( 3.859 0.000 10.557) 11.240 3.569 ( 19.241 0.000 -2.737) 19.435 3.648 ( 3.305 0.000 12.996) 13.410 3.971 ( -6.656 0.000 -2.193) 7.008 4.096 ( -7.145 0.000 -1.915) 7.397 4.108 ( -2.172 0.000 8.535) 8.807 4.188 ( -7.170 0.000 2.139) 7.482 4.394 ( -5.400 0.000 7.694) 9.400 4.426 ( 5.202 0.000 -2.672) 5.849 4.670 ( -8.758 0.000 11.171) 14.194 4.713 ( -5.922 0.000 -3.049) 6.661 5.123 ( 7.874 0.000 -5.284) 9.483 6.396 ( 0.268 0.000 -13.783) 13.786 9.864 ( -1.416 0.000 -0.815) 1.633 10.151 ( -2.370 0.000 -1.816) 2.986 13.426 ( 2.022 0.000 -0.383) 2.058 13.498 ( 0.354 0.000 -1.158) 1.211 14.024 ( 0.091 0.000 3.559) 3.560 14.263 ( -15.801 0.000 16.591) 22.911 16.511 ( -0.338 0.000 -0.789) 0.858 16.604 ( -4.431 0.000 -0.584) 4.469 22.062 ( 1.573 0.000 -1.234) 1.999 22.313 ( 0.967 0.000 -5.467) 5.552 25.101 ( 0.041 0.000 1.021) 1.022 25.103 ( 0.004 0.000 0.920) 0.920 25.429 ( 0.362 0.000 -0.709) 0.796 25.456 ( -1.246 0.000 -0.351) 1.294 39.204 ( 3.208 0.000 -1.400) 3.501 39.775 ( 1.488 0.000 -8.966) 9.088 41.916 ( -0.016 0.000 -1.013) 1.013 41.923 ( -0.309 0.000 -1.127) 1.169 48.458 ( 1.085 0.000 -3.969) 4.115 48.672 ( -2.825 0.000 -4.519) 5.329 49.421 ( 14.470 0.000 -7.986) 16.528 50.244 ( 43.500 0.000 -55.548) 70.554======================= Grid point 47 (18/120) =======================q-point: ( 0.25 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 6.904 0.000 39.322) 39.923 1.422 ( 27.533 0.000 3.090) 27.706 1.504 ( -1.782 0.000 26.914) 26.973 1.755 ( 4.689 0.000 20.678) 21.203 2.180 ( 26.037 0.000 4.492) 26.422 2.226 ( -2.930 0.000 16.365) 16.625 2.338 ( 13.661 0.000 13.700) 19.347 2.427 ( -7.987 0.000 11.626) 14.105 2.454 ( -4.189 0.000 -1.012) 4.309 2.810 ( 2.082 0.000 12.683) 12.853 2.814 ( -2.724 0.000 -0.015) 2.724 3.059 ( -2.892 0.000 10.072) 10.479 3.317 ( 10.306 0.000 0.424) 10.314 3.507 ( 8.519 0.000 10.786) 13.745 3.738 ( 5.058 0.000 12.974) 13.925 3.763 ( -12.771 0.000 -1.924) 12.916 3.900 ( 5.073 0.000 -1.591) 5.317 4.009 ( -1.075 0.000 -1.942) 2.219 4.020 ( -2.300 0.000 0.302) 2.320 4.101 ( -0.683 0.000 11.920) 11.939 4.299 ( -1.470 0.000 6.857) 7.012 4.472 ( -1.571 0.000 -2.866) 3.269 4.502 ( -8.259 0.000 8.914) 12.152 4.688 ( 5.559 0.000 -3.129) 6.379 5.221 ( 1.164 0.000 -5.911) 6.024 6.280 ( -10.575 0.000 -11.658) 15.739 9.841 ( -0.517 0.000 -0.557) 0.760 10.085 ( -4.023 0.000 -1.534) 4.305 13.475 ( 2.427 0.000 -0.826) 2.564 13.508 ( 0.574 0.000 -1.005) 1.158 14.027 ( 0.199 0.000 3.440) 3.446 14.096 ( -3.669 0.000 8.570) 9.323 16.500 ( -0.834 0.000 -1.233) 1.489 16.507 ( -4.355 0.000 -0.137) 4.357 22.104 ( 2.411 0.000 -1.397) 2.786 22.296 ( -1.905 0.000 -3.640) 4.108 25.102 ( 0.035 0.000 1.022) 1.022 25.103 ( -0.000 0.000 0.929) 0.929 25.428 ( -1.278 0.000 -0.217) 1.296 25.436 ( 0.087 0.000 -0.989) 0.992 39.287 ( 4.671 0.000 -1.652) 4.955 39.721 ( -5.080 0.000 -5.015) 7.138 41.916 ( -0.046 0.000 -0.958) 0.959 41.919 ( -0.183 0.000 -1.300) 1.313 48.490 ( 1.896 0.000 -4.381) 4.774 48.623 ( -1.873 0.000 -4.541) 4.913 49.775 ( 19.010 0.000 -9.690) 21.337 50.664 ( 5.841 0.000 -32.122) 32.648======================= Grid point 48 (19/120) =======================q-point: ( 0.38 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( 7.046 0.000 36.538) 37.211 1.429 ( -4.290 0.000 30.555) 30.855 1.866 ( 6.264 0.000 19.305) 20.295 1.912 ( 17.604 0.000 1.509) 17.668 2.151 ( -4.468 0.000 17.342) 17.908 2.220 ( -1.481 0.000 13.750) 13.829 2.283 ( -5.355 0.000 13.173) 14.220 2.299 ( -5.833 0.000 1.817) 6.109 2.755 ( 2.239 0.000 0.187) 2.247 2.840 ( 4.340 0.000 10.321) 11.196 2.988 ( -3.642 0.000 10.089) 10.726 3.097 ( 29.224 0.000 0.252) 29.225 3.397 ( -20.774 0.000 -0.936) 20.795 3.489 ( 3.492 0.000 -0.587) 3.541 3.676 ( 8.150 0.000 10.133) 13.004 3.836 ( 4.736 0.000 10.763) 11.759 3.901 ( 1.934 0.000 -1.333) 2.350 3.962 ( -4.863 0.000 10.089) 11.200 4.054 ( 4.845 0.000 0.801) 4.911 4.062 ( -4.973 0.000 9.661) 10.866 4.334 ( -8.109 0.000 5.908) 10.033 4.355 ( -9.642 0.000 -2.544) 9.972 4.471 ( 14.980 0.000 -1.758) 15.083 4.896 ( 7.102 0.000 -3.208) 7.793 5.225 ( 5.390 0.000 -6.684) 8.587 5.987 ( -17.900 0.000 -9.059) 20.062 9.853 ( 1.772 0.000 -0.513) 1.845 9.996 ( -4.512 0.000 -1.137) 4.653 13.514 ( 1.244 0.000 -0.947) 1.564 13.520 ( 0.542 0.000 -0.919) 1.067 14.032 ( 0.298 0.000 3.467) 3.480 14.054 ( -1.081 0.000 5.074) 5.188 16.447 ( -1.356 0.000 -0.154) 1.365 16.475 ( -1.507 0.000 -1.112) 1.873 22.155 ( 2.508 0.000 -1.630) 2.991 22.252 ( -2.318 0.000 -2.550) 3.446 25.102 ( 0.036 0.000 0.991) 0.992 25.103 ( -0.013 0.000 0.942) 0.942 25.411 ( -0.307 0.000 -0.226) 0.382 25.430 ( -0.634 0.000 -0.813) 1.031 39.386 ( 4.991 0.000 -1.911) 5.345 39.605 ( -5.881 0.000 -3.124) 6.659 41.915 ( -0.051 0.000 -0.941) 0.942 41.916 ( -0.119 0.000 -1.171) 1.177 48.529 ( 1.913 0.000 -4.641) 5.019 48.593 ( -1.318 0.000 -4.683) 4.865 50.152 ( 17.283 0.000 -11.785) 20.919 50.647 ( -5.842 0.000 -20.038) 20.872======================= Grid point 49 (20/120) =======================q-point: (-0.50 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 1.325 ( -5.933 0.000 33.710) 34.229 1.325 ( 5.933 0.000 33.710) 34.229 2.000 ( -6.223 0.000 16.991) 18.095 2.000 ( 6.223 0.000 16.991) 18.095 2.170 ( -5.600 0.000 3.134) 6.417 2.170 ( 5.600 0.000 3.134) 6.417 2.224 ( -0.376 0.000 13.259) 13.265 2.224 ( 0.376 0.000 13.259) 13.265 2.914 ( -3.338 0.000 10.359) 10.883 2.914 ( 3.338 0.000 10.359) 10.883 2.981 ( -17.959 0.000 0.073) 17.959 2.981 ( 17.959 0.000 0.073) 17.959 3.458 ( -6.934 0.000 -0.984) 7.003 3.458 ( 6.934 0.000 -0.984) 7.003 3.837 ( -7.301 0.000 10.065) 12.434 3.837 ( 7.301 0.000 10.065) 12.434 3.940 ( -5.290 0.000 8.970) 10.413 3.940 ( 5.290 0.000 8.970) 10.413 4.093 ( -13.639 0.000 -1.456) 13.716 4.093 ( 13.639 0.000 -1.456) 13.716 4.180 ( -6.529 0.000 3.634) 7.472 4.180 ( 6.529 0.000 3.634) 7.472 4.774 ( -13.423 0.000 -3.201) 13.800 4.774 ( 13.423 0.000 -3.201) 13.800 5.571 ( -21.988 0.000 -7.298) 23.168 5.571 ( 21.988 0.000 -7.298) 23.168 9.910 ( -3.712 0.000 -0.745) 3.786 9.910 ( 3.712 0.000 -0.745) 3.786 13.526 ( -0.021 0.000 -0.927) 0.927 13.526 ( 0.021 0.000 -0.927) 0.927 14.040 ( -0.457 0.000 3.854) 3.881 14.040 ( 0.457 0.000 3.854) 3.881 16.447 ( -1.020 0.000 -0.621) 1.194 16.447 ( 1.020 0.000 -0.621) 1.194 22.204 ( -2.368 0.000 -1.968) 3.078 22.204 ( 2.368 0.000 -1.968) 3.078 25.103 ( -0.028 0.000 0.962) 0.963 25.103 ( 0.028 0.000 0.962) 0.963 25.415 ( -0.606 0.000 -0.467) 0.765 25.415 ( 0.606 0.000 -0.467) 0.765 39.491 ( -5.360 0.000 -2.294) 5.830 39.491 ( 5.360 0.000 -2.294) 5.830 41.914 ( -0.017 0.000 -1.015) 1.015 41.914 ( 0.017 0.000 -1.015) 1.015 48.565 ( -1.521 0.000 -4.750) 4.988 48.565 ( 1.521 0.000 -4.750) 4.988 50.457 ( -12.457 0.000 -14.686) 19.258 50.457 ( 12.457 0.000 -14.686) 19.258======================= Grid point 54 (21/120) =======================q-point: ( 0.00 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 0.000 24.963 7.181) 25.976 0.798 ( 0.000 16.815 24.087) 29.375 1.152 ( 0.000 36.403 22.877) 42.995 1.403 ( 0.000 -10.222 27.803) 29.622 1.828 ( 0.000 11.014 19.836) 22.689 2.086 ( 0.000 -19.539 0.662) 19.550 2.335 ( 0.000 -1.467 16.292) 16.358 2.354 ( 0.000 -0.499 16.102) 16.110 2.495 ( 0.000 -12.750 12.834) 18.091 2.962 ( 0.000 9.090 12.895) 15.777 3.029 ( 0.000 14.187 0.016) 14.187 3.055 ( 0.000 1.866 8.621) 8.821 3.172 ( 0.000 -11.630 -1.024) 11.675 3.319 ( 0.000 -0.860 11.073) 11.107 3.384 ( 0.000 1.812 0.508) 1.882 3.566 ( 0.000 -5.036 12.545) 13.518 4.035 ( 0.000 -2.319 -2.061) 3.102 4.101 ( 0.000 -12.427 1.669) 12.539 4.127 ( 0.000 -5.515 -0.643) 5.553 4.178 ( 0.000 -3.669 8.097) 8.890 4.247 ( 0.000 -7.385 0.009) 7.385 4.416 ( 0.000 -1.299 9.691) 9.777 4.767 ( 0.000 -0.464 0.061) 0.468 4.791 ( 0.000 0.967 -3.549) 3.679 5.359 ( 0.000 24.915 -4.925) 25.397 6.261 ( 0.000 -5.395 -6.404) 8.373 9.909 ( 0.000 2.972 -1.033) 3.146 10.150 ( 0.000 -2.944 -1.840) 3.472 13.405 ( 0.000 0.395 -0.459) 0.606 13.484 ( 0.000 -1.103 -1.296) 1.701 14.030 ( 0.000 0.708 4.092) 4.153 14.303 ( 0.000 -18.463 17.096) 25.162 16.525 ( 0.000 1.175 -0.644) 1.340 16.640 ( 0.000 -1.510 -0.932) 1.775 22.201 ( 0.000 7.178 -8.746) 11.314 22.261 ( 0.000 0.353 -2.597) 2.621 25.101 ( 0.000 0.057 1.010) 1.012 25.104 ( 0.000 0.012 0.976) 0.976 25.432 ( 0.000 0.474 -0.373) 0.603 25.467 ( 0.000 -0.382 -0.436) 0.580 39.469 ( 0.000 14.788 -15.032) 21.087 39.658 ( 0.000 -0.101 -3.911) 3.912 41.917 ( 0.000 0.044 -1.098) 1.099 41.924 ( 0.000 -0.346 -1.028) 1.085 48.496 ( 0.000 4.888 -3.630) 6.088 48.999 ( 0.000 -10.291 -6.709) 12.285 49.173 ( 0.000 24.133 -27.992) 36.959 49.349 ( 0.000 5.774 -9.284) 10.934======================= Grid point 55 (22/120) =======================q-point: ( 0.12 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 18.562 8.924 14.666) 25.284 0.970 ( 12.502 7.696 26.975) 30.711 1.400 ( 3.344 -6.492 25.734) 26.750 1.594 ( 35.608 28.808 8.586) 46.600 1.818 ( -0.590 9.180 19.450) 21.516 2.194 ( 5.253 -14.150 3.935) 15.598 2.313 ( -3.211 -4.296 15.561) 16.460 2.349 ( 1.213 -4.932 13.304) 14.240 2.473 ( -1.976 -7.790 12.588) 14.935 2.881 ( -2.702 7.057 3.657) 8.395 2.899 ( -2.638 10.074 10.435) 14.743 3.089 ( 0.052 0.984 9.398) 9.450 3.264 ( -3.208 -3.476 0.271) 4.738 3.360 ( 3.991 -0.458 9.873) 10.659 3.510 ( 13.189 -7.893 0.104) 15.371 3.607 ( 4.866 -4.433 11.595) 13.334 3.954 ( -3.360 -0.359 -1.879) 3.866 4.026 ( -7.619 -7.068 -0.740) 10.419 4.116 ( -4.441 -2.079 -0.718) 4.956 4.153 ( -0.542 -0.443 7.777) 7.809 4.191 ( -1.143 -10.244 5.523) 11.694 4.441 ( -1.388 -4.420 10.578) 11.548 4.729 ( -1.062 7.729 0.230) 7.805 4.794 ( -1.295 5.796 -2.851) 6.587 5.370 ( 0.425 19.945 -5.447) 20.679 6.277 ( -1.427 -11.179 -10.644) 15.501 9.893 ( -1.383 3.013 -0.879) 3.430 10.128 ( -2.065 -2.653 -1.769) 3.798 13.428 ( 2.086 0.465 -0.765) 2.270 13.494 ( 0.784 -0.568 -1.427) 1.724 14.030 ( 0.020 0.614 3.960) 4.007 14.181 ( -7.174 -6.270 13.681) 16.672 16.493 ( -1.768 -0.519 -0.184) 1.851 16.593 ( -4.131 -1.448 -0.714) 4.435 22.129 ( -2.117 5.264 -2.636) 6.256 22.301 ( 0.179 -1.352 -4.796) 4.986 25.101 ( 0.033 0.031 1.011) 1.012 25.104 ( -0.026 0.003 0.973) 0.973 25.435 ( 0.321 0.598 -0.624) 0.922 25.463 ( -0.658 0.345 -0.707) 1.025 39.353 ( -3.181 11.899 -4.329) 13.055 39.743 ( 0.832 -3.283 -7.575) 8.298 41.917 ( -0.023 0.037 -1.071) 1.071 41.922 ( -0.179 -0.142 -1.236) 1.257 48.497 ( 0.566 4.208 -4.076) 5.886 48.718 ( -6.970 2.390 -5.274) 9.061 49.466 ( 14.674 4.987 -9.402) 18.127 50.057 ( 37.556 -15.760 -37.597) 55.429======================= Grid point 56 (23/120) =======================q-point: ( 0.25 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 7.212 2.737 37.257) 38.048 1.392 ( 12.166 -4.247 15.321) 20.020 1.472 ( 13.530 0.855 15.846) 20.854 1.808 ( 0.532 4.725 19.108) 19.691 2.184 ( -3.789 -5.731 14.502) 16.047 2.255 ( -1.108 -1.896 11.602) 11.808 2.304 ( 7.251 -8.256 5.200) 12.157 2.382 ( 0.824 0.138 10.157) 10.192 2.487 ( 22.601 14.557 6.458) 27.649 2.854 ( -0.012 3.971 8.416) 9.306 2.875 ( -3.472 6.234 3.403) 7.905 3.057 ( -2.992 -0.640 9.868) 10.332 3.235 ( 2.398 -7.324 0.877) 7.756 3.503 ( 8.248 0.083 10.574) 13.411 3.682 ( 5.592 -5.688 9.943) 12.747 3.742 ( 0.217 -6.046 1.101) 6.149 3.873 ( -3.166 -2.459 -0.417) 4.031 3.950 ( 3.632 0.235 -1.355) 3.884 4.042 ( -1.627 -0.764 -0.825) 1.978 4.137 ( -0.280 1.679 10.867) 11.000 4.180 ( 0.649 -9.179 0.946) 9.251 4.363 ( -5.061 -4.818 13.122) 14.867 4.703 ( -2.395 13.938 -1.973) 14.279 4.801 ( 4.257 9.336 -3.062) 10.708 5.338 ( -4.280 11.032 -5.984) 13.260 6.160 ( -9.908 -12.284 -10.447) 18.926 9.869 ( -0.611 2.963 -0.646) 3.093 10.070 ( -3.471 -1.728 -1.521) 4.165 13.476 ( 2.228 0.208 -1.035) 2.466 13.509 ( 0.674 -0.012 -1.205) 1.381 14.031 ( 0.100 0.398 3.699) 3.722 14.084 ( -2.685 -1.137 7.702) 8.235 16.462 ( -1.677 -2.124 -0.329) 2.726 16.508 ( -3.335 -1.126 -0.528) 3.560 22.125 ( 1.088 2.160 -1.611) 2.906 22.277 ( -1.884 -1.954 -3.311) 4.282 25.102 ( 0.034 0.016 1.005) 1.005 25.103 ( -0.008 -0.012 0.952) 0.952 25.435 ( -0.595 0.740 -0.488) 1.068 25.447 ( -0.504 0.901 -0.938) 1.395 39.354 ( 2.157 6.505 -2.270) 7.219 39.692 ( -4.542 -3.147 -4.675) 7.238 41.916 ( -0.055 0.018 -1.008) 1.010 41.918 ( -0.157 -0.049 -1.294) 1.304 48.520 ( 1.536 3.146 -4.528) 5.724 48.636 ( -2.211 0.946 -4.741) 5.316 49.816 ( 18.311 4.635 -10.457) 21.590 50.508 ( 9.822 -15.121 -27.001) 32.467======================= Grid point 57 (24/120) =======================q-point: ( 0.38 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( 6.773 2.510 35.516) 36.243 1.414 ( -2.107 -1.906 30.431) 30.564 1.849 ( 4.067 -1.262 18.270) 18.760 1.886 ( 16.460 -1.187 2.647) 16.714 2.087 ( -4.204 -5.593 17.220) 18.587 2.233 ( -0.760 0.247 10.492) 10.522 2.295 ( -2.822 -0.438 7.925) 8.424 2.321 ( -2.402 1.692 10.954) 11.341 2.676 ( -1.458 -4.543 0.369) 4.785 2.882 ( 2.075 3.236 11.275) 11.913 2.983 ( -3.875 -1.744 8.913) 9.874 3.093 ( -2.858 -11.294 1.383) 11.732 3.256 ( 15.485 7.380 -0.478) 17.160 3.645 ( -4.354 6.399 -1.034) 7.808 3.668 ( 7.579 -0.652 10.126) 12.665 3.788 ( 3.729 -4.383 11.091) 12.495 3.889 ( 3.168 -1.712 -0.971) 3.730 3.980 ( -0.435 1.738 6.562) 6.802 4.007 ( -3.245 -3.411 3.457) 5.841 4.147 ( 2.630 4.330 7.193) 8.798 4.188 ( -5.201 -4.963 5.568) 9.093 4.427 ( 11.639 -1.196 0.862) 11.732 4.624 ( -3.069 15.711 -3.451) 16.376 4.981 ( 8.075 8.058 -3.528) 11.941 5.216 ( -2.755 -0.480 -6.397) 6.982 5.884 ( -16.957 -10.957 -8.528) 21.917 9.876 ( 1.364 2.379 -0.611) 2.810 9.994 ( -3.830 -0.355 -1.158) 4.017 13.510 ( 1.123 -0.181 -1.018) 1.527 13.521 ( 0.435 -0.019 -1.032) 1.120 14.034 ( 0.212 0.182 3.584) 3.595 14.051 ( -0.892 -0.257 4.879) 4.967 16.431 ( -0.789 -1.308 -0.177) 1.538 16.463 ( -1.621 -1.348 -0.778) 2.247 22.157 ( 1.874 0.390 -1.639) 2.520 22.237 ( -2.016 -1.532 -2.386) 3.479 25.102 ( 0.033 0.008 0.983) 0.983 25.103 ( -0.010 -0.010 0.949) 0.949 25.422 ( -0.357 1.036 -0.371) 1.157 25.437 ( -0.637 0.665 -0.838) 1.245 39.414 ( 3.542 2.906 -2.075) 5.029 39.590 ( -5.063 -1.661 -3.027) 6.128 41.915 ( -0.056 0.003 -0.972) 0.974 41.915 ( -0.110 -0.018 -1.159) 1.164 48.554 ( 1.602 2.386 -4.801) 5.596 48.605 ( -1.124 1.164 -4.833) 5.097 50.167 ( 15.577 1.986 -12.062) 19.801 50.565 ( -2.695 -8.300 -18.588) 20.534======================= Grid point 58 (25/120) =======================q-point: (-0.50 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -5.100 1.282 33.188) 33.602 1.338 ( 5.099 1.282 33.188) 33.602 1.944 ( -5.004 -4.770 17.533) 18.846 1.944 ( 5.004 -4.770 17.533) 18.846 2.176 ( -7.018 0.848 2.922) 7.649 2.176 ( 7.018 0.848 2.922) 7.649 2.267 ( -1.707 3.532 12.952) 13.533 2.267 ( 1.707 3.532 12.952) 13.533 2.806 ( -12.867 -13.607 0.548) 18.736 2.806 ( 12.867 -13.607 0.548) 18.736 2.938 ( -3.651 0.836 10.913) 11.538 2.938 ( 3.651 0.836 10.913) 11.538 3.536 ( -7.691 5.947 -1.324) 9.812 3.536 ( 7.691 5.947 -1.324) 9.812 3.797 ( -3.949 -3.245 9.596) 10.873 3.797 ( 3.949 -3.245 9.596) 10.873 3.938 ( -2.345 -1.877 3.301) 4.463 3.938 ( 2.345 -1.877 3.301) 4.463 4.042 ( -6.883 -1.252 8.734) 11.191 4.042 ( 6.883 -1.252 8.734) 11.191 4.342 ( -12.427 12.819 -0.593) 17.863 4.342 ( 12.427 12.819 -0.593) 17.863 4.826 ( -14.901 5.360 -3.732) 16.269 4.826 ( 14.901 5.360 -3.732) 16.269 5.492 ( -20.509 -8.406 -6.868) 23.204 5.492 ( 20.509 -8.406 -6.868) 23.204 9.922 ( -3.064 1.153 -0.811) 3.373 9.922 ( 3.064 1.153 -0.811) 3.373 13.524 ( -0.248 -0.227 -0.984) 1.040 13.524 ( 0.248 -0.227 -0.984) 1.040 14.040 ( -0.370 0.000 3.850) 3.868 14.040 ( 0.370 0.000 3.850) 3.868 16.435 ( -1.008 -1.091 -0.508) 1.570 16.435 ( 1.008 -1.091 -0.508) 1.570 22.197 ( -1.942 -0.712 -1.895) 2.805 22.197 ( 1.942 -0.712 -1.895) 2.805 25.103 ( -0.023 -0.001 0.962) 0.962 25.103 ( 0.023 -0.001 0.962) 0.962 25.424 ( -0.484 0.823 -0.541) 1.098 25.424 ( 0.484 0.823 -0.541) 1.098 39.494 ( -4.316 0.345 -2.302) 4.903 39.494 ( 4.316 0.345 -2.302) 4.903 41.914 ( -0.013 -0.006 -1.022) 1.022 41.914 ( 0.013 -0.006 -1.022) 1.022 48.583 ( -1.235 1.735 -4.904) 5.346 48.583 ( 1.235 1.735 -4.904) 5.346 50.431 ( -10.045 -2.522 -14.362) 17.707 50.431 ( 10.045 -2.522 -14.362) 17.707======================= Grid point 63 (26/120) =======================q-point: ( 0.00 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 0.000 7.722 31.564) 32.495 1.017 ( 0.000 13.005 9.887) 16.336 1.283 ( 0.000 4.299 24.802) 25.171 1.642 ( 0.000 -23.301 5.499) 23.941 1.965 ( 0.000 38.979 1.287) 39.000 2.030 ( 0.000 10.880 16.098) 19.430 2.282 ( 0.000 -7.253 15.724) 17.316 2.337 ( 0.000 0.498 16.453) 16.460 2.342 ( 0.000 -0.837 16.150) 16.172 2.756 ( 0.000 -33.646 -0.124) 33.646 3.096 ( 0.000 3.902 9.578) 10.342 3.098 ( 0.000 2.123 8.724) 8.979 3.258 ( 0.000 10.322 3.466) 10.889 3.328 ( 0.000 2.891 9.021) 9.472 3.388 ( 0.000 -1.976 1.661) 2.581 3.434 ( 0.000 -9.109 12.027) 15.088 3.907 ( 0.000 -1.572 -1.269) 2.020 3.969 ( 0.000 -5.388 -1.966) 5.735 4.076 ( 0.000 0.670 -1.482) 1.627 4.131 ( 0.000 -4.695 -1.464) 4.917 4.238 ( 0.000 4.157 14.796) 15.369 4.328 ( 0.000 -5.645 16.896) 17.814 4.804 ( 0.000 2.163 -2.963) 3.668 4.816 ( 0.000 0.790 -3.307) 3.400 5.776 ( 0.000 20.254 -6.176) 21.175 6.086 ( 0.000 -13.559 -7.326) 15.412 9.983 ( 0.000 4.866 -1.211) 5.014 10.075 ( 0.000 -4.909 -1.498) 5.132 13.424 ( 0.000 1.596 -1.238) 2.020 13.457 ( 0.000 -1.769 -1.395) 2.253 14.052 ( 0.000 1.917 5.789) 6.098 14.112 ( 0.000 -5.333 9.976) 11.312 16.559 ( 0.000 2.337 -1.008) 2.545 16.603 ( 0.000 -2.412 -1.022) 2.620 22.264 ( 0.000 1.071 -5.471) 5.575 22.268 ( 0.000 0.303 -3.478) 3.491 25.102 ( 0.000 0.089 1.033) 1.037 25.103 ( 0.000 -0.076 1.040) 1.043 25.443 ( 0.000 0.746 -0.426) 0.859 25.457 ( 0.000 -0.676 -0.441) 0.807 39.616 ( 0.000 3.667 -8.840) 9.571 39.651 ( 0.000 -0.811 -5.291) 5.352 41.918 ( 0.000 0.087 -1.228) 1.231 41.920 ( 0.000 -0.151 -1.286) 1.295 48.623 ( 0.000 8.760 -4.395) 9.800 48.804 ( 0.000 -10.693 -5.422) 11.989 49.409 ( 0.000 4.888 -19.029) 19.647 49.425 ( 0.000 2.186 -12.539) 12.728======================= Grid point 64 (27/120) =======================q-point: ( 0.12 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 5.074 7.775 31.057) 32.415 1.143 ( 7.961 -0.594 19.123) 20.723 1.362 ( 8.135 13.583 15.916) 22.450 1.748 ( 7.436 -21.972 3.320) 23.433 2.011 ( -1.429 8.988 17.430) 19.663 2.159 ( 3.506 0.192 10.894) 11.446 2.270 ( 8.700 15.773 9.476) 20.354 2.346 ( 1.407 1.336 15.012) 15.137 2.403 ( 8.658 7.451 13.720) 17.853 2.878 ( 11.970 -19.790 0.888) 23.146 3.021 ( -3.376 4.383 9.819) 11.271 3.083 ( -3.253 -1.048 7.675) 8.401 3.199 ( -5.986 2.864 2.396) 7.055 3.320 ( -4.369 -7.761 1.198) 8.986 3.388 ( 5.754 2.641 10.834) 12.548 3.489 ( 5.083 -7.188 11.991) 14.876 3.927 ( -2.893 -0.883 -0.842) 3.139 3.964 ( 3.047 -3.068 -1.329) 4.524 4.032 ( -3.612 0.878 -1.407) 3.975 4.085 ( -3.362 -2.886 -0.769) 4.497 4.242 ( -0.050 5.304 14.560) 15.496 4.346 ( -0.698 -5.793 14.696) 15.812 4.835 ( 2.991 4.146 -3.323) 6.098 4.868 ( 4.126 1.059 -3.465) 5.491 5.729 ( -4.664 18.542 -6.527) 20.203 6.035 ( -4.997 -15.026 -8.058) 17.767 9.967 ( -1.365 4.872 -1.083) 5.174 10.058 ( -1.559 -4.765 -1.423) 5.212 13.447 ( 1.892 1.452 -1.374) 2.752 13.475 ( 1.457 -1.468 -1.559) 2.590 14.048 ( -0.309 1.539 5.371) 5.596 14.091 ( -1.621 -3.406 8.480) 9.281 16.509 ( -3.677 1.999 -0.364) 4.201 16.554 ( -4.108 -2.615 -0.617) 4.909 22.211 ( -2.787 3.632 -3.194) 5.582 22.266 ( -1.394 -2.439 -3.772) 4.704 25.102 ( 0.006 0.069 1.016) 1.018 25.103 ( -0.020 -0.058 1.015) 1.017 25.449 ( 0.368 0.841 -0.644) 1.122 25.461 ( 0.149 -0.477 -0.737) 0.890 39.540 ( -3.909 8.296 -5.230) 10.557 39.663 ( -1.254 -5.417 -5.827) 8.054 41.918 ( -0.042 0.071 -1.203) 1.206 41.919 ( -0.080 -0.108 -1.300) 1.307 48.598 ( -1.364 6.346 -4.541) 7.922 48.702 ( -5.247 -4.071 -5.115) 8.383 49.596 ( 16.466 8.952 -12.979) 22.797 49.790 ( 24.608 -12.629 -20.346) 34.336======================= Grid point 65 (28/120) =======================q-point: ( 0.25 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 6.624 5.881 32.980) 34.149 1.275 ( 5.261 -7.317 28.401) 29.796 1.605 ( 14.673 12.735 4.517) 19.947 1.855 ( 2.314 -7.112 6.388) 9.835 2.001 ( 1.662 -4.356 14.630) 15.355 2.086 ( -4.364 -7.681 17.583) 19.678 2.320 ( -0.466 2.322 15.013) 15.198 2.359 ( -0.943 -1.867 13.870) 14.027 2.838 ( 7.573 15.562 0.863) 17.328 2.962 ( 2.723 8.252 9.384) 12.789 2.992 ( -4.529 -1.878 3.084) 5.792 3.053 ( 3.266 9.482 4.420) 10.959 3.105 ( 0.934 -4.783 5.280) 7.185 3.439 ( 18.242 -21.547 -0.838) 28.244 3.528 ( 7.313 2.641 10.837) 13.338 3.605 ( 5.901 -5.650 11.436) 14.054 3.865 ( -2.403 2.210 -0.586) 3.317 3.944 ( -2.975 -5.275 -1.603) 6.264 4.010 ( 0.574 1.415 -0.344) 1.565 4.048 ( 1.330 -2.342 -0.371) 2.719 4.220 ( -1.777 4.169 12.929) 13.700 4.291 ( -3.430 -3.675 13.884) 14.766 4.911 ( 3.033 7.329 -3.780) 8.787 4.940 ( 3.571 4.023 -3.675) 6.514 5.579 ( -10.306 15.147 -6.743) 19.523 5.880 ( -10.356 -17.089 -8.341) 21.653 9.940 ( -1.074 4.489 -0.913) 4.705 10.019 ( -2.158 -3.834 -1.281) 4.583 13.486 ( 1.695 0.868 -1.372) 2.347 13.502 ( 1.073 -0.754 -1.435) 1.944 14.042 ( -0.270 0.840 4.527) 4.612 14.061 ( -1.156 -1.242 5.972) 6.208 16.446 ( -2.279 0.525 -0.059) 2.340 16.474 ( -3.087 -2.184 -0.232) 3.788 22.174 ( -0.805 3.060 -2.068) 3.780 22.231 ( -1.686 -2.994 -2.662) 4.347 25.102 ( 0.018 0.040 0.988) 0.989 25.103 ( -0.002 -0.038 0.976) 0.977 25.450 ( -0.292 0.760 -0.747) 1.105 25.457 ( -0.454 0.111 -0.919) 1.031 39.488 ( -1.319 7.475 -3.202) 8.238 39.610 ( -3.300 -5.726 -3.968) 7.709 41.916 ( -0.079 0.037 -1.126) 1.130 41.917 ( -0.114 -0.053 -1.240) 1.247 48.588 ( 0.251 3.716 -4.826) 6.096 48.637 ( -1.557 -1.294 -4.947) 5.346 49.953 ( 16.760 10.638 -13.128) 23.800 50.203 ( 14.568 -16.353 -18.646) 28.763======================= Grid point 66 (29/120) =======================q-point: ( 0.38 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 5.575 4.192 33.023) 33.752 1.357 ( 2.491 -4.098 30.903) 31.272 1.849 ( 1.031 1.818 15.045) 15.189 1.890 ( 5.227 -0.466 8.692) 10.153 2.015 ( 4.689 0.803 13.228) 14.057 2.137 ( 7.819 -9.336 4.881) 13.119 2.309 ( -0.285 1.686 13.944) 14.048 2.330 ( -1.098 -0.486 13.393) 13.446 2.677 ( -11.403 4.647 0.381) 12.319 2.821 ( -12.414 -10.800 0.024) 16.454 2.947 ( -0.290 3.547 11.565) 12.100 2.998 ( -2.884 -1.965 11.420) 11.941 3.473 ( 13.822 13.041 -1.296) 19.048 3.662 ( 3.840 -2.155 5.012) 6.672 3.675 ( 4.014 -2.851 3.689) 6.152 3.711 ( 3.853 -3.408 10.061) 11.300 3.848 ( 0.914 0.473 -0.308) 1.074 3.913 ( -1.120 -4.868 -1.109) 5.117 4.045 ( 0.698 3.439 9.542) 10.167 4.102 ( -1.540 -3.051 12.024) 12.501 4.262 ( 10.583 6.087 2.527) 12.468 4.368 ( 15.849 -5.001 0.678) 16.633 4.905 ( -2.385 13.012 -4.109) 13.853 5.060 ( 7.476 -3.174 -4.523) 9.296 5.309 ( -15.663 13.622 -5.998) 21.607 5.616 ( -15.279 -17.380 -7.257) 24.253 9.929 ( 0.047 3.057 -0.852) 3.174 9.975 ( -2.000 -1.837 -1.085) 2.924 13.511 ( 0.765 0.247 -1.167) 1.417 13.517 ( 0.413 -0.370 -1.178) 1.302 14.039 ( -0.050 0.329 3.924) 3.938 14.045 ( -0.465 -0.376 4.415) 4.456 16.417 ( -0.614 0.022 -0.143) 0.631 16.433 ( -1.202 -1.600 -0.341) 2.030 22.172 ( 0.393 1.279 -1.752) 2.205 22.203 ( -1.083 -1.960 -2.039) 3.029 25.103 ( 0.021 0.019 0.970) 0.970 25.103 ( 0.002 -0.020 0.960) 0.960 25.441 ( -0.441 0.806 -0.644) 1.122 25.446 ( -0.574 0.204 -0.818) 1.020 39.480 ( 0.358 3.895 -2.425) 4.602 39.546 ( -2.817 -3.153 -2.772) 5.056 41.915 ( -0.070 0.010 -1.046) 1.048 41.915 ( -0.089 -0.019 -1.116) 1.120 48.600 ( 0.727 2.199 -5.071) 5.575 48.620 ( -0.385 0.058 -5.081) 5.096 50.237 ( 10.845 6.027 -13.203) 18.118 50.387 ( 4.115 -9.920 -15.611) 18.949======================= Grid point 67 (30/120) =======================q-point: (-0.50 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( -2.195 0.890 32.216) 32.303 1.361 ( 2.195 0.890 32.216) 32.303 1.869 ( -2.125 -2.546 18.203) 18.503 1.869 ( 2.125 -2.546 18.203) 18.503 2.203 ( -4.701 1.620 3.158) 5.890 2.203 ( 4.701 1.620 3.158) 5.890 2.325 ( -2.514 2.482 12.241) 12.740 2.325 ( 2.514 2.482 12.241) 12.740 2.577 ( -7.256 -8.853 1.106) 11.500 2.577 ( 7.256 -8.853 1.106) 11.500 2.958 ( -1.242 0.786 11.638) 11.730 2.958 ( 1.242 0.786 11.638) 11.730 3.627 ( -4.137 3.365 -1.915) 5.666 3.627 ( 4.137 3.365 -1.915) 5.666 3.747 ( -0.901 -1.812 8.644) 8.878 3.747 ( 0.901 -1.812 8.644) 8.878 3.882 ( -1.638 -2.690 0.401) 3.175 3.882 ( 1.638 -2.690 0.401) 3.175 4.045 ( -1.618 0.497 13.891) 13.994 4.045 ( 1.618 0.497 13.891) 13.994 4.547 ( -8.042 7.061 -1.347) 10.786 4.547 ( 8.042 7.061 -1.347) 10.786 4.959 ( -13.059 8.253 -5.868) 16.526 4.959 ( 13.059 8.253 -5.868) 16.526 5.298 ( -14.105 -10.655 -5.350) 18.469 5.298 ( 14.105 -10.655 -5.350) 18.469 9.942 ( -1.208 0.712 -0.915) 1.674 9.942 ( 1.208 0.712 -0.915) 1.674 13.520 ( -0.155 -0.144 -1.076) 1.096 13.520 ( 0.155 -0.144 -1.076) 1.096 14.040 ( -0.142 -0.000 3.843) 3.846 14.040 ( 0.142 -0.000 3.843) 3.846 16.417 ( -0.479 -0.667 -0.327) 0.884 16.417 ( 0.479 -0.667 -0.327) 0.884 22.184 ( -0.758 -0.432 -1.780) 1.982 22.184 ( 0.758 -0.432 -1.780) 1.982 25.103 ( -0.010 -0.000 0.961) 0.961 25.103 ( 0.010 -0.000 0.961) 0.961 25.438 ( -0.183 0.500 -0.659) 0.847 25.438 ( 0.183 0.500 -0.659) 0.847 39.500 ( -1.636 0.212 -2.315) 2.842 39.500 ( 1.636 0.212 -2.315) 2.842 41.914 ( -0.005 -0.004 -1.034) 1.034 41.914 ( 0.005 -0.004 -1.034) 1.034 48.613 ( -0.474 1.113 -5.165) 5.305 48.613 ( 0.474 1.113 -5.165) 5.305 50.387 ( -3.820 -1.595 -13.829) 14.435 50.387 ( 3.820 -1.595 -13.829) 14.435======================= Grid point 90 (31/120) =======================q-point: ( 0.00 0.00 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( 0.000 0.000 20.364) 20.364 0.663 ( 0.000 0.000 18.968) 18.968 1.794 ( 0.000 0.000 44.087) 44.087 2.126 ( 0.000 0.000 31.465) 31.465 2.192 ( 0.000 0.000 28.398) 28.398 2.340 ( 0.000 0.000 3.274) 3.274 2.729 ( 0.000 0.000 22.919) 22.919 2.759 ( 0.000 0.000 23.551) 23.551 2.779 ( 0.000 0.000 1.292) 1.292 3.089 ( 0.000 0.000 20.508) 20.508 3.129 ( 0.000 0.000 16.286) 16.286 3.246 ( 0.000 0.000 10.932) 10.932 3.287 ( 0.000 0.000 2.899) 2.899 3.377 ( 0.000 0.000 3.398) 3.398 3.614 ( 0.000 0.000 17.371) 17.371 3.911 ( 0.000 0.000 16.184) 16.184 4.016 ( 0.000 0.000 -3.321) 3.321 4.203 ( 0.000 0.000 -5.323) 5.323 4.237 ( 0.000 0.000 -0.745) 0.745 4.268 ( 0.000 0.000 1.292) 1.292 4.278 ( 0.000 0.000 -0.636) 0.636 4.510 ( 0.000 0.000 5.297) 5.297 4.749 ( 0.000 0.000 -5.433) 5.433 4.798 ( 0.000 0.000 1.310) 1.310 4.854 ( 0.000 0.000 -7.404) 7.404 6.299 ( 0.000 0.000 0.138) 0.138 9.855 ( 0.000 0.000 -1.730) 1.730 10.123 ( 0.000 0.000 -3.471) 3.471 13.402 ( 0.000 0.000 -0.177) 0.177 13.465 ( 0.000 0.000 -1.621) 1.621 14.116 ( 0.000 0.000 5.557) 5.557 14.673 ( 0.000 0.000 0.062) 0.062 16.512 ( 0.000 0.000 -0.399) 0.399 16.632 ( 0.000 0.000 -1.405) 1.405 22.013 ( 0.000 0.000 -2.077) 2.077 22.195 ( 0.000 0.000 -3.879) 3.879 25.127 ( 0.000 0.000 1.704) 1.704 25.129 ( 0.000 0.000 1.628) 1.628 25.418 ( 0.000 0.000 -0.609) 0.609 25.458 ( 0.000 0.000 -0.768) 0.768 39.134 ( 0.000 0.000 -2.260) 2.260 39.563 ( 0.000 0.000 -5.997) 5.997 41.889 ( 0.000 0.000 -1.687) 1.687 41.908 ( 0.000 0.000 -1.446) 1.446 48.367 ( 0.000 0.000 -5.682) 5.682 48.585 ( 0.000 0.000 -8.297) 8.297 48.909 ( 0.000 0.000 -14.281) 14.281 49.060 ( 0.000 0.000 -12.521) 12.521======================= Grid point 91 (32/120) =======================q-point: ( 0.12 0.00 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( 24.914 0.000 12.111) 27.702 1.254 ( 39.883 0.000 10.399) 41.216 1.863 ( 8.376 0.000 42.201) 43.024 2.116 ( -0.366 0.000 30.838) 30.840 2.198 ( 0.595 0.000 26.265) 26.272 2.500 ( 11.208 0.000 5.533) 12.499 2.649 ( -8.327 0.000 4.346) 9.392 2.724 ( -0.311 0.000 21.057) 21.059 2.744 ( -1.711 0.000 23.847) 23.908 3.001 ( -5.452 0.000 18.170) 18.970 3.105 ( -0.710 0.000 17.112) 17.126 3.282 ( -0.738 0.000 7.213) 7.250 3.348 ( -0.702 0.000 9.749) 9.774 3.540 ( 18.004 0.000 -0.144) 18.004 3.642 ( 3.847 0.000 16.694) 17.131 3.919 ( -7.527 0.000 -3.182) 8.172 3.958 ( 4.477 0.000 16.697) 17.287 4.050 ( -7.420 0.000 -1.701) 7.612 4.153 ( -8.874 0.000 -0.509) 8.888 4.289 ( 0.556 0.000 0.861) 1.025 4.355 ( 4.451 0.000 -4.288) 6.181 4.540 ( -1.683 0.000 12.774) 12.884 4.631 ( -5.637 0.000 -5.114) 7.612 4.819 ( 1.243 0.000 2.639) 2.917 4.986 ( 6.908 0.000 -8.210) 10.730 6.210 ( -7.576 0.000 -5.220) 9.200 9.842 ( -1.049 0.000 -1.453) 1.792 10.101 ( -2.096 0.000 -3.281) 3.894 13.419 ( 1.526 0.000 -0.414) 1.581 13.470 ( 0.466 0.000 -1.583) 1.651 14.115 ( -0.006 0.000 5.523) 5.523 14.487 ( -13.140 0.000 7.198) 14.982 16.496 ( -1.175 0.000 -0.719) 1.378 16.589 ( -3.807 0.000 -0.962) 3.927 22.028 ( 1.414 0.000 -2.184) 2.602 22.211 ( 0.766 0.000 -5.012) 5.070 25.128 ( 0.059 0.000 1.692) 1.693 25.129 ( 0.010 0.000 1.631) 1.631 25.415 ( -0.151 0.000 -0.762) 0.777 25.446 ( -1.062 0.000 -0.634) 1.237 39.165 ( 2.918 0.000 -2.464) 3.819 39.607 ( 2.013 0.000 -8.179) 8.423 41.890 ( 0.037 0.000 -1.657) 1.658 41.898 ( -0.693 0.000 -1.489) 1.642 48.353 ( 0.095 0.000 -6.557) 6.558 48.548 ( -2.705 0.000 -8.114) 8.553 49.203 ( 12.566 0.000 -13.938) 18.767 49.413 ( 35.062 0.000 -32.587) 47.867======================= Grid point 92 (33/120) =======================q-point: ( 0.25 0.00 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 25.656 0.000 6.567) 26.483 1.772 ( 10.804 0.000 30.445) 32.305 2.114 ( 0.042 0.000 32.760) 32.760 2.201 ( 2.749 0.000 20.036) 20.223 2.337 ( 30.170 0.000 14.403) 33.431 2.514 ( -3.531 0.000 11.337) 11.874 2.608 ( -0.491 0.000 16.961) 16.968 2.696 ( -3.359 0.000 16.913) 17.243 2.711 ( 0.346 0.000 22.880) 22.883 2.886 ( -7.069 0.000 9.778) 12.066 3.109 ( 1.065 0.000 17.086) 17.119 3.309 ( -1.950 0.000 14.269) 14.402 3.346 ( 7.474 0.000 3.652) 8.319 3.716 ( -13.266 0.000 -2.838) 13.566 3.782 ( 8.249 0.000 16.657) 18.587 3.867 ( 8.053 0.000 -1.734) 8.237 3.938 ( -2.906 0.000 -2.320) 3.718 4.010 ( 0.671 0.000 -0.525) 0.852 4.085 ( 7.580 0.000 18.542) 20.032 4.278 ( -1.032 0.000 -1.746) 2.028 4.392 ( -1.461 0.000 -5.166) 5.369 4.443 ( -6.337 0.000 17.672) 18.774 4.602 ( 4.772 0.000 -5.474) 7.262 4.777 ( -5.763 0.000 13.428) 14.612 5.067 ( 0.506 0.000 -9.288) 9.302 6.023 ( -10.832 0.000 -12.816) 16.781 9.825 ( -0.273 0.000 -1.007) 1.043 10.042 ( -3.533 0.000 -2.756) 4.481 13.457 ( 1.998 0.000 -1.005) 2.236 13.482 ( 0.679 0.000 -1.515) 1.660 14.117 ( 0.163 0.000 5.494) 5.496 14.275 ( -7.169 0.000 8.869) 11.404 16.472 ( -1.170 0.000 -1.502) 1.904 16.503 ( -4.020 0.000 -0.299) 4.031 22.065 ( 2.152 0.000 -2.457) 3.266 22.210 ( -0.772 0.000 -4.843) 4.904 25.129 ( 0.026 0.000 1.698) 1.698 25.129 ( 0.011 0.000 1.640) 1.640 25.414 ( -0.044 0.000 -1.162) 1.163 25.422 ( -1.156 0.000 -0.409) 1.226 39.242 ( 4.332 0.000 -2.884) 5.204 39.599 ( -2.603 0.000 -7.120) 7.581 41.888 ( -0.258 0.000 -1.758) 1.777 41.890 ( 0.005 0.000 -1.598) 1.598 48.371 ( 1.369 0.000 -7.586) 7.708 48.498 ( -2.017 0.000 -8.120) 8.367 49.511 ( 16.437 0.000 -16.975) 23.629 49.964 ( 17.195 0.000 -36.664) 40.496======================= Grid point 93 (34/120) =======================q-point: ( 0.38 0.00 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 6.155 0.000 36.226) 36.745 1.953 ( 15.198 0.000 5.391) 16.126 2.113 ( 0.289 0.000 34.249) 34.250 2.221 ( 0.052 0.000 7.839) 7.839 2.441 ( -0.411 0.000 22.205) 22.209 2.561 ( -2.980 0.000 21.431) 21.637 2.599 ( -1.246 0.000 22.418) 22.452 2.618 ( -3.836 0.000 20.347) 20.705 2.786 ( 0.900 0.000 4.774) 4.858 3.068 ( 18.396 0.000 9.678) 20.786 3.170 ( 10.201 0.000 10.309) 14.503 3.245 ( -3.298 0.000 15.368) 15.718 3.376 ( -19.103 0.000 -0.979) 19.128 3.482 ( 2.673 0.000 0.323) 2.692 3.865 ( 0.979 0.000 -2.251) 2.455 3.885 ( 3.331 0.000 4.256) 5.405 3.997 ( 7.339 0.000 10.670) 12.950 4.097 ( -1.932 0.000 1.619) 2.521 4.227 ( 3.130 0.000 13.272) 13.636 4.290 ( -4.714 0.000 12.046) 12.936 4.298 ( -4.625 0.000 0.888) 4.709 4.386 ( 8.785 0.000 1.090) 8.853 4.623 ( -7.556 0.000 17.063) 18.661 4.808 ( 7.913 0.000 -5.630) 9.712 5.049 ( 3.785 0.000 -10.826) 11.468 5.754 ( -15.945 0.000 -13.971) 21.200 9.838 ( 1.631 0.000 -0.930) 1.878 9.964 ( -3.943 0.000 -2.032) 4.436 13.490 ( 1.128 0.000 -1.409) 1.805 13.496 ( 0.556 0.000 -1.493) 1.594 14.123 ( 0.518 0.000 5.630) 5.654 14.179 ( -2.897 0.000 7.233) 7.791 16.443 ( -1.723 0.000 -0.327) 1.753 16.448 ( -1.156 0.000 -1.603) 1.976 22.110 ( 2.170 0.000 -2.825) 3.562 22.186 ( -1.506 0.000 -3.987) 4.262 25.129 ( 0.009 0.000 1.689) 1.689 25.129 ( 0.003 0.000 1.652) 1.652 25.405 ( -0.455 0.000 -0.403) 0.608 25.410 ( -0.323 0.000 -1.113) 1.159 39.334 ( 4.617 0.000 -3.327) 5.691 39.523 ( -4.463 0.000 -5.162) 6.824 41.886 ( 0.019 0.000 -1.785) 1.785 41.890 ( -0.078 0.000 -1.582) 1.584 48.402 ( 1.609 0.000 -8.201) 8.358 48.464 ( -1.492 0.000 -8.353) 8.486 49.831 ( 14.276 0.000 -20.527) 25.003 50.141 ( 1.476 0.000 -30.292) 30.328======================= Grid point 94 (35/120) =======================q-point: (-0.50 0.00 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 2.027 ( -3.131 0.000 32.684) 32.833 2.027 ( 3.131 0.000 32.684) 32.833 2.189 ( -3.663 0.000 7.211) 8.088 2.189 ( 3.663 0.000 7.211) 8.088 2.482 ( -3.977 0.000 25.835) 26.139 2.482 ( 3.977 0.000 25.835) 26.139 2.578 ( -0.039 0.000 21.629) 21.629 2.578 ( 0.039 0.000 21.629) 21.629 2.987 ( -16.961 0.000 0.832) 16.981 2.987 ( 16.961 0.000 0.832) 16.981 3.181 ( -2.993 0.000 16.058) 16.334 3.181 ( 2.993 0.000 16.058) 16.334 3.446 ( -6.695 0.000 0.064) 6.695 3.446 ( 6.695 0.000 0.064) 6.695 3.961 ( -0.080 0.000 -1.355) 1.358 3.961 ( 0.080 0.000 -1.355) 1.358 4.060 ( -6.845 0.000 -1.514) 7.010 4.060 ( 6.845 0.000 -1.514) 7.010 4.155 ( -7.267 0.000 16.060) 17.628 4.155 ( 7.267 0.000 16.060) 17.628 4.400 ( -7.214 0.000 16.851) 18.330 4.400 ( 7.214 0.000 16.851) 18.330 4.695 ( -11.642 0.000 -3.902) 12.279 4.695 ( 11.642 0.000 -3.902) 12.279 5.377 ( -20.436 0.000 -12.132) 23.766 5.377 ( 20.436 0.000 -12.132) 23.766 9.889 ( -3.257 0.000 -1.335) 3.520 9.889 ( 3.257 0.000 -1.335) 3.520 13.502 ( -0.037 0.000 -1.508) 1.509 13.502 ( 0.037 0.000 -1.508) 1.509 14.140 ( -1.190 0.000 6.123) 6.237 14.140 ( 1.190 0.000 6.123) 6.237 16.431 ( -0.351 0.000 -0.999) 1.059 16.431 ( 0.351 0.000 -0.999) 1.059 22.152 ( -1.868 0.000 -3.303) 3.794 22.152 ( 1.868 0.000 -3.303) 3.794 25.129 ( -0.004 0.000 1.670) 1.670 25.129 ( 0.004 0.000 1.670) 1.670 25.403 ( -0.225 0.000 -0.717) 0.751 25.403 ( 0.225 0.000 -0.717) 0.751 39.428 ( -4.676 0.000 -3.959) 6.126 39.428 ( 4.676 0.000 -3.959) 6.126 41.888 ( -0.111 0.000 -1.663) 1.666 41.888 ( 0.111 0.000 -1.663) 1.666 48.434 ( -1.487 0.000 -8.453) 8.583 48.434 ( 1.487 0.000 -8.453) 8.583 50.065 ( -8.189 0.000 -24.696) 26.019 50.065 ( 8.189 0.000 -24.696) 26.019======================= Grid point 99 (36/120) =======================q-point: ( 0.00 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 0.000 17.269 15.705) 23.342 1.061 ( 0.000 31.877 10.812) 33.661 1.846 ( 0.000 5.925 38.151) 38.609 2.010 ( 0.000 -7.868 32.027) 32.979 2.148 ( 0.000 -16.259 7.230) 17.794 2.297 ( 0.000 6.773 26.026) 26.893 2.733 ( 0.000 0.413 23.427) 23.431 2.756 ( 0.000 -0.343 23.741) 23.743 2.772 ( 0.000 -5.204 12.755) 13.776 3.077 ( 0.000 6.288 7.159) 9.528 3.173 ( 0.000 -10.805 2.860) 11.177 3.271 ( 0.000 0.340 11.095) 11.100 3.281 ( 0.000 9.928 18.542) 21.032 3.419 ( 0.000 3.046 3.892) 4.942 3.601 ( 0.000 -1.420 16.969) 17.028 3.846 ( 0.000 -5.218 13.748) 14.705 3.983 ( 0.000 -2.345 -3.295) 4.044 4.106 ( 0.000 -4.899 -1.137) 5.029 4.113 ( 0.000 -16.893 2.262) 17.044 4.185 ( 0.000 -4.962 -1.830) 5.289 4.464 ( 0.000 1.806 13.517) 13.637 4.466 ( 0.000 11.313 -2.215) 11.527 4.693 ( 0.000 0.998 -6.139) 6.220 4.735 ( 0.000 -1.329 -3.762) 3.990 5.250 ( 0.000 23.562 -4.759) 24.038 6.195 ( 0.000 -10.354 -1.098) 10.412 9.881 ( 0.000 2.790 -1.839) 3.341 10.099 ( 0.000 -2.571 -3.272) 4.161 13.399 ( 0.000 -0.152 -0.223) 0.270 13.455 ( 0.000 -1.099 -1.564) 1.911 14.131 ( 0.000 1.757 5.981) 6.234 14.515 ( 0.000 -13.344 6.225) 14.724 16.514 ( 0.000 0.538 -0.512) 0.743 16.617 ( 0.000 -1.571 -1.413) 2.113 22.075 ( 0.000 5.071 -4.791) 6.976 22.193 ( 0.000 -0.251 -4.141) 4.149 25.128 ( 0.000 0.073 1.708) 1.710 25.130 ( 0.000 0.090 1.626) 1.628 25.422 ( 0.000 0.405 -0.630) 0.749 25.455 ( 0.000 -0.386 -0.768) 0.859 39.264 ( 0.000 10.848 -7.250) 13.047 39.555 ( 0.000 -1.002 -6.392) 6.470 41.889 ( 0.000 -0.054 -1.720) 1.721 41.901 ( 0.000 -0.644 -1.436) 1.574 48.398 ( 0.000 3.833 -6.341) 7.409 48.771 ( 0.000 15.680 -15.880) 22.316 48.814 ( 0.000 -8.096 -12.044) 14.512 49.106 ( 0.000 2.704 -14.940) 15.182======================= Grid point 100 (37/120) =======================q-point: ( 0.12 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 19.712 10.132 11.173) 24.820 1.447 ( 25.727 14.404 13.286) 32.340 1.953 ( 10.543 8.298 34.554) 37.067 2.046 ( 5.943 -1.673 31.116) 31.722 2.182 ( 0.620 -10.355 10.362) 14.663 2.362 ( 6.180 -1.894 20.810) 21.790 2.692 ( -4.727 -2.890 18.449) 19.263 2.726 ( -1.165 0.060 23.001) 23.031 2.754 ( -1.401 1.948 16.603) 16.775 2.988 ( -2.275 1.706 11.420) 11.769 3.176 ( -3.411 5.073 13.248) 14.590 3.252 ( -1.592 -3.809 6.093) 7.360 3.375 ( 1.121 2.310 13.662) 13.901 3.496 ( 11.117 -5.781 2.105) 12.706 3.644 ( 5.062 -0.733 15.397) 16.224 3.877 ( 2.382 -5.771 11.972) 13.503 3.909 ( -3.890 -0.068 -2.372) 4.556 4.021 ( -5.960 -3.388 1.151) 6.951 4.096 ( -6.140 -2.822 0.137) 6.759 4.156 ( 0.917 -13.613 -0.151) 13.645 4.453 ( -0.040 4.006 11.722) 12.388 4.527 ( 2.674 8.447 0.383) 8.869 4.702 ( -1.317 2.306 -4.506) 5.230 4.774 ( 3.314 -0.982 0.675) 3.522 5.241 ( -1.052 19.308 -6.500) 20.399 6.110 ( -7.409 -10.107 -5.300) 13.607 9.868 ( -1.042 2.803 -1.580) 3.382 10.080 ( -1.845 -2.336 -3.113) 4.307 13.416 ( 1.564 -0.088 -0.530) 1.653 13.464 ( 0.766 -0.756 -1.641) 1.962 14.129 ( -0.186 1.524 5.896) 6.093 14.402 ( -8.570 -7.726 8.500) 14.331 16.488 ( -1.891 -0.253 -0.351) 1.940 16.576 ( -3.593 -1.454 -1.022) 4.009 22.068 ( -0.063 3.647 -3.390) 4.980 22.204 ( 0.355 -0.842 -4.973) 5.056 25.128 ( 0.022 0.037 1.694) 1.695 25.130 ( -0.012 0.061 1.649) 1.650 25.420 ( -0.063 0.554 -0.819) 0.991 25.448 ( -0.713 0.038 -0.829) 1.094 39.259 ( 0.502 8.557 -4.908) 9.877 39.588 ( 1.390 -2.133 -7.980) 8.376 41.889 ( 0.027 -0.069 -1.696) 1.698 41.894 ( -0.453 -0.328 -1.558) 1.655 48.388 ( -0.209 3.612 -6.996) 7.876 48.577 ( -5.350 1.650 -8.978) 10.581 49.215 ( 14.719 1.697 -15.833) 21.684 49.395 ( 29.418 -1.960 -29.249) 41.530======================= Grid point 101 (38/120) =======================q-point: ( 0.25 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 22.753 1.252 7.114) 23.873 1.787 ( 9.716 1.230 30.431) 31.968 2.061 ( 3.089 -4.466 32.886) 33.332 2.170 ( -0.508 -5.376 12.501) 13.617 2.438 ( 1.967 -4.184 20.698) 21.208 2.510 ( 25.850 15.763 13.251) 33.050 2.603 ( -3.462 -3.831 19.806) 20.468 2.692 ( -1.142 1.990 21.369) 21.492 2.713 ( -2.303 1.268 15.250) 15.475 2.922 ( -4.142 3.023 7.985) 9.489 3.140 ( 0.114 2.947 14.712) 15.004 3.241 ( -0.739 -6.885 6.172) 9.276 3.344 ( -1.658 1.250 13.601) 13.758 3.711 ( -0.858 -5.889 -0.450) 5.968 3.764 ( 8.836 -0.925 13.552) 16.204 3.856 ( -1.925 -2.181 1.076) 3.102 3.904 ( 5.917 0.826 0.276) 5.981 3.996 ( -0.633 -1.234 -2.330) 2.712 4.020 ( 5.445 -5.189 13.367) 15.338 4.148 ( -1.153 -10.749 1.001) 10.857 4.449 ( -1.056 3.743 15.659) 16.134 4.542 ( -1.407 9.274 0.862) 9.419 4.682 ( 0.985 4.932 -3.113) 5.915 4.782 ( -2.053 2.868 6.604) 7.487 5.187 ( -4.831 10.880 -8.563) 14.665 5.925 ( -10.707 -10.214 -11.885) 18.979 9.851 ( -0.396 2.684 -1.174) 2.956 10.029 ( -3.041 -1.559 -2.667) 4.335 13.454 ( 1.914 -0.150 -1.122) 2.224 13.481 ( 0.834 -0.288 -1.644) 1.866 14.126 ( -0.085 0.987 5.745) 5.829 14.250 ( -5.596 -2.450 8.499) 10.467 16.452 ( -1.609 -1.335 -0.657) 2.192 16.497 ( -3.526 -0.994 -0.588) 3.710 22.082 ( 1.261 1.669 -2.735) 3.443 22.198 ( -0.852 -1.367 -4.598) 4.872 25.128 ( 0.023 0.001 1.679) 1.679 25.129 ( -0.013 0.021 1.671) 1.671 25.419 ( -0.111 0.578 -1.111) 1.258 25.429 ( -0.940 0.601 -0.767) 1.354 39.294 ( 2.693 5.200 -3.687) 6.920 39.576 ( -2.367 -2.498 -6.835) 7.652 41.887 ( -0.182 -0.057 -1.778) 1.788 41.890 ( 0.004 -0.083 -1.643) 1.645 48.397 ( 1.010 2.710 -7.881) 8.395 48.506 ( -2.209 0.524 -8.414) 8.714 49.534 ( 16.239 2.635 -17.916) 24.323 49.895 ( 17.043 -6.909 -33.264) 38.009======================= Grid point 102 (39/120) =======================q-point: ( 0.38 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 13.896 -2.710 12.866) 19.130 1.949 ( 7.410 1.311 30.061) 30.989 2.112 ( 2.078 -0.336 33.035) 33.102 2.186 ( 2.006 -3.728 8.247) 9.270 2.442 ( -0.605 -0.521 22.288) 22.302 2.509 ( -4.013 -4.066 22.430) 23.146 2.612 ( -2.215 0.586 17.764) 17.911 2.652 ( -2.254 2.085 20.665) 20.892 2.723 ( -1.903 -2.829 8.285) 8.959 3.083 ( -5.935 -13.605 3.068) 15.157 3.164 ( 1.424 3.336 16.104) 16.508 3.225 ( 12.713 6.328 5.473) 15.219 3.306 ( 0.658 2.964 11.272) 11.673 3.624 ( -4.403 6.142 -0.717) 7.591 3.833 ( 0.587 -2.843 -0.220) 2.911 3.910 ( 4.113 0.404 0.649) 4.183 3.972 ( 4.800 -3.594 11.951) 13.371 4.055 ( 1.447 0.562 0.170) 1.561 4.138 ( 2.434 -7.072 16.532) 18.145 4.272 ( 10.154 -0.665 0.063) 10.176 4.400 ( -2.215 4.788 17.133) 17.927 4.503 ( 1.072 9.025 -2.895) 9.539 4.615 ( -7.544 2.467 12.726) 14.998 4.887 ( 8.989 6.763 -5.650) 12.588 5.050 ( -4.810 0.676 -9.863) 10.994 5.664 ( -15.244 -9.578 -13.173) 22.308 9.859 ( 1.248 2.102 -1.098) 2.679 9.962 ( -3.326 -0.347 -2.037) 3.916 13.486 ( 1.084 -0.329 -1.448) 1.839 13.495 ( 0.501 -0.198 -1.596) 1.684 14.127 ( 0.298 0.445 5.743) 5.768 14.172 ( -2.434 -0.687 7.032) 7.473 16.425 ( -0.893 -1.192 -0.550) 1.588 16.445 ( -1.699 -0.775 -0.966) 2.102 22.113 ( 1.663 0.338 -2.840) 3.308 22.175 ( -1.308 -1.161 -3.792) 4.176 25.129 ( 0.019 -0.005 1.673) 1.673 25.129 ( -0.008 0.004 1.671) 1.671 25.412 ( -0.401 0.682 -0.644) 1.020 25.417 ( -0.384 0.621 -1.127) 1.343 39.358 ( 3.450 2.487 -3.581) 5.560 39.510 ( -3.783 -1.414 -5.032) 6.452 41.886 ( 0.022 0.003 -1.781) 1.781 41.889 ( -0.061 -0.067 -1.616) 1.618 48.422 ( 1.309 1.975 -8.467) 8.792 48.473 ( -1.292 0.793 -8.591) 8.723 49.840 ( 13.176 1.197 -20.881) 24.719 50.090 ( 2.947 -5.156 -28.694) 29.302======================= Grid point 103 (40/120) =======================q-point: (-0.50 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -1.910 0.423 32.290) 32.349 2.031 ( 1.910 0.423 32.290) 32.349 2.187 ( -3.323 -0.305 8.091) 8.752 2.187 ( 3.323 -0.305 8.091) 8.752 2.444 ( -2.016 -2.919 25.075) 25.325 2.444 ( 2.016 -2.919 25.075) 25.325 2.607 ( -1.381 2.159 20.485) 20.645 2.607 ( 1.381 2.159 20.485) 20.645 2.836 ( -12.134 -12.247 3.196) 17.534 2.836 ( 12.134 -12.247 3.196) 17.534 3.214 ( -2.925 2.330 16.376) 16.798 3.214 ( 2.925 2.330 16.376) 16.798 3.516 ( -7.417 5.545 -0.323) 9.266 3.516 ( 7.417 5.545 -0.323) 9.266 3.880 ( -3.904 -5.101 -2.193) 6.788 3.880 ( 3.904 -5.101 -2.193) 6.788 4.108 ( -4.709 -3.058 15.719) 16.692 4.108 ( 4.709 -3.058 15.719) 16.692 4.208 ( -10.008 9.795 1.680) 14.104 4.208 ( 10.008 9.795 1.680) 14.104 4.442 ( -6.525 4.533 14.375) 16.424 4.442 ( 6.525 4.533 14.375) 16.424 4.732 ( -14.034 3.514 -4.904) 15.276 4.732 ( 14.034 3.514 -4.904) 15.276 5.309 ( -18.867 -7.054 -11.342) 23.117 5.309 ( 18.867 -7.054 -11.342) 23.117 9.900 ( -2.673 0.995 -1.436) 3.193 9.900 ( 2.673 0.995 -1.436) 3.193 13.498 ( -0.209 -0.326 -1.550) 1.598 13.498 ( 0.209 -0.326 -1.550) 1.598 14.139 ( -0.962 -0.026 6.099) 6.175 14.139 ( 0.962 -0.026 6.099) 6.175 16.422 ( -0.583 -0.828 -0.838) 1.314 16.422 ( 0.583 -0.828 -0.838) 1.314 22.146 ( -1.531 -0.546 -3.202) 3.591 22.146 ( 1.531 -0.546 -3.202) 3.591 25.129 ( -0.011 -0.001 1.670) 1.670 25.129 ( 0.011 -0.001 1.670) 1.670 25.410 ( -0.182 0.644 -0.831) 1.067 25.410 ( 0.182 0.644 -0.831) 1.067 39.432 ( -3.768 0.320 -3.978) 5.489 39.432 ( 3.768 0.320 -3.978) 5.489 41.887 ( -0.091 -0.023 -1.673) 1.676 41.887 ( 0.091 -0.023 -1.673) 1.676 48.448 ( -1.213 1.347 -8.699) 8.886 48.448 ( 1.213 1.347 -8.699) 8.886 50.046 ( -6.614 -1.784 -24.264) 25.213 50.046 ( 6.614 -1.784 -24.264) 25.213======================= Grid point 108 (41/120) =======================q-point: ( 0.00 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 0.000 21.356 10.974) 24.011 1.464 ( 0.000 2.779 16.149) 16.386 1.809 ( 0.000 -6.976 8.609) 11.080 1.869 ( 0.000 -7.380 29.720) 30.623 2.171 ( 0.000 22.971 24.026) 33.240 2.404 ( 0.000 3.285 20.147) 20.413 2.648 ( 0.000 -5.511 20.518) 21.245 2.741 ( 0.000 -2.993 22.995) 23.189 2.743 ( 0.000 0.668 23.904) 23.913 2.832 ( 0.000 -22.081 10.480) 24.442 3.214 ( 0.000 6.223 2.896) 6.864 3.275 ( 0.000 -0.785 7.105) 7.148 3.446 ( 0.000 5.832 15.479) 16.541 3.462 ( 0.000 1.528 7.784) 7.932 3.594 ( 0.000 3.248 16.551) 16.867 3.746 ( 0.000 -9.092 18.471) 20.587 3.891 ( 0.000 -2.163 -0.186) 2.171 3.938 ( 0.000 -3.440 -1.465) 3.739 4.045 ( 0.000 -0.642 -1.044) 1.226 4.090 ( 0.000 -4.694 -2.005) 5.104 4.537 ( 0.000 4.460 12.853) 13.604 4.585 ( 0.000 0.774 7.161) 7.203 4.722 ( 0.000 0.470 -5.160) 5.181 4.723 ( 0.000 1.100 -6.023) 6.122 5.644 ( 0.000 19.399 -5.848) 20.261 5.958 ( 0.000 -15.187 -4.392) 15.809 9.950 ( 0.000 4.495 -2.177) 4.995 10.034 ( 0.000 -4.400 -2.724) 5.175 13.405 ( 0.000 0.902 -0.726) 1.158 13.429 ( 0.000 -1.547 -1.302) 2.021 14.185 ( 0.000 4.354 7.237) 8.446 14.302 ( 0.000 -8.969 8.670) 12.475 16.538 ( 0.000 1.981 -1.037) 2.236 16.579 ( 0.000 -2.378 -1.350) 2.735 22.150 ( 0.000 2.855 -5.720) 6.393 22.183 ( 0.000 -0.990 -4.884) 4.984 25.129 ( 0.000 0.095 1.709) 1.712 25.130 ( 0.000 -0.028 1.677) 1.677 25.432 ( 0.000 0.686 -0.700) 0.980 25.445 ( 0.000 -0.659 -0.753) 1.001 39.434 ( 0.000 6.982 -9.042) 11.424 39.521 ( 0.000 -2.977 -7.588) 8.151 41.888 ( 0.000 0.025 -1.749) 1.749 41.891 ( 0.000 -0.332 -1.631) 1.664 48.503 ( 0.000 7.350 -7.838) 10.745 48.654 ( 0.000 -8.938 -9.749) 13.226 49.016 ( 0.000 9.654 -19.795) 22.024 49.118 ( 0.000 -1.963 -17.816) 17.924======================= Grid point 109 (42/120) =======================q-point: ( 0.12 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 11.013 17.912 9.183) 22.944 1.578 ( 9.029 -3.681 17.423) 19.966 1.901 ( 3.425 -5.743 27.289) 28.097 1.925 ( 6.684 -8.782 18.295) 21.366 2.358 ( 17.960 21.683 15.720) 32.247 2.425 ( 1.492 5.075 22.683) 23.292 2.611 ( -2.118 -1.414 21.620) 21.770 2.733 ( -0.280 -0.809 23.131) 23.146 2.764 ( 0.980 0.541 21.768) 21.797 2.944 ( 10.837 -16.946 7.079) 21.324 3.142 ( -5.933 2.509 2.566) 6.934 3.240 ( -1.922 -4.194 7.320) 8.652 3.365 ( -5.692 2.143 11.764) 13.243 3.426 ( -3.728 -1.880 12.487) 13.167 3.663 ( 5.999 4.490 16.412) 18.042 3.781 ( 3.476 -6.402 15.934) 17.520 3.921 ( -1.747 -1.186 0.702) 2.225 3.945 ( 3.446 -2.959 -0.062) 4.543 4.000 ( -3.909 0.220 -1.143) 4.078 4.053 ( -3.090 -2.925 -1.447) 4.494 4.542 ( 0.349 4.920 13.338) 14.221 4.607 ( 1.016 -1.110 8.505) 8.637 4.744 ( 2.226 3.224 -5.760) 6.966 4.778 ( 4.220 -0.131 -4.979) 6.528 5.583 ( -5.795 17.591 -6.962) 19.786 5.878 ( -7.337 -14.735 -6.365) 17.648 9.937 ( -1.100 4.443 -1.970) 4.982 10.019 ( -1.378 -4.205 -2.572) 5.118 13.422 ( 1.536 0.852 -1.037) 2.039 13.444 ( 1.250 -1.301 -1.520) 2.359 14.174 ( -0.936 3.569 6.995) 7.908 14.264 ( -3.179 -6.455 8.432) 11.085 16.501 ( -2.972 1.602 -0.479) 3.410 16.539 ( -3.411 -2.354 -0.852) 4.231 22.134 ( -1.090 3.137 -4.451) 5.553 22.179 ( -0.557 -1.891 -4.810) 5.198 25.129 ( -0.018 0.074 1.701) 1.703 25.130 ( -0.036 -0.030 1.685) 1.686 25.433 ( 0.028 0.749 -0.926) 1.192 25.444 ( -0.167 -0.449 -0.974) 1.086 39.415 ( -1.050 7.666 -7.033) 10.457 39.527 ( -0.053 -4.643 -7.605) 8.910 41.888 ( -0.016 -0.026 -1.754) 1.755 41.889 ( -0.146 -0.171 -1.709) 1.723 48.474 ( -1.665 5.428 -8.013) 9.820 48.562 ( -4.644 -3.405 -8.996) 10.681 49.270 ( 16.420 4.009 -19.386) 25.720 49.343 ( 20.552 -3.613 -23.616) 31.514======================= Grid point 110 (43/120) =======================q-point: ( 0.25 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 15.175 9.132 8.538) 19.661 1.771 ( 9.626 -5.609 19.825) 22.741 1.982 ( 4.718 -2.178 28.902) 29.366 2.030 ( 4.219 -6.633 20.886) 22.316 2.428 ( -0.634 2.576 25.549) 25.686 2.506 ( -2.949 -5.440 23.455) 24.258 2.692 ( 0.111 3.001 21.652) 21.860 2.715 ( -2.056 0.003 21.801) 21.897 2.880 ( 2.954 12.482 4.217) 13.502 3.019 ( -1.477 3.463 2.668) 4.614 3.085 ( 7.560 2.529 4.412) 9.111 3.263 ( -2.789 5.371 15.106) 16.273 3.336 ( -0.071 -3.593 14.722) 15.154 3.442 ( 15.936 -18.915 2.628) 24.872 3.796 ( 4.959 3.443 13.789) 15.053 3.838 ( 1.728 0.286 3.168) 3.619 3.893 ( -2.585 -3.090 4.746) 6.225 3.932 ( 3.005 -5.405 8.529) 10.535 3.989 ( 1.378 1.356 -0.959) 2.158 4.021 ( 1.155 -2.236 -0.667) 2.604 4.531 ( -1.950 4.268 16.103) 16.772 4.590 ( -2.615 -1.925 13.203) 13.597 4.808 ( 3.456 6.493 -6.585) 9.873 4.849 ( 2.422 1.963 -4.733) 5.667 5.415 ( -10.585 13.909 -8.754) 19.548 5.685 ( -11.198 -14.978 -10.072) 21.240 9.914 ( -0.896 3.982 -1.646) 4.401 9.984 ( -1.906 -3.329 -2.256) 4.450 13.457 ( 1.636 0.526 -1.469) 2.260 13.470 ( 1.195 -0.777 -1.712) 2.228 14.153 ( -0.967 2.039 6.475) 6.858 14.199 ( -2.838 -2.872 7.537) 8.550 16.444 ( -2.278 0.562 -0.187) 2.354 16.468 ( -3.017 -1.839 -0.359) 3.552 22.120 ( -0.146 2.391 -3.334) 4.105 22.164 ( -0.819 -2.246 -4.010) 4.668 25.129 ( -0.003 0.038 1.684) 1.685 25.129 ( -0.023 -0.027 1.684) 1.685 25.431 ( -0.220 0.592 -1.167) 1.327 25.437 ( -0.534 0.077 -1.122) 1.245 39.405 ( 0.041 6.332 -5.055) 8.102 39.509 ( -1.597 -4.816 -6.109) 7.941 41.887 ( -0.064 0.011 -1.791) 1.792 41.888 ( -0.008 -0.092 -1.735) 1.738 48.456 ( -0.140 3.295 -8.468) 9.087 48.501 ( -1.648 -1.355 -8.727) 8.984 49.611 ( 16.017 5.955 -21.000) 27.074 49.746 ( 16.430 -8.480 -26.538) 32.344======================= Grid point 111 (44/120) =======================q-point: ( 0.38 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 12.312 2.286 14.874) 19.443 1.958 ( 8.047 -1.900 26.807) 28.053 2.090 ( 5.597 -0.863 23.412) 24.087 2.118 ( 4.415 -2.891 15.970) 16.819 2.418 ( -0.072 -0.791 25.454) 25.466 2.442 ( -2.530 -3.094 23.553) 23.889 2.631 ( -4.761 2.587 13.188) 14.258 2.667 ( -1.925 -0.281 20.725) 20.816 2.738 ( -7.777 2.923 11.307) 14.031 2.848 ( -11.224 -9.980 3.798) 15.492 3.231 ( 0.355 3.826 16.125) 16.577 3.279 ( -1.343 -0.766 16.020) 16.095 3.465 ( 11.501 11.510 1.416) 16.332 3.643 ( 1.023 -5.907 -0.521) 6.018 3.794 ( -1.124 0.795 -0.922) 1.657 3.846 ( -1.496 -3.936 -1.091) 4.349 3.968 ( 6.491 1.358 15.309) 16.683 4.022 ( 3.568 -4.733 16.133) 17.187 4.122 ( 12.752 5.214 -0.747) 13.797 4.219 ( 16.917 -4.715 -0.988) 17.590 4.477 ( -1.996 3.498 17.166) 17.632 4.528 ( -1.503 -2.076 14.716) 14.938 4.801 ( -4.018 11.325 -5.413) 13.180 4.937 ( 5.366 -3.124 -7.765) 9.942 5.159 ( -13.684 12.442 -8.490) 20.351 5.429 ( -13.792 -15.244 -11.069) 23.348 9.905 ( 0.057 2.666 -1.502) 3.061 9.946 ( -1.729 -1.591 -1.889) 3.015 13.483 ( 0.856 0.101 -1.597) 1.814 13.489 ( 0.553 -0.426 -1.681) 1.820 14.139 ( -0.363 0.823 6.074) 6.140 14.156 ( -1.387 -0.972 6.561) 6.777 16.412 ( -0.828 0.002 -0.349) 0.899 16.425 ( -1.369 -1.183 -0.529) 1.885 22.125 ( 0.495 1.015 -2.992) 3.198 22.149 ( -0.638 -1.511 -3.362) 3.741 25.129 ( 0.011 0.014 1.674) 1.674 25.129 ( -0.005 -0.014 1.675) 1.675 25.424 ( -0.358 0.497 -1.009) 1.180 25.426 ( -0.410 0.287 -1.151) 1.255 39.414 ( 0.810 3.371 -4.131) 5.393 39.472 ( -1.886 -2.723 -4.666) 5.722 41.886 ( 0.013 0.043 -1.754) 1.755 41.887 ( -0.022 -0.082 -1.690) 1.693 48.461 ( 0.467 1.920 -8.924) 9.140 48.481 ( -0.584 -0.165 -8.971) 8.992 49.884 ( 10.245 3.792 -22.321) 24.851 49.978 ( 6.412 -6.264 -25.256) 26.799======================= Grid point 112 (45/120) =======================q-point: (-0.50 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( -1.306 0.577 33.486) 33.516 2.041 ( 1.306 0.577 33.486) 33.516 2.173 ( -0.788 -1.046 7.930) 8.037 2.173 ( 0.788 -1.046 7.930) 8.037 2.419 ( -1.441 0.598 23.041) 23.094 2.419 ( 1.441 0.598 23.041) 23.094 2.611 ( -5.431 -4.092 8.491) 10.878 2.611 ( 5.432 -4.092 8.491) 10.878 2.667 ( -2.968 -2.251 16.809) 17.217 2.667 ( 2.968 -2.251 16.809) 17.217 3.249 ( -1.302 1.195 16.976) 17.067 3.249 ( 1.302 1.195 16.976) 17.067 3.600 ( -3.903 3.041 -0.357) 4.961 3.600 ( 3.903 3.041 -0.357) 4.961 3.802 ( -1.905 -2.947 -2.318) 4.206 3.802 ( 1.905 -2.947 -2.318) 4.206 4.056 ( -1.399 -1.766 16.000) 16.158 4.056 ( 1.399 -1.766 16.000) 16.158 4.335 ( -3.583 3.084 10.386) 11.411 4.335 ( 3.583 3.084 10.386) 11.411 4.558 ( -8.049 6.084 6.696) 12.109 4.558 ( 8.049 6.084 6.696) 12.109 4.801 ( -13.110 3.396 -9.601) 16.600 4.801 ( 13.110 3.396 -9.601) 16.600 5.157 ( -11.311 -7.386 -8.676) 16.055 5.157 ( 11.311 -7.386 -8.676) 16.055 9.917 ( -1.045 0.617 -1.595) 2.005 9.917 ( 1.045 0.617 -1.595) 2.005 13.493 ( -0.131 -0.205 -1.618) 1.636 13.493 ( 0.131 -0.205 -1.618) 1.636 14.139 ( -0.367 -0.017 6.062) 6.073 14.139 ( 0.367 -0.017 6.062) 6.073 16.408 ( -0.333 -0.507 -0.581) 0.840 16.408 ( 0.333 -0.507 -0.581) 0.840 22.137 ( -0.596 -0.333 -3.044) 3.119 22.137 ( 0.596 -0.333 -3.044) 3.119 25.129 ( -0.007 -0.000 1.671) 1.671 25.129 ( 0.007 -0.000 1.671) 1.671 25.421 ( -0.073 0.393 -1.011) 1.087 25.421 ( 0.073 0.393 -1.011) 1.087 39.437 ( -1.430 0.197 -4.009) 4.261 39.437 ( 1.430 0.197 -4.009) 4.261 41.887 ( -0.035 -0.014 -1.690) 1.691 41.887 ( 0.035 -0.014 -1.690) 1.691 48.471 ( -0.470 0.860 -9.114) 9.166 48.471 ( 0.470 0.860 -9.114) 9.166 50.016 ( -2.521 -1.128 -23.552) 23.714 50.016 ( 2.521 -1.128 -23.552) 23.714======================= Grid point 135 (46/120) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 0.000 0.000 20.155) 20.155 1.062 ( 0.000 0.000 21.364) 21.364 2.421 ( 0.000 0.000 5.130) 5.130 2.582 ( 0.000 0.000 31.423) 31.423 2.668 ( 0.000 0.000 18.013) 18.013 2.707 ( 0.000 0.000 26.421) 26.421 2.836 ( 0.000 0.000 10.206) 10.206 3.200 ( 0.000 0.000 24.410) 24.410 3.210 ( 0.000 0.000 21.293) 21.293 3.382 ( 0.000 0.000 4.839) 4.839 3.438 ( 0.000 0.000 14.804) 14.804 3.455 ( 0.000 0.000 15.682) 15.682 3.498 ( 0.000 0.000 20.470) 20.470 3.531 ( 0.000 0.000 10.142) 10.142 3.939 ( 0.000 0.000 -4.482) 4.482 3.951 ( 0.000 0.000 13.854) 13.854 4.096 ( 0.000 0.000 -3.057) 3.057 4.150 ( 0.000 0.000 6.511) 6.511 4.223 ( 0.000 0.000 -3.572) 3.572 4.285 ( 0.000 0.000 5.754) 5.754 4.288 ( 0.000 0.000 2.355) 2.355 4.470 ( 0.000 0.000 -8.250) 8.250 4.635 ( 0.000 0.000 -5.696) 5.696 4.749 ( 0.000 0.000 -0.877) 0.877 5.013 ( 0.000 0.000 17.179) 17.179 6.290 ( 0.000 0.000 -1.193) 1.193 9.816 ( 0.000 0.000 -2.159) 2.159 10.046 ( 0.000 0.000 -4.382) 4.382 13.399 ( 0.000 0.000 -0.203) 0.203 13.434 ( 0.000 0.000 -1.554) 1.554 14.228 ( 0.000 0.000 5.802) 5.802 14.675 ( 0.000 0.000 0.141) 0.141 16.503 ( 0.000 0.000 -0.526) 0.526 16.603 ( 0.000 0.000 -1.542) 1.542 21.967 ( 0.000 0.000 -2.542) 2.542 22.113 ( 0.000 0.000 -4.397) 4.397 25.164 ( 0.000 0.000 2.003) 2.003 25.164 ( 0.000 0.000 1.998) 1.998 25.405 ( 0.000 0.000 -0.774) 0.774 25.441 ( 0.000 0.000 -0.957) 0.957 39.084 ( 0.000 0.000 -2.765) 2.765 39.436 ( 0.000 0.000 -6.853) 6.853 41.854 ( 0.000 0.000 -1.891) 1.891 41.876 ( 0.000 0.000 -1.807) 1.807 48.240 ( 0.000 0.000 -7.191) 7.191 48.400 ( 0.000 0.000 -10.414) 10.414 48.601 ( 0.000 0.000 -16.910) 16.910 48.789 ( 0.000 0.000 -14.943) 14.943======================= Grid point 136 (47/120) =======================q-point: ( 0.12 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( 18.074 0.000 15.920) 24.085 1.487 ( 33.019 0.000 13.611) 35.715 2.511 ( -6.365 0.000 8.281) 10.445 2.528 ( 8.213 0.000 6.821) 10.676 2.673 ( 3.483 0.000 36.322) 36.489 2.735 ( 2.771 0.000 22.525) 22.695 2.885 ( 2.804 0.000 19.356) 19.558 3.189 ( -1.206 0.000 24.466) 24.495 3.214 ( -0.642 0.000 23.051) 23.060 3.292 ( -6.896 0.000 9.304) 11.581 3.431 ( -0.268 0.000 15.506) 15.508 3.457 ( -1.783 0.000 15.132) 15.237 3.591 ( 11.839 0.000 6.500) 13.506 3.593 ( 2.453 0.000 11.621) 11.877 3.854 ( -6.841 0.000 -2.985) 7.464 3.969 ( 2.394 0.000 15.135) 15.323 3.998 ( -5.021 0.000 -0.956) 5.111 4.150 ( -8.556 0.000 0.611) 8.578 4.239 ( 5.044 0.000 3.887) 6.368 4.245 ( 0.061 0.000 -2.897) 2.898 4.314 ( 2.134 0.000 4.436) 4.922 4.551 ( -3.945 0.000 -1.115) 4.099 4.653 ( 12.229 0.000 -5.561) 13.434 4.846 ( 5.259 0.000 -4.195) 6.727 4.972 ( -3.734 0.000 16.570) 16.985 6.159 ( -12.024 0.000 -1.127) 12.076 9.809 ( -0.560 0.000 -1.855) 1.937 10.028 ( -1.675 0.000 -4.127) 4.454 13.410 ( 1.073 0.000 -0.444) 1.161 13.439 ( 0.467 0.000 -1.586) 1.653 14.228 ( -0.001 0.000 5.830) 5.830 14.582 ( -7.769 0.000 3.227) 8.412 16.482 ( -1.741 0.000 -0.682) 1.870 16.568 ( -3.099 0.000 -1.132) 3.299 21.980 ( 1.200 0.000 -2.666) 2.924 22.117 ( 0.206 0.000 -4.688) 4.692 25.164 ( 0.048 0.000 1.990) 1.991 25.165 ( 0.014 0.000 1.998) 1.998 25.399 ( -0.398 0.000 -0.817) 0.909 25.432 ( -0.827 0.000 -0.818) 1.163 39.112 ( 2.548 0.000 -2.981) 3.921 39.455 ( 1.159 0.000 -7.538) 7.626 41.855 ( 0.077 0.000 -1.876) 1.877 41.866 ( -0.768 0.000 -1.729) 1.892 48.210 ( -1.159 0.000 -8.010) 8.094 48.368 ( -2.469 0.000 -10.116) 10.413 48.876 ( 21.627 0.000 -24.195) 32.452 48.900 ( 9.815 0.000 -16.736) 19.402======================= Grid point 137 (48/120) =======================q-point: ( 0.25 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 21.412 0.000 10.043) 23.650 2.123 ( 25.088 0.000 9.700) 26.898 2.389 ( -4.855 0.000 4.409) 6.558 2.661 ( 4.571 0.000 17.518) 18.105 2.779 ( -0.064 0.000 10.589) 10.590 2.838 ( 13.186 0.000 32.214) 34.808 2.939 ( 3.108 0.000 25.487) 25.676 3.111 ( -6.808 0.000 15.707) 17.118 3.179 ( -2.374 0.000 24.273) 24.388 3.185 ( -2.258 0.000 22.690) 22.802 3.426 ( -0.124 0.000 14.270) 14.270 3.478 ( 3.502 0.000 12.153) 12.647 3.596 ( -1.345 0.000 12.514) 12.586 3.658 ( -11.170 0.000 -2.878) 11.535 3.846 ( 5.736 0.000 0.303) 5.744 3.881 ( -4.565 0.000 -1.381) 4.770 4.025 ( 1.498 0.000 2.837) 3.208 4.118 ( 9.813 0.000 16.325) 19.048 4.211 ( -3.192 0.000 -3.332) 4.615 4.282 ( -1.876 0.000 -5.700) 6.001 4.417 ( 9.944 0.000 6.604) 11.938 4.529 ( 1.728 0.000 4.746) 5.051 4.809 ( -1.411 0.000 15.082) 15.148 4.905 ( 0.082 0.000 -4.991) 4.992 4.913 ( 1.064 0.000 2.739) 2.938 5.854 ( -16.665 0.000 -3.505) 17.030 9.802 ( 0.073 0.000 -1.336) 1.338 9.981 ( -2.806 0.000 -3.438) 4.438 13.437 ( 1.415 0.000 -1.030) 1.751 13.451 ( 0.662 0.000 -1.662) 1.789 14.230 ( 0.249 0.000 5.928) 5.933 14.423 ( -6.791 0.000 6.356) 9.302 16.445 ( -1.728 0.000 -1.268) 2.143 16.495 ( -3.641 0.000 -0.517) 3.677 22.012 ( 1.815 0.000 -2.975) 3.485 22.116 ( -0.316 0.000 -4.723) 4.733 25.165 ( 0.016 0.000 1.998) 1.998 25.165 ( 0.031 0.000 1.986) 1.986 25.392 ( -0.256 0.000 -1.025) 1.056 25.412 ( -0.992 0.000 -0.580) 1.149 39.179 ( 3.880 0.000 -3.442) 5.187 39.458 ( -1.083 0.000 -7.196) 7.277 41.853 ( -0.421 0.000 -1.797) 1.846 41.856 ( 0.041 0.000 -1.847) 1.848 48.205 ( 0.460 0.000 -9.199) 9.210 48.319 ( -2.189 0.000 -10.055) 10.290 49.140 ( 12.807 0.000 -20.494) 24.167 49.297 ( 17.150 0.000 -31.588) 35.944======================= Grid point 138 (49/120) =======================q-point: ( 0.38 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( 13.998 0.000 5.971) 15.218 2.286 ( -3.210 0.000 2.549) 4.099 2.495 ( 11.280 0.000 19.592) 22.607 2.731 ( 2.781 0.000 22.726) 22.895 2.774 ( 1.795 0.000 7.581) 7.791 2.976 ( 2.336 0.000 27.976) 28.073 2.989 ( -3.933 0.000 17.927) 18.353 3.077 ( -1.190 0.000 26.258) 26.285 3.142 ( -2.540 0.000 25.692) 25.817 3.253 ( 13.210 0.000 10.534) 16.896 3.358 ( -12.311 0.000 3.522) 12.805 3.453 ( 0.133 0.000 12.701) 12.702 3.522 ( 0.349 0.000 7.332) 7.340 3.557 ( -3.054 0.000 13.589) 13.928 3.824 ( -1.074 0.000 -1.445) 1.800 3.854 ( 2.303 0.000 -3.183) 3.929 4.104 ( -4.250 0.000 0.278) 4.259 4.177 ( -7.310 0.000 -3.686) 8.186 4.267 ( 13.008 0.000 -3.247) 13.407 4.321 ( 9.011 0.000 16.914) 19.165 4.586 ( 2.540 0.000 6.548) 7.024 4.690 ( -7.577 0.000 19.228) 20.667 4.722 ( 17.894 0.000 1.528) 17.959 4.858 ( -2.819 0.000 -4.039) 4.926 4.911 ( -3.107 0.000 8.669) 9.208 5.510 ( -17.142 0.000 -8.032) 18.930 9.817 ( 1.452 0.000 -1.217) 1.895 9.920 ( -3.124 0.000 -2.525) 4.016 13.461 ( 0.837 0.000 -1.548) 1.759 13.464 ( 0.519 0.000 -1.741) 1.817 14.240 ( 0.790 0.000 6.132) 6.182 14.318 ( -3.686 0.000 6.832) 7.762 16.417 ( -0.952 0.000 -1.533) 1.804 16.434 ( -2.135 0.000 -0.541) 2.203 22.049 ( 1.768 0.000 -3.366) 3.802 22.104 ( -0.876 0.000 -4.300) 4.389 25.165 ( 0.011 0.000 1.998) 1.998 25.165 ( 0.005 0.000 1.993) 1.993 25.389 ( -0.112 0.000 -1.050) 1.056 25.396 ( -0.596 0.000 -0.549) 0.811 39.262 ( 4.110 0.000 -3.952) 5.702 39.414 ( -3.006 0.000 -5.803) 6.535 41.850 ( 0.038 0.000 -1.891) 1.891 41.856 ( -0.102 0.000 -1.844) 1.847 48.222 ( 1.091 0.000 -10.043) 10.102 48.279 ( -1.722 0.000 -10.310) 10.453 49.385 ( 10.469 0.000 -24.615) 26.749 49.529 ( 5.589 0.000 -31.606) 32.096======================= Grid point 139 (50/120) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 2.219 ( -3.946 0.000 3.863) 5.522 2.219 ( 3.946 0.000 3.863) 5.522 2.678 ( -6.898 0.000 23.203) 24.206 2.678 ( 6.898 0.000 23.203) 24.206 2.953 ( -9.371 0.000 13.156) 16.152 2.953 ( 9.371 0.000 13.156) 16.152 3.001 ( -6.628 0.000 20.396) 21.446 3.001 ( 6.628 0.000 20.396) 21.446 3.094 ( -0.009 0.000 19.908) 19.908 3.094 ( 0.009 0.000 19.908) 19.908 3.474 ( -4.673 0.000 5.909) 7.534 3.474 ( 4.673 0.000 5.909) 7.534 3.509 ( -2.489 0.000 14.749) 14.958 3.509 ( 2.489 0.000 14.749) 14.958 3.887 ( -3.457 0.000 -4.806) 5.920 3.887 ( 3.457 0.000 -4.806) 5.920 4.036 ( -1.408 0.000 -0.367) 1.456 4.036 ( 1.408 0.000 -0.367) 1.456 4.478 ( -0.526 0.000 9.894) 9.908 4.478 ( 0.526 0.000 9.894) 9.908 4.555 ( -0.872 0.000 4.673) 4.754 4.555 ( 0.872 0.000 4.673) 4.754 4.824 ( -3.573 0.000 14.707) 15.135 4.824 ( 3.573 0.000 14.707) 15.135 5.142 ( -19.313 0.000 -9.201) 21.393 5.142 ( 19.313 0.000 -9.201) 21.393 9.860 ( -2.623 0.000 -1.680) 3.115 9.860 ( 2.623 0.000 -1.680) 3.115 13.470 ( -0.000 0.000 -1.752) 1.752 13.470 ( 0.000 0.000 -1.752) 1.752 14.265 ( -1.757 0.000 6.475) 6.709 14.265 ( 1.757 0.000 6.475) 6.709 16.410 ( -0.338 0.000 -1.121) 1.171 16.410 ( 0.338 0.000 -1.121) 1.171 22.081 ( -1.365 0.000 -3.805) 4.043 22.081 ( 1.365 0.000 -3.805) 4.043 25.165 ( -0.005 0.000 1.997) 1.997 25.165 ( 0.005 0.000 1.997) 1.997 25.388 ( -0.134 0.000 -0.789) 0.801 25.388 ( 0.134 0.000 -0.789) 0.801 39.343 ( -3.824 0.000 -4.652) 6.022 39.343 ( 3.824 0.000 -4.652) 6.022 41.853 ( -0.191 0.000 -1.879) 1.888 41.853 ( 0.191 0.000 -1.879) 1.888 48.248 ( -1.405 0.000 -10.406) 10.501 48.248 ( 1.405 0.000 -10.406) 10.501 49.539 ( -4.088 0.000 -28.499) 28.791 49.539 ( 4.088 0.000 -28.499) 28.791======================= Grid point 144 (51/120) =======================q-point: ( 0.00 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 0.000 11.690 18.966) 22.280 1.301 ( 0.000 24.024 14.027) 27.820 2.202 ( 0.000 -17.032 7.428) 18.582 2.541 ( 0.000 -10.392 19.364) 21.976 2.678 ( 0.000 5.583 36.326) 36.753 2.766 ( 0.000 2.951 21.587) 21.788 2.911 ( 0.000 6.039 4.691) 7.647 3.209 ( 0.000 0.792 24.345) 24.358 3.221 ( 0.000 0.872 22.567) 22.584 3.296 ( 0.000 -6.899 8.993) 11.334 3.333 ( 0.000 -4.924 16.174) 16.907 3.466 ( 0.000 -1.381 12.188) 12.266 3.565 ( 0.000 3.904 9.981) 10.717 3.646 ( 0.000 8.412 18.051) 19.915 3.887 ( 0.000 -2.507 0.178) 2.514 3.960 ( 0.000 -2.062 12.156) 12.330 3.984 ( 0.000 -10.993 0.835) 11.025 4.092 ( 0.000 0.474 -0.453) 0.656 4.124 ( 0.000 -4.602 1.280) 4.777 4.345 ( 0.000 -5.173 15.093) 15.955 4.404 ( 0.000 10.514 -2.227) 10.747 4.510 ( 0.000 3.618 -8.351) 9.101 4.633 ( 0.000 -0.197 -5.854) 5.857 4.653 ( 0.000 -1.025 0.905) 1.367 5.263 ( 0.000 18.896 7.452) 20.312 6.187 ( 0.000 -10.705 -0.298) 10.709 9.840 ( 0.000 2.510 -2.306) 3.408 10.026 ( 0.000 -2.078 -4.125) 4.619 13.395 ( 0.000 -0.282 -0.200) 0.346 13.426 ( 0.000 -0.852 -1.401) 1.640 14.249 ( 0.000 2.372 5.966) 6.420 14.594 ( 0.000 -7.837 2.614) 8.261 16.504 ( 0.000 0.290 -0.514) 0.591 16.588 ( 0.000 -1.486 -1.469) 2.090 21.997 ( 0.000 2.790 -3.548) 4.513 22.108 ( 0.000 -0.653 -4.518) 4.565 25.164 ( 0.000 0.072 2.000) 2.001 25.165 ( 0.000 0.084 1.975) 1.977 25.408 ( 0.000 0.359 -0.791) 0.869 25.438 ( 0.000 -0.374 -0.949) 1.020 39.151 ( 0.000 6.434 -4.766) 8.007 39.422 ( 0.000 -1.636 -7.053) 7.241 41.853 ( 0.000 -0.059 -1.875) 1.876 41.869 ( 0.000 -0.624 -1.729) 1.838 48.257 ( 0.000 2.373 -7.958) 8.305 48.495 ( 0.000 8.770 -13.230) 15.873 48.546 ( 0.000 -5.184 -15.073) 15.939 48.796 ( 0.000 0.055 -16.373) 16.373======================= Grid point 145 (52/120) =======================q-point: ( 0.12 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( 14.360 7.757 15.145) 22.266 1.662 ( 27.025 15.593 11.006) 33.085 2.270 ( 4.643 -15.042 5.568) 16.697 2.562 ( 2.838 -5.932 20.340) 21.377 2.725 ( 4.884 5.774 35.091) 35.897 2.770 ( 1.024 3.549 15.729) 16.157 2.921 ( 0.500 3.216 13.951) 14.325 3.183 ( -3.810 -1.931 21.784) 22.199 3.201 ( -0.906 0.652 24.556) 24.581 3.280 ( -3.404 -1.533 9.013) 9.756 3.324 ( 1.050 -6.529 15.434) 16.791 3.500 ( -0.878 2.277 13.499) 13.718 3.586 ( 7.699 -3.418 9.379) 12.607 3.667 ( -0.534 4.159 13.968) 14.583 3.838 ( -3.413 -0.621 -1.833) 3.924 3.954 ( -4.413 -4.281 1.710) 6.381 3.972 ( 2.158 -0.055 10.846) 11.059 4.064 ( -3.450 -0.730 4.673) 5.854 4.085 ( -0.167 -6.962 -0.034) 6.964 4.363 ( 2.216 -4.096 16.514) 17.158 4.435 ( 1.819 11.060 -3.496) 11.741 4.543 ( -3.030 2.302 -5.404) 6.609 4.652 ( 10.079 -0.058 -4.743) 11.139 4.751 ( 4.451 -2.233 -1.342) 5.157 5.217 ( -4.288 17.282 6.559) 18.975 6.065 ( -11.298 -9.827 -0.307) 14.976 9.833 ( -0.589 2.481 -2.022) 3.255 10.011 ( -1.479 -1.884 -3.894) 4.572 13.407 ( 1.059 -0.282 -0.464) 1.190 13.433 ( 0.641 -0.664 -1.505) 1.766 14.247 ( -0.240 2.073 5.982) 6.336 14.523 ( -5.992 -5.758 4.468) 9.435 16.480 ( -2.004 0.004 -0.480) 2.061 16.555 ( -2.965 -1.381 -1.093) 3.449 22.003 ( 0.648 2.226 -3.317) 4.047 22.110 ( 0.076 -0.825 -4.691) 4.764 25.164 ( 0.011 0.044 2.001) 2.001 25.166 ( 0.010 0.068 1.978) 1.979 25.404 ( -0.330 0.448 -0.864) 1.028 25.431 ( -0.648 -0.169 -0.905) 1.126 39.168 ( 1.682 5.567 -4.391) 7.287 39.437 ( 0.947 -1.982 -7.512) 7.827 41.854 ( 0.054 -0.092 -1.868) 1.871 41.862 ( -0.579 -0.393 -1.714) 1.851 48.234 ( -1.174 2.584 -8.574) 9.031 48.381 ( -3.981 0.681 -10.828) 11.557 48.856 ( 18.820 -0.448 -21.110) 28.284 48.919 ( 12.124 0.716 -19.834) 23.257======================= Grid point 146 (53/120) =======================q-point: ( 0.25 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 19.217 1.395 10.151) 21.778 2.139 ( 14.940 -2.678 8.277) 17.289 2.355 ( 5.523 0.260 8.849) 10.434 2.653 ( 5.039 -2.899 24.674) 25.349 2.771 ( -2.092 1.294 5.051) 5.618 2.917 ( 8.088 5.360 24.681) 26.519 2.936 ( 7.615 1.975 23.861) 25.124 3.070 ( -5.918 -3.295 18.681) 19.871 3.168 ( -2.529 1.183 24.940) 25.096 3.208 ( -3.083 -0.472 19.397) 19.646 3.346 ( -0.373 -7.327 11.086) 13.294 3.465 ( -2.739 2.310 13.270) 13.745 3.620 ( -1.958 1.324 11.853) 12.086 3.729 ( -2.580 0.191 3.074) 4.017 3.849 ( 6.991 2.055 2.227) 7.620 3.860 ( -1.654 -3.706 -0.034) 4.058 3.945 ( -0.284 -3.680 -0.236) 3.699 4.072 ( -0.288 -6.615 -0.193) 6.624 4.136 ( 7.516 0.865 16.261) 17.934 4.430 ( 2.874 -3.685 14.590) 15.320 4.449 ( 0.384 9.977 -0.679) 10.008 4.542 ( 4.091 5.689 -6.725) 9.712 4.758 ( -0.447 -1.369 5.838) 6.013 4.862 ( 5.366 -1.747 -2.356) 6.115 5.100 ( -6.879 12.438 4.248) 14.835 5.775 ( -16.057 -8.330 -2.287) 18.234 9.824 ( -0.076 2.287 -1.539) 2.758 9.970 ( -2.411 -1.263 -3.286) 4.267 13.433 ( 1.363 -0.330 -1.064) 1.761 13.448 ( 0.785 -0.367 -1.670) 1.881 14.242 ( -0.089 1.375 6.043) 6.198 14.397 ( -5.584 -2.696 6.467) 8.959 16.438 ( -1.904 -0.487 -0.796) 2.120 16.486 ( -3.403 -1.022 -0.594) 3.603 22.023 ( 1.290 1.174 -3.199) 3.643 22.107 ( -0.335 -0.986 -4.583) 4.700 25.165 ( 0.017 0.009 2.000) 2.000 25.166 ( -0.001 0.030 1.989) 1.989 25.397 ( -0.249 0.516 -1.077) 1.220 25.415 ( -0.852 0.172 -0.767) 1.159 39.217 ( 2.932 3.817 -4.117) 6.334 39.439 ( -0.891 -2.017 -7.010) 7.349 41.852 ( -0.316 -0.091 -1.809) 1.839 41.855 ( 0.034 -0.135 -1.856) 1.861 48.225 ( 0.186 2.055 -9.561) 9.781 48.321 ( -2.246 0.022 -10.348) 10.588 49.147 ( 13.004 0.849 -21.164) 24.854 49.275 ( 16.363 -2.320 -30.022) 34.271======================= Grid point 147 (54/120) =======================q-point: ( 0.38 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 14.230 -1.371 6.422) 15.672 2.266 ( 1.210 -3.061 3.034) 4.476 2.510 ( 7.481 1.757 19.984) 21.411 2.713 ( -0.272 -5.230 12.351) 13.416 2.747 ( 2.669 1.472 19.449) 19.686 2.908 ( -1.233 -5.570 17.223) 18.144 2.996 ( -1.112 -1.436 26.736) 26.798 3.103 ( -3.817 1.477 24.208) 24.552 3.112 ( -3.131 -0.737 21.488) 21.727 3.211 ( -10.052 -9.379 13.304) 19.132 3.321 ( 13.974 5.736 8.343) 17.256 3.462 ( 3.048 3.835 12.870) 13.771 3.585 ( -2.570 2.406 12.162) 12.662 3.660 ( -3.030 6.884 6.666) 10.050 3.802 ( -2.680 -2.063 -0.874) 3.493 3.852 ( 0.664 -2.675 -3.905) 4.780 4.039 ( 0.432 0.356 0.482) 0.739 4.230 ( 15.336 -2.369 -1.467) 15.588 4.304 ( 7.748 -0.345 17.542) 19.180 4.368 ( -4.994 11.197 -5.336) 13.372 4.520 ( 2.637 -6.222 16.896) 18.198 4.682 ( -2.240 2.565 1.433) 3.695 4.756 ( 11.934 0.560 -2.691) 12.246 4.887 ( -2.589 0.343 7.292) 7.745 4.951 ( -6.862 5.920 6.552) 11.183 5.442 ( -16.498 -7.174 -6.127) 19.006 9.834 ( 1.113 1.733 -1.406) 2.494 9.918 ( -2.619 -0.284 -2.494) 3.627 13.456 ( 0.830 -0.395 -1.558) 1.808 13.462 ( 0.492 -0.289 -1.761) 1.851 14.246 ( 0.470 0.626 6.187) 6.236 14.309 ( -3.122 -0.973 6.754) 7.504 16.409 ( -0.888 -0.638 -1.041) 1.510 16.429 ( -2.036 -0.629 -0.693) 2.241 22.051 ( 1.402 0.280 -3.383) 3.673 22.096 ( -0.736 -0.815 -4.150) 4.293 25.165 ( 0.018 -0.002 1.999) 1.999 25.166 ( -0.008 0.008 1.997) 1.997 25.394 ( -0.132 0.475 -1.100) 1.206 25.400 ( -0.547 0.373 -0.733) 0.987 39.281 ( 3.252 1.974 -4.212) 5.676 39.404 ( -2.454 -1.148 -5.686) 6.298 41.850 ( 0.044 0.004 -1.895) 1.896 41.855 ( -0.075 -0.115 -1.858) 1.863 48.236 ( 0.824 1.442 -10.330) 10.463 48.284 ( -1.518 0.338 -10.555) 10.669 49.388 ( 9.959 0.453 -24.874) 26.797 49.504 ( 6.030 -2.482 -30.512) 31.201======================= Grid point 148 (55/120) =======================q-point: (-0.50 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( -5.413 0.681 3.922) 6.719 2.224 ( 5.413 0.681 3.922) 6.719 2.653 ( -6.483 -3.974 18.916) 20.387 2.653 ( 6.483 -3.974 18.916) 20.387 2.870 ( -7.977 -5.466 14.567) 17.484 2.870 ( 7.977 -5.466 14.567) 17.484 2.988 ( -2.790 -1.608 22.102) 22.335 2.988 ( 2.790 -1.608 22.102) 22.335 3.081 ( -1.695 -0.656 23.209) 23.280 3.081 ( 1.695 -0.656 23.209) 23.280 3.484 ( -3.830 1.530 7.240) 8.333 3.484 ( 3.830 1.530 7.240) 8.333 3.593 ( -4.048 6.324 12.431) 14.523 3.593 ( 4.048 6.324 12.431) 14.523 3.814 ( -3.266 -4.919 -3.908) 7.081 3.814 ( 3.266 -4.919 -3.908) 7.081 4.172 ( -10.230 11.044 -1.944) 15.179 4.172 ( 10.230 11.044 -1.944) 15.179 4.448 ( -3.196 -3.139 15.073) 15.724 4.448 ( 3.196 -3.139 15.073) 15.724 4.561 ( -7.341 1.054 -1.928) 7.663 4.561 ( 7.341 1.054 -1.928) 7.663 4.847 ( -1.689 1.551 13.169) 13.367 4.847 ( 1.689 1.551 13.169) 13.367 5.097 ( -17.353 -4.329 -6.484) 19.024 5.097 ( 17.353 -4.329 -6.484) 19.024 9.868 ( -2.142 0.809 -1.777) 2.898 9.868 ( 2.142 0.809 -1.777) 2.898 13.466 ( -0.135 -0.367 -1.755) 1.798 13.466 ( 0.135 -0.367 -1.755) 1.798 14.264 ( -1.418 -0.072 6.453) 6.608 14.264 ( 1.418 -0.072 6.453) 6.608 16.404 ( -0.478 -0.544 -0.980) 1.218 16.404 ( 0.478 -0.544 -0.980) 1.218 22.077 ( -1.115 -0.371 -3.718) 3.899 22.077 ( 1.115 -0.371 -3.718) 3.899 25.165 ( -0.013 0.001 1.998) 1.998 25.165 ( 0.013 0.001 1.998) 1.998 25.393 ( -0.124 0.434 -0.899) 1.006 25.393 ( 0.124 0.434 -0.899) 1.006 39.346 ( -3.085 0.274 -4.682) 5.614 39.346 ( 3.085 0.274 -4.682) 5.614 41.852 ( -0.156 -0.041 -1.886) 1.893 41.852 ( 0.156 -0.041 -1.886) 1.893 48.257 ( -1.149 0.866 -10.663) 10.759 48.257 ( 1.149 0.866 -10.663) 10.759 49.528 ( -3.303 -1.030 -28.136) 28.348 49.528 ( 3.303 -1.030 -28.136) 28.348======================= Grid point 153 (56/120) =======================q-point: ( 0.00 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 0.000 17.472 14.455) 22.676 1.698 ( 0.000 4.167 10.370) 11.176 1.955 ( 0.000 3.417 7.974) 8.675 2.283 ( 0.000 -18.370 12.008) 21.946 2.773 ( 0.000 4.467 32.484) 32.790 2.804 ( 0.000 0.943 21.566) 21.586 2.994 ( 0.000 3.876 12.420) 13.011 3.128 ( 0.000 -10.544 17.722) 20.622 3.221 ( 0.000 0.622 24.129) 24.137 3.230 ( 0.000 -0.115 24.269) 24.269 3.320 ( 0.000 2.742 10.637) 10.985 3.391 ( 0.000 -4.720 8.539) 9.757 3.655 ( 0.000 5.555 10.490) 11.870 3.736 ( 0.000 -0.952 12.624) 12.660 3.849 ( 0.000 -0.202 0.651) 0.681 3.878 ( 0.000 -2.414 -2.577) 3.532 3.978 ( 0.000 5.791 13.583) 14.766 4.060 ( 0.000 -1.770 9.236) 9.404 4.087 ( 0.000 -0.878 6.356) 6.417 4.167 ( 0.000 -10.777 15.306) 18.719 4.573 ( 0.000 2.811 -7.552) 8.058 4.579 ( 0.000 5.630 -5.586) 7.931 4.631 ( 0.000 1.070 -4.389) 4.517 4.672 ( 0.000 -0.102 -0.598) 0.606 5.609 ( 0.000 18.603 2.814) 18.815 5.932 ( 0.000 -16.490 1.106) 16.527 9.901 ( 0.000 3.920 -2.763) 4.796 9.973 ( 0.000 -3.663 -3.468) 5.044 13.394 ( 0.000 0.322 -0.441) 0.546 13.407 ( 0.000 -1.008 -0.964) 1.395 14.317 ( 0.000 5.167 6.211) 8.079 14.439 ( 0.000 -8.089 5.545) 9.808 16.520 ( 0.000 1.475 -0.806) 1.681 16.554 ( 0.000 -2.092 -1.218) 2.421 22.050 ( 0.000 2.667 -4.642) 5.354 22.088 ( 0.000 -1.550 -4.757) 5.003 25.166 ( 0.000 0.076 1.987) 1.988 25.166 ( 0.000 0.009 1.968) 1.968 25.417 ( 0.000 0.608 -0.850) 1.045 25.428 ( 0.000 -0.613 -0.914) 1.101 39.277 ( 0.000 6.484 -7.063) 9.587 39.372 ( 0.000 -3.887 -7.426) 8.382 41.853 ( 0.000 0.102 -1.809) 1.811 41.858 ( 0.000 -0.485 -1.713) 1.781 48.328 ( 0.000 5.208 -9.861) 11.152 48.437 ( 0.000 -6.367 -12.324) 13.872 48.659 ( 0.000 8.101 -16.913) 18.753 48.767 ( 0.000 -3.600 -17.698) 18.060======================= Grid point 154 (57/120) =======================q-point: ( 0.12 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 8.296 15.424 12.155) 21.318 1.806 ( 7.746 -9.378 9.549) 15.465 2.147 ( 16.266 9.740 8.771) 20.890 2.391 ( 8.905 -12.377 16.412) 22.402 2.823 ( 3.471 3.600 21.847) 22.412 2.838 ( 4.336 3.129 23.474) 24.075 2.976 ( -1.106 4.682 14.024) 14.826 3.145 ( 1.522 -9.738 12.967) 16.288 3.199 ( -2.822 1.836 21.690) 21.950 3.221 ( -0.511 0.363 23.799) 23.807 3.277 ( -2.950 0.808 15.120) 15.426 3.384 ( 0.579 -10.192 11.920) 15.694 3.610 ( -3.330 5.169 11.646) 13.169 3.686 ( -3.215 -2.167 11.589) 12.220 3.848 ( -0.811 2.011 -1.711) 2.762 3.917 ( 0.423 -4.710 -2.770) 5.481 3.996 ( 0.641 4.780 12.506) 13.403 4.020 ( -1.884 1.828 7.538) 7.982 4.093 ( 0.948 1.262 9.635) 9.764 4.200 ( 3.416 -9.836 17.713) 20.547 4.593 ( 0.705 2.058 -6.869) 7.205 4.596 ( 2.813 3.432 -5.636) 7.173 4.673 ( 5.184 3.695 -3.522) 7.275 4.734 ( 3.655 -1.457 -1.686) 4.281 5.533 ( -7.217 17.010 2.873) 18.700 5.829 ( -9.571 -15.208 1.165) 18.007 9.893 ( -0.732 3.807 -2.525) 4.627 9.961 ( -1.064 -3.449 -3.258) 4.862 13.406 ( 1.041 0.307 -0.723) 1.304 13.418 ( 0.910 -0.881 -1.186) 1.735 14.305 ( -1.101 4.368 6.253) 7.707 14.405 ( -3.007 -6.421 5.989) 9.281 16.491 ( -2.466 1.259 -0.509) 2.815 16.523 ( -2.761 -2.001 -0.848) 3.514 22.048 ( -0.059 2.462 -4.223) 4.888 22.087 ( -0.155 -1.704 -4.615) 4.922 25.165 ( -0.019 0.066 1.995) 1.996 25.166 ( -0.019 -0.004 1.980) 1.980 25.414 ( -0.246 0.648 -0.962) 1.186 25.425 ( -0.350 -0.486 -0.998) 1.164 39.283 ( 0.615 6.266 -6.405) 8.982 39.380 ( 0.543 -4.256 -7.300) 8.467 41.853 ( -0.036 0.006 -1.827) 1.827 41.855 ( -0.250 -0.285 -1.749) 1.790 48.298 ( -1.937 4.042 -9.889) 10.857 48.364 ( -3.763 -2.694 -11.029) 11.960 48.875 ( 15.746 2.138 -20.612) 26.026 48.912 ( 12.776 -1.474 -20.533) 24.228======================= Grid point 155 (58/120) =======================q-point: ( 0.25 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 13.636 8.880 9.268) 18.726 1.974 ( 8.880 -12.456 7.407) 16.997 2.441 ( 10.200 6.685 17.684) 21.482 2.561 ( 6.719 -6.239 23.023) 24.781 2.818 ( -3.390 3.154 8.572) 9.743 2.884 ( -3.230 -3.870 12.633) 13.602 3.054 ( -1.764 4.181 18.990) 19.525 3.115 ( 6.019 5.037 19.649) 21.158 3.167 ( -2.857 -1.069 18.507) 18.757 3.210 ( -0.245 0.739 23.624) 23.636 3.254 ( 1.886 2.513 13.880) 14.231 3.465 ( 5.165 -10.510 8.410) 14.418 3.600 ( 4.595 0.948 14.801) 15.527 3.647 ( -0.049 -2.143 11.881) 12.072 3.813 ( -1.345 0.204 -2.702) 3.025 3.860 ( -3.945 -4.597 -0.064) 6.058 3.962 ( -0.004 5.265 3.043) 6.081 4.019 ( -0.214 -1.323 2.959) 3.249 4.176 ( 6.249 4.008 17.615) 19.115 4.290 ( 4.872 -7.988 18.796) 20.996 4.635 ( 0.504 6.754 -4.378) 8.064 4.652 ( 4.531 4.859 -7.560) 10.065 4.756 ( 1.090 0.730 1.353) 1.884 4.812 ( 4.308 -3.839 -2.878) 6.448 5.335 ( -11.603 13.192 3.392) 17.893 5.575 ( -14.484 -12.743 0.640) 19.303 9.878 ( -0.592 3.294 -2.096) 3.949 9.934 ( -1.486 -2.668 -2.791) 4.137 13.431 ( 1.243 0.169 -1.266) 1.782 13.439 ( 1.013 -0.597 -1.550) 1.945 14.280 ( -1.187 2.690 6.314) 6.965 14.337 ( -3.167 -3.476 6.521) 8.039 16.438 ( -2.357 0.680 -0.372) 2.481 16.460 ( -2.922 -1.558 -0.458) 3.343 22.051 ( 0.346 1.745 -3.691) 4.097 22.083 ( -0.217 -1.642 -4.203) 4.517 25.165 ( -0.008 0.040 2.002) 2.003 25.166 ( -0.020 -0.018 1.996) 1.996 25.408 ( -0.311 0.570 -1.146) 1.317 25.415 ( -0.545 -0.161 -1.056) 1.199 39.302 ( 1.132 4.982 -5.410) 7.441 39.385 ( -0.217 -3.915 -6.432) 7.533 41.851 ( -0.127 -0.003 -1.841) 1.846 41.852 ( -0.007 -0.133 -1.862) 1.867 48.271 ( -0.670 2.646 -10.296) 10.652 48.310 ( -1.773 -1.393 -10.654) 10.890 49.174 ( 13.569 2.132 -23.219) 26.978 49.223 ( 14.753 -3.026 -26.530) 30.507======================= Grid point 156 (59/120) =======================q-point: ( 0.38 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 13.060 3.935 6.670) 15.183 2.163 ( 9.046 -7.433 5.394) 12.891 2.556 ( 0.058 3.208 17.621) 17.911 2.624 ( -1.716 -4.215 15.104) 15.775 2.770 ( 1.518 0.968 16.584) 16.682 2.809 ( -1.060 -4.027 14.100) 14.702 2.984 ( -3.448 1.525 26.344) 26.612 3.052 ( -5.716 -5.332 20.181) 21.642 3.123 ( -3.035 0.993 23.013) 23.234 3.138 ( -4.875 -0.396 23.026) 23.540 3.446 ( 6.440 7.314 6.309) 11.609 3.526 ( 2.057 0.567 8.727) 8.985 3.630 ( 0.872 2.465 12.352) 12.626 3.688 ( 0.780 -3.781 4.421) 5.869 3.781 ( -3.702 1.007 1.699) 4.196 3.803 ( -2.170 -1.349 0.414) 2.588 4.094 ( 10.769 3.999 0.005) 11.488 4.168 ( 17.639 -4.013 -1.610) 18.161 4.308 ( 6.222 1.793 17.655) 18.805 4.381 ( 3.507 -5.805 17.660) 18.917 4.598 ( -4.007 9.578 -5.524) 11.760 4.708 ( -2.875 -2.334 -0.992) 3.833 4.784 ( 5.024 4.158 -4.814) 8.105 4.861 ( 0.139 -3.155 3.596) 4.786 5.091 ( -11.104 8.903 7.088) 15.899 5.272 ( -14.590 -10.525 -0.094) 17.990 9.872 ( 0.108 2.154 -1.856) 2.846 9.905 ( -1.336 -1.255 -2.291) 2.934 13.451 ( 0.724 -0.046 -1.629) 1.783 13.455 ( 0.539 -0.380 -1.740) 1.861 14.262 ( -0.455 1.161 6.343) 6.464 14.286 ( -1.809 -1.375 6.560) 6.942 16.403 ( -1.070 0.144 -0.605) 1.238 16.414 ( -1.614 -0.913 -0.596) 1.948 22.061 ( 0.559 0.751 -3.512) 3.635 22.078 ( -0.257 -1.077 -3.811) 3.969 25.165 ( 0.008 0.017 2.002) 2.002 25.165 ( -0.008 -0.013 2.001) 2.001 25.402 ( -0.226 0.397 -1.160) 1.246 25.405 ( -0.398 0.119 -1.040) 1.120 39.326 ( 1.234 2.723 -4.786) 5.643 39.373 ( -0.914 -2.218 -5.336) 5.850 41.850 ( 0.034 0.069 -1.899) 1.900 41.852 ( -0.014 -0.137 -1.885) 1.890 48.266 ( 0.075 1.532 -10.839) 10.947 48.285 ( -0.861 -0.409 -10.931) 10.972 49.407 ( 8.677 1.712 -25.937) 27.403 49.451 ( 7.188 -2.987 -28.081) 29.140======================= Grid point 157 (60/120) =======================q-point: (-0.50 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( -4.170 1.425 3.780) 5.806 2.246 ( 4.170 1.425 3.780) 5.806 2.539 ( -3.590 -5.576 11.600) 13.362 2.539 ( 3.590 -5.576 11.600) 13.362 2.841 ( -3.250 1.064 22.207) 22.468 2.841 ( 3.250 1.064 22.207) 22.468 2.936 ( -3.529 -2.947 23.808) 24.248 2.936 ( 3.529 -2.947 23.808) 24.248 3.086 ( -0.083 0.627 23.521) 23.529 3.086 ( 0.083 0.627 23.521) 23.529 3.513 ( -2.180 1.187 6.988) 7.416 3.513 ( 2.180 1.187 6.988) 7.416 3.686 ( -3.247 3.309 11.499) 12.399 3.686 ( 3.247 3.309 11.499) 12.399 3.741 ( -2.490 -2.811 -2.774) 4.669 3.741 ( 2.490 -2.811 -2.774) 4.669 4.358 ( -9.301 6.466 2.056) 11.513 4.358 ( 9.301 6.466 2.056) 11.513 4.397 ( -1.056 -0.850 12.390) 12.464 4.397 ( 1.056 -0.850 12.390) 12.464 4.581 ( -8.143 0.591 -8.458) 11.755 4.581 ( 8.143 0.591 -8.458) 11.755 4.846 ( -0.498 -1.564 6.966) 7.157 4.846 ( 0.498 -1.564 6.966) 7.157 5.027 ( -7.409 -2.133 3.247) 8.366 5.027 ( 7.409 -2.133 3.247) 8.366 9.882 ( -0.830 0.503 -1.933) 2.163 9.882 ( 0.830 0.503 -1.933) 2.163 13.459 ( -0.085 -0.230 -1.758) 1.775 13.459 ( 0.085 -0.230 -1.758) 1.775 14.263 ( -0.540 -0.045 6.418) 6.441 14.263 ( 0.540 -0.045 6.418) 6.441 16.395 ( -0.264 -0.333 -0.754) 0.866 16.395 ( 0.264 -0.333 -0.754) 0.866 22.071 ( -0.432 -0.227 -3.579) 3.613 22.071 ( 0.432 -0.227 -3.579) 3.613 25.165 ( -0.008 0.001 2.001) 2.001 25.165 ( 0.008 0.001 2.001) 2.001 25.400 ( -0.057 0.266 -1.073) 1.107 25.400 ( 0.057 0.266 -1.073) 1.107 39.351 ( -1.173 0.169 -4.730) 4.876 39.351 ( 1.173 0.169 -4.730) 4.876 41.851 ( -0.060 -0.025 -1.899) 1.900 41.851 ( 0.060 -0.025 -1.899) 1.900 48.272 ( -0.447 0.548 -11.090) 11.113 48.272 ( 0.447 0.548 -11.090) 11.113 49.510 ( -1.259 -0.649 -27.537) 27.573 49.510 ( 1.259 -0.649 -27.537) 27.573======================= Grid point 180 (61/120) =======================q-point: ( 0.00 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 0.000 0.000 20.442) 20.442 1.476 ( 0.000 0.000 21.112) 21.112 2.539 ( 0.000 0.000 6.935) 6.935 2.764 ( 0.000 0.000 1.564) 1.564 2.866 ( 0.000 0.000 4.313) 4.313 3.080 ( 0.000 0.000 11.483) 11.483 3.414 ( 0.000 0.000 33.740) 33.740 3.454 ( 0.000 0.000 0.969) 0.969 3.569 ( 0.000 0.000 14.414) 14.414 3.631 ( 0.000 0.000 17.040) 17.040 3.694 ( 0.000 0.000 9.314) 9.314 3.770 ( 0.000 0.000 16.735) 16.735 3.783 ( 0.000 0.000 4.495) 4.495 3.800 ( 0.000 0.000 17.779) 17.779 3.846 ( 0.000 0.000 -4.860) 4.860 3.995 ( 0.000 0.000 5.613) 5.613 4.179 ( 0.000 0.000 -4.494) 4.494 4.205 ( 0.000 0.000 2.904) 2.904 4.241 ( 0.000 0.000 5.878) 5.878 4.276 ( 0.000 0.000 -8.782) 8.782 4.399 ( 0.000 0.000 9.344) 9.344 4.405 ( 0.000 0.000 9.023) 9.023 4.604 ( 0.000 0.000 5.796) 5.796 4.866 ( 0.000 0.000 10.465) 10.465 5.343 ( 0.000 0.000 15.649) 15.649 6.245 ( 0.000 0.000 -3.713) 3.713 9.773 ( 0.000 0.000 -2.241) 2.241 9.958 ( 0.000 0.000 -4.493) 4.493 13.395 ( 0.000 0.000 -0.184) 0.184 13.405 ( 0.000 0.000 -1.396) 1.396 14.334 ( 0.000 0.000 4.947) 4.947 14.679 ( 0.000 0.000 0.220) 0.220 16.492 ( 0.000 0.000 -0.570) 0.570 16.573 ( 0.000 0.000 -1.466) 1.466 21.917 ( 0.000 0.000 -2.525) 2.525 22.030 ( 0.000 0.000 -4.126) 4.126 25.202 ( 0.000 0.000 1.936) 1.936 25.204 ( 0.000 0.000 1.990) 1.990 25.389 ( 0.000 0.000 -0.804) 0.804 25.422 ( 0.000 0.000 -0.985) 0.985 39.030 ( 0.000 0.000 -2.740) 2.740 39.306 ( 0.000 0.000 -6.291) 6.291 41.818 ( 0.000 0.000 -1.805) 1.805 41.840 ( 0.000 0.000 -1.839) 1.839 48.096 ( 0.000 0.000 -7.423) 7.423 48.192 ( 0.000 0.000 -10.646) 10.646 48.272 ( 0.000 0.000 -16.471) 16.471 48.499 ( 0.000 0.000 -14.452) 14.452======================= Grid point 181 (62/120) =======================q-point: ( 0.12 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 12.741 0.000 17.639) 21.759 1.773 ( 24.539 0.000 15.483) 29.016 2.591 ( -8.467 0.000 2.812) 8.922 2.636 ( 8.457 0.000 5.772) 10.239 3.060 ( -2.087 0.000 9.645) 9.869 3.079 ( 11.813 0.000 5.982) 13.241 3.415 ( 0.051 0.000 30.398) 30.398 3.418 ( -3.596 0.000 3.313) 4.890 3.566 ( -0.438 0.000 10.443) 10.452 3.622 ( -0.994 0.000 15.298) 15.330 3.684 ( -0.938 0.000 9.261) 9.308 3.727 ( -1.615 0.000 6.435) 6.635 3.743 ( -3.424 0.000 5.573) 6.541 3.800 ( 0.300 0.000 17.540) 17.543 3.898 ( 3.106 0.000 11.918) 12.316 4.031 ( 2.859 0.000 4.583) 5.401 4.132 ( -3.051 0.000 0.116) 3.054 4.183 ( -4.522 0.000 5.543) 7.154 4.235 ( -0.092 0.000 -0.698) 0.704 4.240 ( -0.063 0.000 0.455) 0.459 4.460 ( 3.788 0.000 10.653) 11.306 4.518 ( 9.718 0.000 -3.132) 10.210 4.585 ( -0.122 0.000 4.590) 4.592 4.924 ( 4.474 0.000 10.860) 11.746 5.304 ( -3.798 0.000 15.875) 16.323 6.133 ( -10.399 0.000 -2.066) 10.602 9.772 ( -0.076 0.000 -1.974) 1.976 9.946 ( -1.174 0.000 -4.217) 4.378 13.402 ( 0.645 0.000 -0.407) 0.763 13.409 ( 0.373 0.000 -1.463) 1.510 14.335 ( 0.085 0.000 5.004) 5.005 14.628 ( -4.502 0.000 1.743) 4.828 16.469 ( -2.025 0.000 -0.642) 2.124 16.546 ( -2.534 0.000 -1.184) 2.797 21.928 ( 0.981 0.000 -2.640) 2.816 22.030 ( 0.047 0.000 -4.172) 4.172 25.203 ( 0.035 0.000 1.930) 1.930 25.204 ( 0.011 0.000 1.987) 1.987 25.383 ( -0.472 0.000 -0.807) 0.935 25.415 ( -0.622 0.000 -0.884) 1.081 39.053 ( 2.201 0.000 -2.917) 3.654 39.318 ( 0.830 0.000 -6.473) 6.526 41.819 ( 0.090 0.000 -1.804) 1.806 41.832 ( -0.669 0.000 -1.738) 1.862 48.049 ( -2.199 0.000 -8.396) 8.679 48.167 ( -2.105 0.000 -10.264) 10.478 48.451 ( 13.859 0.000 -19.654) 24.049 48.574 ( 6.712 0.000 -16.314) 17.641======================= Grid point 182 (63/120) =======================q-point: ( 0.25 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 16.350 0.000 12.240) 20.424 2.269 ( 18.222 0.000 6.138) 19.228 2.483 ( 0.860 0.000 5.927) 5.989 2.804 ( 5.332 0.000 4.849) 7.207 3.010 ( -0.966 0.000 6.881) 6.948 3.281 ( 7.413 0.000 10.589) 12.926 3.331 ( -3.989 0.000 7.234) 8.261 3.406 ( -0.891 0.000 15.565) 15.591 3.563 ( 0.352 0.000 9.114) 9.121 3.588 ( -2.302 0.000 10.364) 10.617 3.644 ( -2.840 0.000 12.448) 12.768 3.668 ( -4.449 0.000 7.679) 8.875 3.731 ( 1.434 0.000 7.440) 7.577 3.804 ( 0.516 0.000 19.486) 19.493 3.941 ( -0.384 0.000 11.625) 11.631 3.967 ( -7.347 0.000 7.928) 10.809 4.126 ( 0.873 0.000 8.158) 8.205 4.187 ( 1.748 0.000 -1.459) 2.277 4.222 ( -0.702 0.000 5.598) 5.642 4.269 ( 7.621 0.000 -2.705) 8.087 4.530 ( 4.009 0.000 13.596) 14.175 4.627 ( 2.896 0.000 1.170) 3.124 4.736 ( 9.959 0.000 -9.835) 13.996 5.016 ( 4.494 0.000 14.208) 14.902 5.195 ( -6.678 0.000 16.217) 17.538 5.857 ( -15.658 0.000 2.072) 15.794 9.774 ( 0.452 0.000 -1.494) 1.561 9.913 ( -1.970 0.000 -3.488) 4.006 13.418 ( 0.829 0.000 -0.945) 1.257 13.419 ( 0.542 0.000 -1.609) 1.698 14.339 ( 0.406 0.000 5.149) 5.165 14.524 ( -5.058 0.000 4.128) 6.529 16.423 ( -2.194 0.000 -0.974) 2.401 16.482 ( -3.336 0.000 -0.759) 3.421 21.954 ( 1.479 0.000 -2.924) 3.277 22.030 ( -0.143 0.000 -4.139) 4.142 25.203 ( 0.034 0.000 1.924) 1.924 25.204 ( 0.010 0.000 1.977) 1.977 25.374 ( -0.385 0.000 -0.883) 0.964 25.400 ( -0.846 0.000 -0.714) 1.107 39.113 ( 3.431 0.000 -3.310) 4.767 39.326 ( -0.230 0.000 -6.216) 6.221 41.819 ( -0.489 0.000 -1.672) 1.742 41.820 ( 0.050 0.000 -1.804) 1.805 48.024 ( -0.496 0.000 -9.286) 9.299 48.120 ( -2.326 0.000 -10.106) 10.370 48.740 ( 8.843 0.000 -20.128) 21.984 48.742 ( 13.189 0.000 -25.540) 28.745======================= Grid point 183 (64/120) =======================q-point: ( 0.38 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( 10.584 0.000 7.343) 12.882 2.338 ( -1.842 0.000 2.948) 3.476 2.735 ( 13.759 0.000 7.641) 15.739 2.838 ( 2.323 0.000 4.021) 4.644 3.049 ( 1.328 0.000 6.887) 7.014 3.273 ( -7.688 0.000 1.106) 7.767 3.294 ( 1.611 0.000 10.841) 10.960 3.470 ( 2.998 0.000 13.334) 13.667 3.515 ( -1.006 0.000 8.049) 8.112 3.532 ( -3.003 0.000 8.796) 9.295 3.548 ( -5.498 0.000 14.153) 15.183 3.692 ( 6.520 0.000 13.187) 14.711 3.754 ( -0.231 0.000 17.736) 17.738 3.805 ( -4.778 0.000 9.769) 10.875 3.843 ( 0.801 0.000 4.662) 4.730 3.890 ( -3.409 0.000 12.869) 13.313 4.115 ( -2.988 0.000 2.329) 3.788 4.135 ( -4.450 0.000 1.967) 4.866 4.309 ( 8.625 0.000 8.441) 12.068 4.503 ( 9.214 0.000 -5.924) 10.954 4.640 ( 6.239 0.000 10.986) 12.634 4.677 ( 4.438 0.000 2.446) 5.068 4.866 ( 2.076 0.000 -9.789) 10.007 5.038 ( -8.712 0.000 15.830) 18.069 5.118 ( 5.988 0.000 18.468) 19.415 5.539 ( -14.833 0.000 8.326) 17.010 9.792 ( 1.302 0.000 -1.344) 1.871 9.869 ( -2.222 0.000 -2.559) 3.389 13.430 ( 0.450 0.000 -1.729) 1.787 13.432 ( 0.462 0.000 -1.464) 1.535 14.353 ( 1.009 0.000 5.329) 5.423 14.437 ( -3.458 0.000 5.276) 6.308 16.390 ( -0.947 0.000 -1.246) 1.565 16.422 ( -2.446 0.000 -0.762) 2.562 21.984 ( 1.401 0.000 -3.270) 3.557 22.023 ( -0.513 0.000 -3.923) 3.957 25.204 ( 0.016 0.000 1.932) 1.932 25.204 ( 0.003 0.000 1.963) 1.963 25.369 ( -0.026 0.000 -0.923) 0.923 25.384 ( -0.686 0.000 -0.685) 0.969 39.186 ( 3.592 0.000 -3.772) 5.209 39.305 ( -1.860 0.000 -5.300) 5.617 41.814 ( -0.020 0.000 -1.733) 1.733 41.820 ( -0.110 0.000 -1.805) 1.808 48.024 ( 0.493 0.000 -10.053) 10.065 48.076 ( -1.955 0.000 -10.323) 10.506 48.905 ( 6.773 0.000 -24.054) 24.990 48.944 ( 6.242 0.000 -27.994) 28.681======================= Grid point 184 (65/120) =======================q-point: (-0.50 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 2.301 ( -2.293 0.000 4.620) 5.158 2.301 ( 2.293 0.000 4.620) 5.158 2.917 ( -2.050 0.000 4.439) 4.890 2.917 ( 2.050 0.000 4.439) 4.890 3.070 ( -7.432 0.000 5.063) 8.993 3.070 ( 7.432 0.000 5.063) 8.993 3.392 ( -6.245 0.000 11.520) 13.104 3.392 ( 6.245 0.000 11.520) 13.104 3.485 ( -0.816 0.000 12.173) 12.200 3.485 ( 0.816 0.000 12.173) 12.200 3.638 ( -7.165 0.000 11.986) 13.964 3.638 ( 7.165 0.000 11.986) 13.964 3.821 ( -3.025 0.000 12.674) 13.030 3.821 ( 3.025 0.000 12.674) 13.030 3.830 ( -4.546 0.000 5.548) 7.172 3.830 ( 4.546 0.000 5.548) 7.172 4.069 ( -0.141 0.000 4.897) 4.899 4.069 ( 0.141 0.000 4.897) 4.899 4.482 ( -7.053 0.000 1.990) 7.328 4.482 ( 7.053 0.000 1.990) 7.328 4.812 ( -6.890 0.000 -7.964) 10.531 4.812 ( 6.890 0.000 -7.964) 10.531 4.845 ( -10.228 0.000 14.075) 17.398 4.845 ( 10.228 0.000 14.075) 17.398 5.279 ( -10.297 0.000 16.347) 19.320 5.279 ( 10.297 0.000 16.347) 19.320 9.826 ( -1.965 0.000 -1.745) 2.628 9.826 ( 1.965 0.000 -1.745) 2.628 13.436 ( -0.088 0.000 -1.720) 1.722 13.436 ( 0.088 0.000 -1.720) 1.722 14.382 ( -1.961 0.000 5.463) 5.804 14.382 ( 1.961 0.000 5.463) 5.804 16.388 ( -0.797 0.000 -1.098) 1.356 16.388 ( 0.797 0.000 -1.098) 1.356 22.008 ( -0.984 0.000 -3.612) 3.744 22.008 ( 0.984 0.000 -3.612) 3.744 25.204 ( -0.005 0.000 1.948) 1.948 25.204 ( 0.005 0.000 1.948) 1.948 25.373 ( -0.355 0.000 -0.813) 0.887 25.373 ( 0.355 0.000 -0.813) 0.887 39.254 ( -3.022 0.000 -4.393) 5.332 39.254 ( 3.022 0.000 -4.393) 5.332 41.817 ( -0.192 0.000 -1.789) 1.800 41.817 ( 0.192 0.000 -1.789) 1.800 48.042 ( -1.294 0.000 -10.409) 10.490 48.042 ( 1.294 0.000 -10.409) 10.490 48.992 ( -1.320 0.000 -27.019) 27.052 48.992 ( 1.320 0.000 -27.019) 27.052======================= Grid point 189 (66/120) =======================q-point: ( 0.00 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 0.000 8.047 19.598) 21.186 1.599 ( 0.000 15.908 16.414) 22.858 2.352 ( 0.000 -14.317 8.312) 16.555 2.747 ( 0.000 -12.656 4.721) 13.508 2.922 ( 0.000 11.348 1.663) 11.469 3.097 ( 0.000 1.699 11.206) 11.334 3.366 ( 0.000 -4.884 23.448) 23.951 3.391 ( 0.000 -4.563 1.518) 4.809 3.601 ( 0.000 -0.608 17.057) 17.068 3.624 ( 0.000 3.536 15.451) 15.851 3.668 ( 0.000 0.224 20.144) 20.146 3.768 ( 0.000 -0.177 15.896) 15.897 3.810 ( 0.000 -2.526 -3.542) 4.351 3.833 ( 0.000 2.693 14.873) 15.115 3.947 ( 0.000 9.613 8.498) 12.831 3.980 ( 0.000 -12.875 5.921) 14.171 4.060 ( 0.000 5.938 -0.281) 5.944 4.192 ( 0.000 -2.828 6.724) 7.294 4.194 ( 0.000 -1.632 1.736) 2.383 4.319 ( 0.000 4.020 -9.709) 10.508 4.453 ( 0.000 4.339 6.595) 7.894 4.543 ( 0.000 7.933 5.001) 9.378 4.596 ( 0.000 -0.702 6.084) 6.125 4.749 ( 0.000 -10.157 12.255) 15.917 5.471 ( 0.000 11.622 11.606) 16.425 6.165 ( 0.000 -8.345 -2.337) 8.666 9.794 ( 0.000 2.167 -2.406) 3.238 9.944 ( 0.000 -1.547 -4.244) 4.517 13.391 ( 0.000 -0.332 -0.191) 0.383 13.400 ( 0.000 -0.498 -1.218) 1.315 14.356 ( 0.000 2.442 4.910) 5.483 14.631 ( 0.000 -4.846 1.400) 5.044 16.494 ( 0.000 0.251 -0.541) 0.596 16.561 ( 0.000 -1.271 -1.346) 1.851 21.934 ( 0.000 1.651 -2.962) 3.391 22.023 ( 0.000 -0.754 -4.128) 4.196 25.203 ( 0.000 0.063 1.933) 1.934 25.204 ( 0.000 0.047 1.967) 1.967 25.392 ( 0.000 0.320 -0.821) 0.881 25.419 ( 0.000 -0.349 -0.972) 1.033 39.070 ( 0.000 4.027 -3.698) 5.467 39.290 ( 0.000 -1.815 -6.310) 6.566 41.818 ( 0.000 0.002 -1.768) 1.768 41.835 ( 0.000 -0.497 -1.759) 1.828 48.097 ( 0.000 0.729 -8.394) 8.425 48.247 ( 0.000 -2.583 -15.326) 15.543 48.252 ( 0.000 5.478 -11.669) 12.891 48.489 ( 0.000 -1.236 -14.859) 14.910======================= Grid point 190 (67/120) =======================q-point: ( 0.12 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( 9.950 5.675 16.911) 20.426 1.893 ( 21.469 11.101 12.692) 27.298 2.389 ( 2.855 -12.085 6.832) 14.173 2.770 ( 3.515 1.953 5.195) 6.570 2.954 ( 1.182 -4.405 5.204) 6.920 3.134 ( 3.099 1.968 7.400) 8.261 3.328 ( -2.041 -5.088 11.975) 13.170 3.417 ( 1.814 -2.886 11.556) 12.049 3.547 ( -4.206 0.021 14.489) 15.087 3.612 ( -1.282 0.221 15.843) 15.896 3.671 ( 0.129 0.632 18.989) 19.000 3.753 ( -1.803 0.958 3.966) 4.460 3.791 ( 0.830 0.536 12.686) 12.725 3.900 ( -4.047 7.358 6.460) 10.595 3.905 ( 1.696 -0.675 17.392) 17.487 3.955 ( 0.516 -6.173 6.042) 8.653 4.077 ( 0.474 -2.307 0.046) 2.356 4.145 ( -3.694 0.436 6.004) 7.063 4.215 ( 2.851 2.583 3.286) 5.060 4.378 ( 2.510 6.533 -5.868) 9.133 4.510 ( 6.020 -0.799 0.651) 6.108 4.530 ( -0.443 3.623 7.290) 8.153 4.601 ( 2.380 2.458 3.949) 5.225 4.813 ( 4.370 -9.046 11.633) 15.371 5.430 ( -3.910 11.054 12.246) 16.954 6.062 ( -9.679 -7.533 -0.718) 12.286 9.792 ( -0.134 2.105 -2.153) 3.014 9.933 ( -1.022 -1.390 -3.987) 4.344 13.398 ( 0.602 -0.358 -0.446) 0.830 13.405 ( 0.473 -0.406 -1.298) 1.440 14.354 ( -0.150 2.160 4.981) 5.431 14.589 ( -3.749 -3.983 2.535) 6.028 16.470 ( -2.088 0.184 -0.541) 2.165 16.534 ( -2.460 -1.208 -1.091) 2.950 21.941 ( 0.733 1.389 -2.970) 3.360 22.023 ( 0.031 -0.774 -4.132) 4.204 25.203 ( 0.018 0.046 1.936) 1.937 25.204 ( 0.007 0.041 1.962) 1.963 25.387 ( -0.430 0.371 -0.839) 1.013 25.413 ( -0.541 -0.262 -0.915) 1.095 39.089 ( 1.837 3.657 -3.703) 5.519 39.301 ( 0.812 -1.866 -6.409) 6.725 41.818 ( 0.055 -0.045 -1.772) 1.774 41.829 ( -0.543 -0.346 -1.696) 1.814 48.063 ( -1.958 1.472 -8.908) 9.238 48.167 ( -2.782 -0.286 -10.915) 11.268 48.460 ( 13.342 1.233 -18.789) 23.078 48.569 ( 7.052 -0.733 -16.785) 18.221======================= Grid point 191 (68/120) =======================q-point: ( 0.25 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 14.747 1.141 12.285) 19.228 2.256 ( 9.060 -3.843 5.157) 11.111 2.513 ( 12.142 5.259 7.884) 15.403 2.835 ( -0.367 2.641 3.692) 4.554 2.979 ( 3.180 -3.442 8.182) 9.429 3.150 ( -1.014 -9.194 5.494) 10.758 3.363 ( 5.494 0.925 11.356) 12.649 3.441 ( -2.267 2.249 12.033) 12.449 3.471 ( -1.372 -4.022 5.192) 6.709 3.577 ( -1.688 -2.996 16.626) 16.978 3.660 ( -2.135 1.565 18.113) 18.306 3.706 ( -1.210 2.891 12.018) 12.420 3.789 ( -4.955 3.507 2.114) 6.428 3.806 ( 0.056 -0.799 11.079) 11.108 3.927 ( -4.378 -1.303 11.830) 12.681 4.001 ( 3.911 1.570 13.659) 14.294 4.036 ( 0.501 -4.312 6.025) 7.425 4.107 ( -0.344 -1.410 5.079) 5.282 4.338 ( 9.183 5.691 -1.113) 10.860 4.381 ( -1.642 9.234 0.086) 9.379 4.537 ( 2.649 0.758 11.736) 12.055 4.647 ( 2.811 1.484 1.866) 3.686 4.713 ( 8.823 -2.280 -9.892) 13.450 4.887 ( 2.613 -9.364 14.303) 17.294 5.327 ( -5.580 9.872 14.048) 18.054 5.806 ( -14.475 -5.440 3.527) 15.861 9.792 ( 0.292 1.864 -1.690) 2.533 9.905 ( -1.671 -0.911 -3.325) 3.831 13.413 ( 0.753 -0.387 -1.082) 1.374 13.417 ( 0.647 -0.282 -1.414) 1.580 14.353 ( 0.058 1.476 5.151) 5.359 14.501 ( -4.298 -2.343 4.372) 6.563 16.422 ( -2.261 0.033 -0.757) 2.384 16.473 ( -3.188 -0.982 -0.732) 3.415 21.961 ( 1.172 0.812 -3.071) 3.386 22.023 ( -0.108 -0.745 -4.042) 4.111 25.204 ( 0.020 0.017 1.943) 1.943 25.204 ( 0.002 0.024 1.955) 1.955 25.378 ( -0.376 0.424 -0.929) 1.088 25.399 ( -0.750 -0.077 -0.809) 1.106 39.139 ( 2.883 2.723 -3.784) 5.482 39.311 ( -0.023 -1.670 -6.079) 6.304 41.818 ( -0.396 -0.105 -1.671) 1.721 41.819 ( 0.029 -0.119 -1.785) 1.789 48.037 ( -0.645 1.370 -9.608) 9.727 48.117 ( -2.263 -0.444 -10.363) 10.617 48.733 ( 11.045 -0.303 -22.271) 24.861 48.745 ( 10.627 -0.032 -22.956) 25.297======================= Grid point 192 (69/120) =======================q-point: ( 0.38 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 10.755 -0.815 7.734) 13.272 2.327 ( 0.802 -1.618 3.338) 3.796 2.741 ( 5.001 -0.555 7.209) 8.791 2.819 ( 3.398 -1.571 4.221) 5.641 3.022 ( 0.597 -2.315 5.931) 6.395 3.186 ( 3.203 -3.984 9.191) 10.517 3.342 ( -5.228 1.505 7.566) 9.318 3.433 ( -2.256 -3.493 10.138) 10.958 3.476 ( 3.180 -0.417 9.512) 10.038 3.530 ( -3.750 -1.317 14.730) 15.257 3.602 ( -1.940 3.024 12.527) 13.032 3.712 ( 1.450 1.776 8.274) 8.586 3.761 ( 0.678 -0.323 13.890) 13.910 3.808 ( -0.920 -3.411 4.140) 5.442 3.812 ( -2.655 2.014 12.727) 13.156 3.936 ( -3.439 3.929 11.061) 12.231 4.099 ( 0.548 2.679 6.299) 6.867 4.228 ( 6.671 1.117 0.647) 6.795 4.331 ( 0.216 6.102 5.584) 8.274 4.547 ( 7.815 4.053 -4.958) 10.104 4.625 ( 5.204 -1.343 11.392) 12.596 4.674 ( 2.281 -0.338 2.311) 3.265 4.835 ( 2.108 -3.428 -9.066) 9.919 4.904 ( -1.630 -8.687 15.250) 17.626 5.241 ( -1.548 7.665 17.195) 18.890 5.515 ( -13.160 -2.449 10.019) 16.720 9.806 ( 1.022 1.370 -1.510) 2.281 9.868 ( -1.842 -0.172 -2.508) 3.116 13.426 ( 0.498 -0.346 -1.585) 1.697 13.429 ( 0.398 -0.319 -1.566) 1.647 14.359 ( 0.652 0.686 5.336) 5.419 14.427 ( -2.945 -1.021 5.298) 6.147 16.388 ( -1.003 -0.122 -1.034) 1.446 16.415 ( -2.291 -0.637 -0.757) 2.496 21.986 ( 1.148 0.230 -3.286) 3.488 22.018 ( -0.400 -0.565 -3.820) 3.882 25.204 ( 0.017 0.003 1.947) 1.947 25.204 ( -0.005 0.010 1.951) 1.951 25.373 ( -0.065 0.378 -0.976) 1.049 25.385 ( -0.608 0.106 -0.794) 1.006 39.200 ( 2.983 1.501 -3.987) 5.201 39.296 ( -1.409 -0.926 -5.212) 5.478 41.814 ( -0.012 -0.007 -1.739) 1.739 41.819 ( -0.088 -0.121 -1.799) 1.805 48.033 ( 0.273 0.938 -10.289) 10.335 48.076 ( -1.744 -0.074 -10.524) 10.667 48.905 ( 6.660 -0.009 -24.187) 25.088 48.936 ( 6.222 -0.807 -27.363) 28.073======================= Grid point 193 (70/120) =======================q-point: (-0.50 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( -3.297 0.553 4.505) 5.610 2.305 ( 3.297 0.553 4.505) 5.610 2.827 ( -4.368 -8.243 4.767) 10.476 2.827 ( 4.368 -8.243 4.767) 10.476 3.105 ( -7.595 3.393 7.196) 10.999 3.105 ( 7.595 3.393 7.196) 10.999 3.371 ( -4.856 -2.430 12.224) 13.375 3.371 ( 4.856 -2.430 12.224) 13.375 3.476 ( -0.296 -0.347 12.055) 12.063 3.476 ( 0.296 -0.347 12.055) 12.063 3.650 ( -5.057 0.731 10.286) 11.485 3.650 ( 5.057 0.731 10.286) 11.485 3.777 ( -1.491 -3.479 5.199) 6.431 3.777 ( 1.491 -3.479 5.199) 6.431 3.872 ( -3.217 4.312 13.788) 14.801 3.872 ( 3.217 4.312 13.788) 14.801 4.164 ( -5.627 8.352 1.981) 10.264 4.164 ( 5.627 8.352 1.981) 10.264 4.490 ( -8.400 0.354 2.154) 8.679 4.490 ( 8.400 0.354 2.154) 8.679 4.774 ( -1.487 -3.413 1.813) 4.140 4.774 ( 1.487 -3.413 1.813) 4.140 4.814 ( -3.266 -3.115 4.557) 6.413 4.814 ( 3.266 -3.115 4.557) 6.413 5.301 ( -7.279 1.930 17.102) 18.687 5.301 ( 7.279 1.930 17.102) 18.687 9.833 ( -1.598 0.651 -1.818) 2.507 9.833 ( 1.598 0.651 -1.818) 2.507 13.432 ( -0.098 -0.344 -1.696) 1.733 13.432 ( 0.098 -0.344 -1.696) 1.733 14.381 ( -1.583 -0.098 5.457) 5.682 14.381 ( 1.583 -0.098 5.457) 5.682 16.385 ( -0.698 -0.327 -1.003) 1.265 16.385 ( 0.698 -0.327 -1.003) 1.265 22.006 ( -0.801 -0.234 -3.550) 3.647 22.006 ( 0.801 -0.234 -3.550) 3.647 25.204 ( -0.012 0.004 1.949) 1.949 25.204 ( 0.012 0.004 1.949) 1.949 25.376 ( -0.292 0.258 -0.894) 0.975 25.376 ( 0.292 0.258 -0.894) 0.975 39.256 ( -2.441 0.214 -4.427) 5.060 39.256 ( 2.441 0.214 -4.427) 5.060 41.816 ( -0.156 -0.050 -1.791) 1.799 41.816 ( 0.156 -0.050 -1.791) 1.799 48.047 ( -1.057 0.430 -10.614) 10.675 48.047 ( 1.057 0.430 -10.614) 10.675 48.988 ( -1.065 -0.466 -26.776) 26.801 48.988 ( 1.065 -0.466 -26.776) 26.801======================= Grid point 198 (71/120) =======================q-point: ( 0.00 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 0.000 12.733 15.897) 20.367 1.902 ( 0.000 7.703 10.883) 13.333 2.138 ( 0.000 -0.522 10.854) 10.866 2.434 ( 0.000 -20.424 5.862) 21.248 3.104 ( 0.000 7.281 3.109) 7.917 3.136 ( 0.000 2.054 10.694) 10.890 3.280 ( 0.000 -3.055 13.147) 13.498 3.308 ( 0.000 -4.577 2.799) 5.365 3.635 ( 0.000 3.902 22.797) 23.129 3.672 ( 0.000 1.609 18.709) 18.778 3.679 ( 0.000 0.609 20.795) 20.804 3.733 ( 0.000 -5.406 23.371) 23.989 3.772 ( 0.000 -1.185 -3.620) 3.809 3.788 ( 0.000 -4.175 -4.266) 5.969 3.907 ( 0.000 3.964 16.613) 17.079 3.987 ( 0.000 -3.788 14.043) 14.545 4.184 ( 0.000 4.251 -1.453) 4.493 4.198 ( 0.000 1.112 1.948) 2.243 4.229 ( 0.000 7.514 5.029) 9.042 4.349 ( 0.000 -2.309 -5.630) 6.085 4.515 ( 0.000 1.662 3.461) 3.840 4.565 ( 0.000 -6.036 13.831) 15.091 4.602 ( 0.000 2.130 5.758) 6.140 4.634 ( 0.000 0.018 1.294) 1.294 5.711 ( 0.000 13.975 6.021) 15.217 5.963 ( 0.000 -13.137 1.211) 13.193 9.845 ( 0.000 3.244 -2.899) 4.351 9.903 ( 0.000 -2.860 -3.611) 4.606 13.387 ( 0.000 -0.061 -0.356) 0.362 13.391 ( 0.000 -0.456 -0.778) 0.901 14.422 ( 0.000 4.765 4.580) 6.609 14.525 ( 0.000 -6.186 3.424) 7.071 16.506 ( 0.000 1.103 -0.680) 1.296 16.532 ( 0.000 -1.695 -1.029) 1.983 21.969 ( 0.000 2.033 -3.677) 4.201 22.002 ( 0.000 -1.510 -4.049) 4.321 25.204 ( 0.000 0.064 1.926) 1.927 25.205 ( 0.000 0.002 1.934) 1.934 25.400 ( 0.000 0.538 -0.871) 1.024 25.410 ( 0.000 -0.555 -0.931) 1.084 39.158 ( 0.000 5.040 -5.308) 7.319 39.239 ( 0.000 -3.726 -6.155) 7.195 41.819 ( 0.000 0.194 -1.690) 1.701 41.825 ( 0.000 -0.492 -1.664) 1.735 48.129 ( 0.000 2.727 -10.400) 10.751 48.188 ( 0.000 -3.508 -12.910) 13.378 48.360 ( 0.000 5.766 -13.831) 14.985 48.447 ( 0.000 -3.554 -15.024) 15.438======================= Grid point 199 (72/120) =======================q-point: ( 0.12 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 5.516 11.575 14.030) 19.007 1.995 ( 5.746 -6.906 10.067) 13.493 2.313 ( 16.458 10.061 9.037) 21.302 2.591 ( 13.475 -16.083 6.796) 22.055 3.012 ( -5.959 6.253 3.440) 9.297 3.115 ( -4.534 -4.368 5.112) 8.110 3.294 ( 3.267 2.019 10.556) 11.233 3.355 ( 3.078 -3.641 8.785) 9.995 3.577 ( -5.039 2.511 15.164) 16.175 3.610 ( -4.193 -0.732 13.003) 13.682 3.687 ( 0.959 1.405 22.828) 22.892 3.745 ( 1.506 -3.879 13.710) 14.327 3.785 ( -1.807 -0.707 6.342) 6.632 3.797 ( 1.959 -2.180 12.468) 12.808 3.941 ( 1.891 0.180 11.332) 11.490 3.951 ( -3.327 -0.339 12.958) 13.383 4.145 ( -3.641 5.405 1.436) 6.673 4.174 ( -2.492 1.657 4.536) 5.434 4.287 ( 5.543 5.104 1.612) 7.705 4.392 ( 5.120 -4.950 -4.110) 8.223 4.530 ( 1.341 2.692 4.618) 5.511 4.581 ( 2.302 0.240 3.938) 4.568 4.624 ( 1.807 1.098 8.808) 9.059 4.685 ( 3.563 -3.730 2.457) 5.713 5.651 ( -5.545 12.723 7.321) 15.692 5.879 ( -7.806 -11.842 2.765) 14.451 9.841 ( -0.332 3.098 -2.670) 4.103 9.896 ( -0.670 -2.654 -3.382) 4.351 13.393 ( 0.592 -0.053 -0.599) 0.844 13.397 ( 0.575 -0.424 -0.945) 1.184 14.412 ( -0.898 4.144 4.749) 6.366 14.500 ( -2.205 -5.233 3.928) 6.905 16.481 ( -2.214 1.041 -0.551) 2.508 16.506 ( -2.334 -1.643 -0.819) 2.970 21.972 ( 0.297 1.821 -3.567) 4.016 22.003 ( 0.061 -1.460 -3.966) 4.227 25.204 ( -0.004 0.055 1.935) 1.936 25.205 ( -0.006 -0.004 1.938) 1.938 25.396 ( -0.369 0.567 -0.908) 1.132 25.406 ( -0.405 -0.501 -0.946) 1.144 39.171 ( 1.202 4.764 -5.136) 7.108 39.250 ( 0.861 -3.691 -6.070) 7.156 41.818 ( -0.064 0.083 -1.700) 1.703 41.822 ( -0.283 -0.321 -1.657) 1.711 48.101 ( -1.949 2.528 -10.156) 10.646 48.146 ( -2.608 -2.093 -11.209) 11.697 48.498 ( 10.907 2.652 -17.805) 21.047 48.543 ( 8.345 -2.071 -17.411) 19.418======================= Grid point 200 (73/120) =======================q-point: ( 0.25 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 10.756 6.771 11.053) 16.844 2.122 ( 7.034 -9.366 8.001) 14.185 2.665 ( 14.083 9.925 7.549) 18.811 2.830 ( 0.841 -6.447 5.616) 8.591 2.931 ( 4.972 1.634 6.080) 8.022 3.006 ( -3.803 -6.025 3.239) 7.827 3.385 ( 4.582 1.717 9.821) 10.973 3.419 ( 1.972 -1.845 5.568) 6.188 3.479 ( -3.892 1.676 11.479) 12.236 3.520 ( -3.415 -2.889 13.261) 13.995 3.712 ( -0.049 3.902 22.834) 23.165 3.738 ( -0.819 0.900 10.762) 10.831 3.766 ( -1.254 -1.914 5.173) 5.657 3.799 ( -3.299 -3.695 11.599) 12.612 3.908 ( 0.211 1.401 14.740) 14.808 3.952 ( 1.590 -2.564 11.639) 12.024 4.085 ( -1.436 3.402 6.346) 7.342 4.113 ( -1.466 0.302 5.761) 5.952 4.443 ( 8.959 5.762 1.509) 10.759 4.521 ( 5.156 2.400 1.696) 5.934 4.547 ( 0.568 2.176 3.138) 3.861 4.655 ( 2.312 -4.663 -0.077) 5.205 4.669 ( 4.229 2.133 0.011) 4.737 4.743 ( 1.812 -5.574 7.245) 9.319 5.507 ( -7.907 9.642 10.966) 16.606 5.674 ( -11.421 -8.519 7.091) 15.915 9.835 ( -0.200 2.587 -2.213) 3.410 9.879 ( -0.952 -1.995 -2.851) 3.607 13.408 ( 0.748 -0.066 -1.117) 1.346 13.411 ( 0.697 -0.352 -1.287) 1.506 14.392 ( -0.984 2.734 5.089) 5.860 14.448 ( -2.608 -3.261 4.819) 6.377 16.429 ( -2.488 0.798 -0.525) 2.665 16.450 ( -2.845 -1.369 -0.594) 3.212 21.981 ( 0.552 1.263 -3.412) 3.679 22.004 ( 0.083 -1.224 -3.775) 3.969 25.204 ( -0.002 0.036 1.948) 1.949 25.205 ( -0.010 -0.012 1.947) 1.947 25.387 ( -0.407 0.542 -0.997) 1.206 25.396 ( -0.550 -0.331 -0.963) 1.157 39.201 ( 1.701 3.781 -4.773) 6.322 39.266 ( 0.625 -3.140 -5.615) 6.464 41.816 ( -0.204 -0.041 -1.689) 1.702 41.817 ( -0.048 -0.096 -1.737) 1.740 48.069 ( -1.137 1.942 -10.278) 10.521 48.100 ( -1.836 -1.391 -10.624) 10.871 48.733 ( 10.733 0.260 -22.149) 24.614 48.740 ( 10.295 -0.451 -22.364) 24.624======================= Grid point 201 (74/120) =======================q-point: ( 0.38 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.187 ( 9.882 3.098 7.520) 12.799 2.267 ( 6.375 -4.745 5.467) 9.646 2.722 ( -4.711 -0.010 5.219) 7.031 2.763 ( -3.650 -4.023 4.022) 6.759 3.039 ( 7.043 4.132 9.154) 12.267 3.122 ( 7.729 -4.070 11.511) 14.450 3.360 ( -5.277 1.036 9.022) 10.503 3.386 ( -3.236 -1.828 9.515) 10.215 3.478 ( 0.903 0.915 9.934) 10.017 3.504 ( -0.642 -1.521 11.670) 11.786 3.658 ( -2.499 2.916 10.104) 10.809 3.700 ( -2.586 -1.761 4.511) 5.490 3.746 ( -1.094 -0.971 12.687) 12.771 3.756 ( -2.065 -1.846 13.214) 13.501 3.901 ( 1.953 5.973 9.633) 11.501 3.974 ( -1.393 -1.017 8.529) 8.702 4.159 ( 6.029 2.912 6.726) 9.490 4.201 ( 11.706 -2.028 6.115) 13.362 4.489 ( -4.558 8.648 -0.319) 9.781 4.596 ( -0.151 -2.640 5.111) 5.755 4.626 ( 6.266 4.217 -3.580) 8.358 4.667 ( 1.872 -0.231 7.100) 7.346 4.753 ( 2.068 -4.430 -1.335) 5.068 4.765 ( 0.640 -5.842 6.842) 9.020 5.365 ( -5.156 5.846 15.853) 17.665 5.455 ( -9.222 -4.106 13.349) 16.736 9.835 ( 0.223 1.651 -1.906) 2.532 9.859 ( -0.879 -0.905 -2.297) 2.620 13.421 ( 0.471 -0.121 -1.522) 1.598 13.422 ( 0.399 -0.295 -1.561) 1.638 14.377 ( -0.339 1.259 5.347) 5.503 14.403 ( -1.703 -1.465 5.336) 5.789 16.389 ( -1.303 0.368 -0.747) 1.547 16.401 ( -1.838 -0.832 -0.700) 2.136 21.993 ( 0.557 0.554 -3.380) 3.470 22.005 ( -0.034 -0.759 -3.587) 3.666 25.204 ( 0.007 0.017 1.952) 1.952 25.204 ( -0.006 -0.009 1.951) 1.951 25.381 ( -0.199 0.388 -1.046) 1.134 25.385 ( -0.411 -0.092 -0.983) 1.070 39.235 ( 1.494 2.117 -4.470) 5.167 39.271 ( -0.172 -1.764 -4.931) 5.240 41.814 ( -0.010 0.057 -1.757) 1.758 41.816 ( -0.041 -0.135 -1.781) 1.787 48.054 ( -0.343 1.140 -10.716) 10.782 48.070 ( -1.137 -0.600 -10.816) 10.892 48.908 ( 6.416 0.384 -24.763) 25.584 48.920 ( 6.243 -0.894 -25.968) 26.723======================= Grid point 202 (75/120) =======================q-point: (-0.50 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( -2.331 0.930 4.038) 4.754 2.321 ( 2.331 0.930 4.038) 4.754 2.688 ( -2.094 -5.107 6.586) 8.594 2.688 ( 2.094 -5.107 6.586) 8.594 3.174 ( -4.853 3.335 8.857) 10.636 3.174 ( 4.853 3.335 8.857) 10.636 3.312 ( -3.241 -3.084 13.513) 14.235 3.312 ( 3.241 -3.084 13.513) 14.235 3.480 ( -0.690 0.461 9.742) 9.777 3.480 ( 0.690 0.461 9.742) 9.777 3.655 ( -1.766 0.025 8.721) 8.898 3.655 ( 1.766 0.025 8.721) 8.898 3.729 ( -0.202 -1.565 9.004) 9.142 3.729 ( 0.202 -1.565 9.004) 9.142 3.945 ( -1.636 2.638 11.134) 11.559 3.945 ( 1.636 2.638 11.134) 11.559 4.320 ( -7.157 7.456 -2.918) 10.739 4.320 ( 7.157 7.456 -2.918) 10.739 4.468 ( -8.678 -3.059 3.298) 9.775 4.468 ( 8.678 -3.059 3.298) 9.775 4.722 ( -0.816 -1.565 11.550) 11.684 4.722 ( 0.816 -1.565 11.550) 11.684 4.755 ( -1.165 -2.377 -3.352) 4.271 4.755 ( 1.165 -2.377 -3.352) 4.271 5.331 ( -2.339 1.028 17.876) 18.058 5.331 ( 2.339 1.028 17.876) 18.058 9.844 ( -0.616 0.405 -1.937) 2.073 9.844 ( 0.616 0.405 -1.937) 2.073 13.426 ( -0.050 -0.215 -1.657) 1.671 13.426 ( 0.050 -0.215 -1.657) 1.671 14.380 ( -0.603 -0.061 5.447) 5.480 14.380 ( 0.603 -0.061 5.447) 5.480 16.379 ( -0.296 -0.201 -0.852) 0.925 16.379 ( 0.296 -0.201 -0.852) 0.925 22.002 ( -0.309 -0.144 -3.452) 3.468 22.002 ( 0.309 -0.144 -3.452) 3.468 25.204 ( -0.007 0.003 1.951) 1.951 25.204 ( 0.007 0.003 1.951) 1.951 25.380 ( -0.115 0.159 -1.023) 1.041 25.380 ( 0.115 0.159 -1.023) 1.041 39.260 ( -0.930 0.132 -4.483) 4.580 39.260 ( 0.930 0.132 -4.483) 4.580 41.815 ( -0.060 -0.031 -1.795) 1.796 41.815 ( 0.060 -0.031 -1.795) 1.796 48.054 ( -0.410 0.270 -10.951) 10.962 48.054 ( 0.410 0.270 -10.951) 10.962 48.980 ( -0.405 -0.292 -26.375) 26.380 48.980 ( 0.405 -0.292 -26.375) 26.380======================= Grid point 225 (76/120) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 0.000 0.000 20.038) 20.038 1.876 ( 0.000 0.000 20.023) 20.023 2.685 ( 0.000 0.000 7.941) 7.941 2.787 ( 0.000 0.000 1.093) 1.093 2.905 ( 0.000 0.000 0.627) 0.627 3.204 ( 0.000 0.000 2.485) 2.485 3.433 ( 0.000 0.000 -1.352) 1.352 3.591 ( 0.000 0.000 -10.965) 10.965 3.681 ( 0.000 0.000 -1.669) 1.669 3.707 ( 0.000 0.000 0.327) 0.327 3.754 ( 0.000 0.000 -3.402) 3.402 3.955 ( 0.000 0.000 -9.179) 9.179 3.959 ( 0.000 0.000 1.451) 1.451 4.029 ( 0.000 0.000 -7.295) 7.295 4.114 ( 0.000 0.000 8.543) 8.543 4.123 ( 0.000 0.000 30.428) 30.428 4.157 ( 0.000 0.000 18.768) 18.768 4.163 ( 0.000 0.000 10.237) 10.237 4.369 ( 0.000 0.000 10.442) 10.442 4.494 ( 0.000 0.000 18.849) 18.849 4.618 ( 0.000 0.000 11.471) 11.471 4.623 ( 0.000 0.000 12.629) 12.629 4.820 ( 0.000 0.000 12.869) 12.869 5.061 ( 0.000 0.000 8.435) 8.435 5.599 ( 0.000 0.000 10.441) 10.441 6.140 ( 0.000 0.000 -7.222) 7.222 9.732 ( 0.000 0.000 -1.975) 1.975 9.876 ( 0.000 0.000 -3.823) 3.823 13.380 ( 0.000 0.000 -1.178) 1.178 13.392 ( 0.000 0.000 -0.138) 0.138 14.417 ( 0.000 0.000 3.571) 3.571 14.684 ( 0.000 0.000 0.252) 0.252 16.482 ( 0.000 0.000 -0.513) 0.513 16.547 ( 0.000 0.000 -1.262) 1.262 21.872 ( 0.000 0.000 -2.092) 2.092 21.957 ( 0.000 0.000 -3.331) 3.331 25.237 ( 0.000 0.000 1.586) 1.586 25.240 ( 0.000 0.000 1.655) 1.655 25.374 ( 0.000 0.000 -0.696) 0.696 25.404 ( 0.000 0.000 -0.854) 0.854 38.981 ( 0.000 0.000 -2.261) 2.261 39.197 ( 0.000 0.000 -4.821) 4.821 41.785 ( 0.000 0.000 -1.522) 1.522 41.807 ( 0.000 0.000 -1.561) 1.561 47.960 ( 0.000 0.000 -6.384) 6.384 47.977 ( 0.000 0.000 -13.592) 13.592 47.998 ( 0.000 0.000 -9.069) 9.069 48.242 ( 0.000 0.000 -11.681) 11.681======================= Grid point 226 (77/120) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 8.640 0.000 17.985) 19.953 2.077 ( 16.664 0.000 15.519) 22.772 2.648 ( -6.390 0.000 3.285) 7.185 2.759 ( 6.674 0.000 6.799) 9.528 3.116 ( 13.217 0.000 -0.308) 13.220 3.166 ( -3.610 0.000 2.390) 4.330 3.411 ( -2.118 0.000 -2.015) 2.923 3.578 ( -6.994 0.000 -3.193) 7.689 3.585 ( -0.568 0.000 -8.941) 8.959 3.684 ( -2.576 0.000 0.226) 2.586 3.780 ( 0.343 0.000 -2.044) 2.073 3.951 ( -2.497 0.000 2.762) 3.723 4.010 ( -0.954 0.000 13.713) 13.746 4.013 ( 1.489 0.000 -6.828) 6.988 4.071 ( 4.398 0.000 -6.366) 7.738 4.072 ( -2.430 0.000 5.204) 5.744 4.210 ( 3.337 0.000 19.983) 20.260 4.252 ( 4.422 0.000 22.588) 23.017 4.378 ( 0.124 0.000 11.299) 11.300 4.470 ( -1.970 0.000 19.687) 19.785 4.634 ( 1.143 0.000 11.276) 11.334 4.648 ( 2.714 0.000 9.629) 10.004 4.785 ( -1.798 0.000 12.440) 12.570 5.141 ( 6.480 0.000 9.877) 11.813 5.563 ( -3.535 0.000 10.525) 11.103 6.064 ( -7.005 0.000 -5.310) 8.790 9.735 ( 0.319 0.000 -1.778) 1.807 9.869 ( -0.687 0.000 -3.579) 3.645 13.383 ( 0.255 0.000 -1.240) 1.266 13.395 ( 0.276 0.000 -0.318) 0.421 14.419 ( 0.186 0.000 3.622) 3.627 14.654 ( -2.675 0.000 1.037) 2.869 16.458 ( -2.150 0.000 -0.540) 2.217 16.523 ( -2.189 0.000 -1.112) 2.455 21.880 ( 0.794 0.000 -2.181) 2.321 21.957 ( 0.047 0.000 -3.320) 3.320 25.237 ( 0.027 0.000 1.582) 1.582 25.240 ( 0.002 0.000 1.649) 1.649 25.369 ( -0.488 0.000 -0.694) 0.849 25.399 ( -0.501 0.000 -0.808) 0.951 39.001 ( 1.941 0.000 -2.377) 3.069 39.207 ( 0.784 0.000 -4.849) 4.912 41.786 ( 0.085 0.000 -1.528) 1.530 41.801 ( -0.537 0.000 -1.479) 1.573 47.889 ( -2.562 0.000 -8.098) 8.494 47.980 ( -1.659 0.000 -8.702) 8.858 48.118 ( 8.968 0.000 -14.235) 16.825 48.283 ( 3.773 0.000 -13.279) 13.805======================= Grid point 227 (78/120) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 11.056 0.000 13.060) 17.111 2.371 ( 6.850 0.000 4.550) 8.224 2.626 ( 7.477 0.000 8.729) 11.493 2.904 ( 5.108 0.000 5.390) 7.426 3.084 ( -2.405 0.000 1.971) 3.109 3.361 ( -2.131 0.000 -2.471) 3.263 3.362 ( 8.326 0.000 0.425) 8.336 3.436 ( -4.636 0.000 -3.230) 5.651 3.569 ( -0.994 0.000 -5.605) 5.692 3.613 ( -4.378 0.000 -1.684) 4.691 3.750 ( -3.128 0.000 -1.562) 3.497 3.888 ( -3.281 0.000 -2.740) 4.275 3.963 ( -1.361 0.000 16.245) 16.301 4.028 ( -1.025 0.000 10.916) 10.964 4.061 ( 0.910 0.000 -5.832) 5.902 4.189 ( 2.692 0.000 -6.215) 6.773 4.310 ( 7.019 0.000 18.159) 19.468 4.318 ( 1.163 0.000 19.609) 19.643 4.357 ( -1.597 0.000 12.168) 12.272 4.459 ( 2.838 0.000 21.166) 21.356 4.673 ( 2.707 0.000 5.978) 6.562 4.702 ( 1.855 0.000 6.707) 6.958 4.797 ( 3.461 0.000 12.353) 12.829 5.287 ( 7.514 0.000 12.203) 14.331 5.456 ( -6.907 0.000 10.240) 12.352 5.886 ( -9.540 0.000 0.282) 9.544 9.746 ( 0.796 0.000 -1.405) 1.614 9.850 ( -1.179 0.000 -2.948) 3.175 13.390 ( 0.400 0.000 -1.375) 1.432 13.401 ( 0.312 0.000 -0.754) 0.816 14.426 ( 0.552 0.000 3.739) 3.779 14.588 ( -3.503 0.000 2.516) 4.313 16.407 ( -2.492 0.000 -0.705) 2.590 16.466 ( -3.144 0.000 -0.883) 3.265 21.901 ( 1.195 0.000 -2.403) 2.684 21.958 ( -0.035 0.000 -3.259) 3.259 25.238 ( 0.034 0.000 1.576) 1.577 25.240 ( -0.005 0.000 1.634) 1.634 25.358 ( -0.457 0.000 -0.733) 0.864 25.385 ( -0.765 0.000 -0.738) 1.063 39.054 ( 3.074 0.000 -2.648) 4.058 39.220 ( 0.289 0.000 -4.645) 4.654 41.788 ( 0.044 0.000 -1.539) 1.540 41.789 ( -0.477 0.000 -1.387) 1.467 47.853 ( -1.101 0.000 -8.127) 8.201 47.937 ( -2.384 0.000 -8.462) 8.791 48.309 ( 9.042 0.000 -18.836) 20.894 48.379 ( 5.201 0.000 -16.553) 17.351======================= Grid point 228 (79/120) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( 6.586 0.000 7.768) 10.184 2.399 ( -0.334 0.000 3.280) 3.297 2.855 ( 10.463 0.000 5.514) 11.827 2.921 ( 0.421 0.000 4.309) 4.330 3.119 ( 2.426 0.000 1.998) 3.142 3.272 ( -7.321 0.000 -0.265) 7.326 3.355 ( 2.131 0.000 -2.824) 3.538 3.511 ( -5.139 0.000 -3.337) 6.127 3.551 ( -0.546 0.000 -2.724) 2.778 3.561 ( 6.257 0.000 -1.092) 6.352 3.675 ( -3.108 0.000 -0.844) 3.220 3.813 ( -4.101 0.000 -5.195) 6.619 3.961 ( 0.984 0.000 13.037) 13.074 4.028 ( 0.284 0.000 11.731) 11.735 4.045 ( -1.123 0.000 3.694) 3.861 4.167 ( -3.673 0.000 3.989) 5.423 4.305 ( -1.089 0.000 17.970) 18.003 4.310 ( -1.662 0.000 13.811) 13.911 4.503 ( 9.420 0.000 9.328) 13.258 4.556 ( 4.613 0.000 16.851) 17.471 4.717 ( -0.162 0.000 6.303) 6.306 4.731 ( 2.041 0.000 -0.274) 2.060 4.913 ( 7.445 0.000 11.124) 13.386 5.286 ( -9.509 0.000 9.427) 13.390 5.436 ( 6.914 0.000 13.708) 15.353 5.708 ( -7.652 0.000 7.747) 10.889 9.767 ( 1.218 0.000 -1.252) 1.747 9.823 ( -1.409 0.000 -2.170) 2.587 13.398 ( 0.389 0.000 -1.477) 1.527 13.406 ( 0.089 0.000 -1.196) 1.200 14.443 ( 1.129 0.000 3.848) 4.010 14.522 ( -2.868 0.000 3.509) 4.532 16.369 ( -1.065 0.000 -0.926) 1.411 16.405 ( -2.600 0.000 -0.863) 2.740 21.925 ( 1.106 0.000 -2.671) 2.891 21.954 ( -0.304 0.000 -3.123) 3.138 25.238 ( 0.028 0.000 1.581) 1.581 25.239 ( -0.015 0.000 1.615) 1.615 25.353 ( -0.027 0.000 -0.791) 0.791 25.370 ( -0.735 0.000 -0.737) 1.041 39.119 ( 3.162 0.000 -2.988) 4.350 39.213 ( -1.069 0.000 -4.073) 4.211 41.783 ( -0.091 0.000 -1.414) 1.417 41.787 ( -0.097 0.000 -1.534) 1.537 47.842 ( 0.029 0.000 -8.500) 8.500 47.890 ( -2.156 0.000 -8.604) 8.870 48.459 ( 5.224 0.000 -21.626) 22.248 48.475 ( 3.718 0.000 -19.748) 20.095======================= Grid point 229 (80/120) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 2.395 ( -0.510 0.000 4.898) 4.925 2.395 ( 0.510 0.000 4.898) 4.925 2.969 ( -0.741 0.000 2.035) 2.166 2.969 ( 0.741 0.000 2.035) 2.166 3.146 ( -2.914 0.000 2.961) 4.154 3.146 ( 2.914 0.000 2.961) 4.154 3.425 ( -3.642 0.000 -4.055) 5.451 3.425 ( 3.642 0.000 -4.055) 5.451 3.566 ( -2.376 0.000 -0.668) 2.468 3.566 ( 2.376 0.000 -0.668) 2.468 3.720 ( -5.034 0.000 -2.987) 5.854 3.720 ( 5.034 0.000 -2.987) 5.854 3.994 ( -1.988 0.000 9.672) 9.874 3.994 ( 1.988 0.000 9.672) 9.875 4.084 ( -3.608 0.000 7.968) 8.747 4.084 ( 3.608 0.000 7.968) 8.747 4.293 ( -0.040 0.000 16.078) 16.078 4.293 ( 0.040 0.000 16.078) 16.078 4.615 ( -0.008 0.000 11.326) 11.326 4.615 ( 0.008 0.000 11.327) 11.327 4.726 ( -1.828 0.000 1.953) 2.675 4.726 ( 1.828 0.000 1.953) 2.675 5.088 ( -9.535 0.000 9.842) 13.703 5.088 ( 9.535 0.000 9.842) 13.703 5.569 ( -6.377 0.000 12.628) 14.147 5.569 ( 6.377 0.000 12.628) 14.147 9.794 ( -1.416 0.000 -1.528) 2.083 9.794 ( 1.416 0.000 -1.528) 2.083 13.404 ( -0.208 0.000 -1.445) 1.460 13.404 ( 0.208 0.000 -1.445) 1.460 14.473 ( -1.912 0.000 3.848) 4.297 14.473 ( 1.912 0.000 3.848) 4.297 16.368 ( -0.977 0.000 -0.967) 1.375 16.368 ( 0.977 0.000 -0.967) 1.375 21.944 ( -0.719 0.000 -2.921) 3.008 21.944 ( 0.719 0.000 -2.921) 3.008 25.239 ( -0.022 0.000 1.595) 1.595 25.239 ( 0.022 0.000 1.595) 1.595 25.357 ( -0.444 0.000 -0.786) 0.902 25.357 ( 0.444 0.000 -0.786) 0.902 39.177 ( -2.392 0.000 -3.450) 4.198 39.177 ( 2.392 0.000 -3.450) 4.198 41.784 ( -0.141 0.000 -1.489) 1.496 41.784 ( 0.141 0.000 -1.489) 1.496 47.854 ( -1.216 0.000 -8.701) 8.785 47.854 ( 1.216 0.000 -8.701) 8.785 48.514 ( -0.196 0.000 -21.743) 21.744 48.514 ( 0.196 0.000 -21.743) 21.744======================= Grid point 234 (81/120) =======================q-point: ( 0.00 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 0.000 5.369 18.856) 19.606 1.930 ( 0.000 9.778 17.399) 19.958 2.522 ( 0.000 -10.769 8.967) 14.013 2.805 ( 0.000 -10.539 2.204) 10.767 2.951 ( 0.000 10.942 1.551) 11.051 3.226 ( 0.000 2.173 3.023) 3.723 3.388 ( 0.000 -3.820 -0.322) 3.834 3.473 ( 0.000 -7.144 -4.171) 8.273 3.675 ( 0.000 -1.922 -5.546) 5.870 3.719 ( 0.000 -3.375 -3.375) 4.773 3.861 ( 0.000 10.122 -8.264) 13.067 3.927 ( 0.000 -0.084 -6.089) 6.090 3.968 ( 0.000 1.125 4.004) 4.159 4.074 ( 0.000 2.125 -0.529) 2.190 4.136 ( 0.000 1.934 15.002) 15.126 4.142 ( 0.000 2.279 19.748) 19.879 4.158 ( 0.000 1.211 5.993) 6.115 4.199 ( 0.000 2.784 15.703) 15.948 4.343 ( 0.000 -2.473 12.128) 12.377 4.387 ( 0.000 -6.993 17.696) 19.028 4.647 ( 0.000 2.443 12.023) 12.269 4.719 ( 0.000 6.127 12.126) 13.586 4.823 ( 0.000 0.307 13.570) 13.574 4.985 ( 0.000 -7.147 10.415) 12.632 5.664 ( 0.000 6.259 7.701) 9.924 6.087 ( 0.000 -5.515 -5.911) 8.085 9.749 ( 0.000 1.823 -2.127) 2.802 9.866 ( 0.000 -1.088 -3.630) 3.790 13.378 ( 0.000 -0.150 -1.019) 1.030 13.388 ( 0.000 -0.392 -0.162) 0.424 14.438 ( 0.000 2.235 3.463) 4.122 14.652 ( 0.000 -3.236 0.856) 3.347 16.483 ( 0.000 0.247 -0.503) 0.560 16.537 ( 0.000 -1.020 -1.143) 1.532 21.882 ( 0.000 1.072 -2.309) 2.546 21.950 ( 0.000 -0.680 -3.280) 3.350 25.237 ( 0.000 0.059 1.585) 1.586 25.240 ( 0.000 0.009 1.637) 1.637 25.377 ( 0.000 0.284 -0.712) 0.766 25.401 ( 0.000 -0.320 -0.841) 0.900 39.007 ( 0.000 2.722 -2.755) 3.873 39.182 ( 0.000 -1.724 -4.762) 5.065 41.786 ( 0.000 0.074 -1.487) 1.488 41.803 ( 0.000 -0.376 -1.505) 1.552 47.938 ( 0.000 -0.933 -7.699) 7.755 47.968 ( 0.000 -0.846 -12.935) 12.963 48.049 ( 0.000 4.058 -8.964) 9.839 48.230 ( 0.000 -1.368 -11.614) 11.694======================= Grid point 235 (82/120) =======================q-point: ( 0.12 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 6.644 3.805 17.252) 18.874 2.147 ( 14.273 6.222 13.065) 20.326 2.535 ( 2.124 -7.128 8.154) 11.037 2.856 ( 4.168 3.444 4.276) 6.894 3.006 ( 4.403 -6.266 1.287) 7.765 3.214 ( -1.262 1.455 1.695) 2.565 3.359 ( -1.230 -3.423 -1.585) 3.968 3.487 ( 0.774 -4.492 -1.959) 4.961 3.603 ( -5.232 0.493 -4.651) 7.018 3.721 ( -0.944 -4.397 -2.835) 5.316 3.838 ( -2.479 9.270 -6.816) 11.770 3.940 ( 0.280 -0.121 -0.928) 0.977 4.009 ( 1.131 -0.397 8.472) 8.556 4.034 ( -1.750 1.616 3.193) 3.984 4.059 ( -2.562 2.267 5.105) 6.145 4.142 ( 1.051 2.888 -5.036) 5.899 4.207 ( 3.008 0.589 19.788) 20.023 4.275 ( 4.365 1.856 20.680) 21.217 4.364 ( 1.793 -1.348 10.605) 10.840 4.395 ( 0.893 -5.248 18.408) 19.162 4.655 ( 0.746 2.272 11.271) 11.521 4.730 ( 1.090 5.838 11.194) 12.672 4.782 ( -2.193 -0.359 12.764) 12.956 5.059 ( 5.525 -7.462 11.460) 14.749 5.633 ( -2.857 6.492 8.142) 10.798 6.018 ( -6.312 -4.757 -4.020) 8.867 9.752 ( 0.247 1.745 -1.935) 2.617 9.860 ( -0.568 -0.961 -3.401) 3.579 13.381 ( 0.255 -0.148 -1.091) 1.130 13.391 ( 0.281 -0.387 -0.353) 0.595 14.437 ( -0.016 2.001 3.535) 4.062 14.627 ( -2.309 -2.822 1.499) 3.942 16.460 ( -2.138 0.266 -0.505) 2.213 16.513 ( -2.157 -0.997 -1.011) 2.582 21.889 ( 0.658 0.926 -2.358) 2.617 21.951 ( 0.068 -0.655 -3.258) 3.324 25.238 ( 0.019 0.050 1.583) 1.584 25.240 ( -0.000 0.007 1.633) 1.633 25.372 ( -0.461 0.318 -0.717) 0.910 25.396 ( -0.468 -0.288 -0.814) 0.982 39.026 ( 1.755 2.531 -2.811) 4.170 39.192 ( 0.836 -1.678 -4.765) 5.121 41.786 ( 0.044 0.022 -1.493) 1.494 41.798 ( -0.455 -0.279 -1.445) 1.540 47.894 ( -2.192 0.631 -8.354) 8.660 47.967 ( -1.289 -1.277 -9.475) 9.648 48.143 ( 7.819 2.424 -13.531) 15.815 48.274 ( 3.995 -1.072 -13.302) 13.930======================= Grid point 236 (83/120) =======================q-point: ( 0.25 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( 10.054 0.765 13.041) 16.485 2.354 ( 4.492 -2.381 4.959) 7.102 2.673 ( 11.106 5.035 8.616) 14.931 2.914 ( 0.116 0.619 4.380) 4.425 3.069 ( 1.138 -1.613 2.649) 3.304 3.204 ( 1.917 -9.606 1.030) 9.850 3.394 ( 4.291 -0.052 -3.280) 5.401 3.480 ( -4.708 0.566 -2.372) 5.302 3.510 ( -0.142 0.176 -1.226) 1.247 3.678 ( -3.270 -5.030 -2.194) 6.388 3.751 ( -5.690 8.069 -5.406) 11.256 3.918 ( -2.391 0.438 2.403) 3.418 3.974 ( -1.614 2.135 9.416) 9.789 4.017 ( -0.204 -1.049 7.715) 7.788 4.064 ( 0.686 0.630 0.289) 0.975 4.152 ( -0.887 -2.893 1.449) 3.355 4.291 ( 3.142 0.828 15.234) 15.577 4.366 ( 5.299 2.729 15.477) 16.585 4.391 ( -0.036 0.452 12.037) 12.046 4.456 ( 6.509 1.233 14.480) 15.923 4.674 ( 1.290 0.423 8.239) 8.350 4.738 ( -0.140 2.500 8.426) 8.790 4.798 ( 3.603 0.876 12.160) 12.713 5.163 ( 3.746 -9.583 12.347) 16.072 5.561 ( -3.527 7.608 9.388) 12.588 5.860 ( -8.410 -2.774 1.441) 8.972 9.760 ( 0.643 1.496 -1.560) 2.255 9.845 ( -0.958 -0.594 -2.818) 3.035 13.388 ( 0.388 -0.155 -1.267) 1.334 13.397 ( 0.317 -0.379 -0.783) 0.926 14.439 ( 0.235 1.409 3.695) 3.962 14.570 ( -3.028 -1.896 2.725) 4.494 16.409 ( -2.512 0.261 -0.628) 2.602 16.458 ( -3.044 -0.871 -0.823) 3.271 21.907 ( 1.004 0.578 -2.495) 2.751 21.952 ( 0.018 -0.566 -3.183) 3.233 25.238 ( 0.024 0.031 1.583) 1.583 25.240 ( -0.007 0.002 1.623) 1.623 25.361 ( -0.455 0.351 -0.766) 0.958 25.384 ( -0.704 -0.194 -0.777) 1.066 39.073 ( 2.733 1.978 -2.946) 4.479 39.207 ( 0.494 -1.404 -4.543) 4.780 41.787 ( 0.012 -0.069 -1.511) 1.512 41.788 ( -0.406 -0.104 -1.384) 1.446 47.861 ( -1.143 0.847 -8.326) 8.446 47.929 ( -2.171 -0.854 -8.697) 9.004 48.318 ( 8.489 0.874 -18.411) 20.293 48.374 ( 5.407 -0.539 -16.669) 17.532======================= Grid point 237 (84/120) =======================q-point: ( 0.38 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( 6.612 -0.457 8.039) 10.419 2.396 ( 0.810 -0.565 3.618) 3.750 2.866 ( 5.008 -0.408 5.902) 7.751 2.888 ( 0.818 -2.752 3.534) 4.554 3.102 ( 2.561 -0.597 3.288) 4.210 3.257 ( -0.034 -0.245 0.643) 0.689 3.389 ( -1.157 2.114 -2.614) 3.555 3.462 ( 1.025 -2.441 -2.385) 3.563 3.525 ( -0.547 -1.185 -2.825) 3.112 3.596 ( -4.005 -5.488 -2.085) 7.107 3.666 ( -0.502 6.098 -1.775) 6.371 3.843 ( -4.928 0.571 -1.315) 5.133 3.970 ( 1.421 1.700 8.393) 8.681 4.028 ( 1.013 -0.158 12.532) 12.574 4.059 ( -1.082 1.041 5.799) 5.990 4.127 ( -1.502 -3.101 3.958) 5.247 4.309 ( -0.142 1.376 15.694) 15.755 4.350 ( -2.448 2.617 11.263) 11.819 4.521 ( 7.251 1.024 12.169) 14.203 4.589 ( 5.440 3.365 11.397) 13.069 4.706 ( 0.563 -1.557 3.608) 3.969 4.739 ( 0.674 1.186 6.148) 6.298 4.900 ( 6.203 -0.904 11.030) 12.687 5.168 ( -3.789 -8.953 10.631) 14.406 5.531 ( 1.261 6.590 12.265) 13.980 5.705 ( -6.443 -0.373 8.442) 10.627 9.777 ( 0.996 1.079 -1.374) 2.010 9.823 ( -1.134 -0.053 -2.122) 2.407 13.396 ( 0.354 -0.206 -1.414) 1.472 13.402 ( 0.107 -0.354 -1.197) 1.252 14.449 ( 0.781 0.673 3.835) 3.971 14.513 ( -2.446 -0.936 3.565) 4.424 16.369 ( -1.165 0.121 -0.843) 1.443 16.400 ( -2.434 -0.579 -0.827) 2.635 21.927 ( 0.932 0.189 -2.686) 2.849 21.951 ( -0.210 -0.395 -3.053) 3.086 25.239 ( 0.022 0.015 1.587) 1.587 25.239 ( -0.015 0.002 1.609) 1.609 25.356 ( -0.078 0.293 -0.831) 0.885 25.369 ( -0.653 -0.043 -0.792) 1.027 39.130 ( 2.720 1.136 -3.140) 4.307 39.206 ( -0.697 -0.764 -4.013) 4.144 41.783 ( -0.081 -0.020 -1.420) 1.422 41.786 ( -0.088 -0.096 -1.518) 1.524 47.847 ( -0.147 0.577 -8.640) 8.660 47.886 ( -1.922 -0.381 -8.744) 8.961 48.460 ( 5.015 0.097 -21.295) 21.878 48.473 ( 3.791 -0.212 -19.807) 20.167======================= Grid point 238 (85/120) =======================q-point: (-0.50 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( -1.141 0.173 4.700) 4.840 2.396 ( 1.141 0.173 4.700) 4.840 2.913 ( -1.893 -5.287 4.478) 7.183 2.913 ( 1.893 -5.288 4.478) 7.183 3.177 ( -4.845 3.195 1.598) 6.020 3.177 ( 4.845 3.195 1.598) 6.020 3.434 ( -2.916 0.816 -3.378) 4.537 3.434 ( 2.916 0.816 -3.378) 4.537 3.528 ( -2.283 -3.506 -1.673) 4.506 3.528 ( 2.283 -3.506 -1.673) 4.506 3.733 ( -5.319 1.014 -1.010) 5.508 3.733 ( 5.319 1.014 -1.010) 5.508 4.013 ( -2.045 1.574 10.252) 10.571 4.013 ( 2.045 1.574 10.252) 10.572 4.080 ( -2.653 -0.354 6.182) 6.737 4.080 ( 2.653 -0.354 6.183) 6.737 4.313 ( -0.922 2.204 13.471) 13.681 4.313 ( 0.922 2.204 13.471) 13.681 4.625 ( -2.796 0.174 10.028) 10.412 4.625 ( 2.796 0.174 10.028) 10.412 4.729 ( -2.342 0.913 4.582) 5.226 4.729 ( 2.342 0.913 4.582) 5.226 5.042 ( -7.369 -4.280 9.935) 13.089 5.042 ( 7.369 -4.280 9.935) 13.089 5.596 ( -4.453 2.392 12.686) 13.656 5.596 ( 4.453 2.392 12.686) 13.656 9.799 ( -1.148 0.540 -1.575) 2.023 9.799 ( 1.148 0.540 -1.575) 2.023 13.401 ( -0.171 -0.290 -1.414) 1.454 13.401 ( 0.171 -0.290 -1.414) 1.454 14.472 ( -1.545 -0.097 3.853) 4.152 14.472 ( 1.545 -0.097 3.853) 4.152 16.366 ( -0.808 -0.194 -0.915) 1.236 16.366 ( 0.808 -0.194 -0.915) 1.236 21.943 ( -0.584 -0.142 -2.882) 2.944 21.943 ( 0.584 -0.142 -2.882) 2.944 25.239 ( -0.019 0.006 1.596) 1.596 25.239 ( 0.019 0.006 1.596) 1.596 25.359 ( -0.361 0.140 -0.835) 0.920 25.359 ( 0.361 0.140 -0.835) 0.920 39.179 ( -1.933 0.153 -3.480) 3.984 39.179 ( 1.933 0.153 -3.480) 3.984 41.784 ( -0.114 -0.049 -1.487) 1.492 41.784 ( 0.114 -0.049 -1.487) 1.492 47.856 ( -0.988 0.124 -8.824) 8.880 47.856 ( 0.988 0.124 -8.824) 8.880 48.513 ( -0.163 -0.120 -21.610) 21.611 48.513 ( 0.163 -0.120 -21.610) 21.611======================= Grid point 243 (86/120) =======================q-point: ( 0.00 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 0.000 8.127 15.571) 17.565 2.124 ( 0.000 6.696 11.955) 13.703 2.370 ( 0.000 -1.659 12.740) 12.848 2.555 ( 0.000 -15.383 7.076) 16.932 3.142 ( 0.000 9.512 1.317) 9.603 3.262 ( 0.000 -0.647 3.830) 3.884 3.317 ( 0.000 -2.103 -0.926) 2.298 3.366 ( 0.000 -4.727 -1.034) 4.838 3.633 ( 0.000 -1.140 -7.597) 7.682 3.654 ( 0.000 -3.039 -5.233) 6.051 3.948 ( 0.000 1.272 -2.396) 2.713 3.956 ( 0.000 0.622 -2.919) 2.984 4.039 ( 0.000 5.114 0.770) 5.172 4.087 ( 0.000 -0.581 4.275) 4.314 4.172 ( 0.000 1.611 10.903) 11.022 4.181 ( 0.000 0.616 2.612) 2.683 4.200 ( 0.000 3.917 13.113) 13.685 4.248 ( 0.000 1.834 13.483) 13.607 4.284 ( 0.000 -3.951 16.421) 16.890 4.296 ( 0.000 -2.347 14.961) 15.144 4.709 ( 0.000 4.485 11.821) 12.643 4.783 ( 0.000 -0.398 11.325) 11.332 4.829 ( 0.000 0.276 14.442) 14.445 4.854 ( 0.000 -5.048 13.897) 14.785 5.800 ( 0.000 8.324 2.662) 8.739 5.956 ( 0.000 -8.342 -2.306) 8.655 9.792 ( 0.000 2.609 -2.557) 3.653 9.837 ( 0.000 -2.151 -3.136) 3.803 13.377 ( 0.000 0.017 -0.649) 0.649 13.380 ( 0.000 -0.356 -0.311) 0.473 14.496 ( 0.000 4.021 3.025) 5.032 14.577 ( 0.000 -4.631 2.077) 5.076 16.493 ( 0.000 0.860 -0.594) 1.045 16.514 ( 0.000 -1.328 -0.859) 1.581 21.907 ( 0.000 1.491 -2.748) 3.127 21.932 ( 0.000 -1.254 -3.100) 3.344 25.239 ( 0.000 0.067 1.587) 1.588 25.240 ( 0.000 -0.026 1.604) 1.604 25.384 ( 0.000 0.479 -0.753) 0.893 25.393 ( 0.000 -0.501 -0.804) 0.947 39.070 ( 0.000 3.821 -3.739) 5.346 39.136 ( 0.000 -3.211 -4.467) 5.501 41.788 ( 0.000 0.255 -1.425) 1.447 41.795 ( 0.000 -0.440 -1.424) 1.491 47.935 ( 0.000 0.431 -9.348) 9.358 47.950 ( 0.000 -1.075 -11.295) 11.346 48.126 ( 0.000 4.099 -10.155) 10.951 48.191 ( 0.000 -2.897 -11.185) 11.554======================= Grid point 244 (87/120) =======================q-point: ( 0.12 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( 3.357 7.573 14.431) 16.639 2.195 ( 3.774 -3.857 10.416) 11.730 2.508 ( 13.464 6.866 11.058) 18.727 2.715 ( 13.227 -13.077 6.599) 19.736 3.055 ( -6.089 6.585 1.554) 9.103 3.169 ( -6.951 -5.506 1.253) 8.956 3.363 ( 3.603 3.454 -0.624) 5.030 3.432 ( 3.123 -3.039 0.578) 4.396 3.592 ( -3.175 0.074 -5.649) 6.480 3.637 ( -1.721 -4.218 -3.485) 5.735 3.950 ( -1.161 2.025 -1.290) 2.667 3.961 ( -0.550 1.125 -3.043) 3.291 4.025 ( -1.174 2.638 4.241) 5.130 4.053 ( -2.549 0.070 5.748) 6.288 4.111 ( -2.887 2.817 2.284) 4.635 4.151 ( -1.977 -1.303 2.304) 3.303 4.248 ( 3.221 3.164 12.817) 13.589 4.301 ( 3.469 -0.803 17.379) 17.740 4.320 ( 3.620 -1.024 13.982) 14.479 4.341 ( 4.215 -1.468 13.633) 14.345 4.713 ( 0.082 3.712 11.141) 11.743 4.764 ( -1.445 -1.531 12.130) 12.311 4.822 ( 1.014 4.162 12.958) 13.648 4.918 ( 4.041 -7.001 13.400) 15.649 5.766 ( -3.131 7.696 3.882) 9.170 5.905 ( -4.647 -7.277 -0.574) 8.653 9.792 ( 0.034 2.456 -2.368) 3.412 9.834 ( -0.278 -1.969 -2.933) 3.544 13.380 ( 0.264 0.031 -0.766) 0.811 13.383 ( 0.280 -0.365 -0.490) 0.672 14.489 ( -0.600 3.577 3.186) 4.827 14.561 ( -1.462 -4.079 2.442) 4.973 16.470 ( -2.114 0.884 -0.545) 2.355 16.491 ( -2.114 -1.328 -0.763) 2.611 21.911 ( 0.379 1.333 -2.732) 3.064 21.934 ( 0.162 -1.168 -3.064) 3.283 25.239 ( 0.005 0.060 1.589) 1.590 25.240 ( -0.002 -0.025 1.605) 1.605 25.379 ( -0.416 0.504 -0.769) 1.009 25.389 ( -0.417 -0.487 -0.808) 1.031 39.084 ( 1.359 3.605 -3.707) 5.346 39.147 ( 1.019 -3.083 -4.425) 5.488 41.788 ( -0.078 0.152 -1.427) 1.437 41.792 ( -0.266 -0.310 -1.403) 1.461 47.912 ( -1.557 1.302 -9.077) 9.301 47.939 ( -1.182 -1.623 -9.750) 9.955 48.195 ( 6.048 2.980 -13.139) 14.768 48.244 ( 4.726 -2.226 -13.252) 14.244======================= Grid point 245 (88/120) =======================q-point: ( 0.25 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( 7.471 4.206 11.606) 14.429 2.281 ( 4.814 -5.270 8.158) 10.840 2.792 ( 9.989 7.225 6.147) 13.775 2.899 ( -2.926 -3.287 3.036) 5.347 3.034 ( 8.131 -1.349 4.479) 9.381 3.061 ( 1.452 -4.823 2.889) 5.807 3.411 ( 1.004 2.126 -3.206) 3.976 3.458 ( -1.120 -2.301 -1.457) 2.945 3.535 ( -1.450 2.180 -1.436) 2.986 3.595 ( -2.377 -3.973 -1.634) 4.909 3.866 ( -6.210 4.053 -2.493) 7.823 3.909 ( -4.169 -1.103 2.795) 5.139 4.003 ( -0.158 1.139 6.657) 6.755 4.017 ( -0.783 0.406 0.488) 1.009 4.081 ( -0.812 1.095 6.312) 6.458 4.107 ( -1.947 -1.940 6.208) 6.790 4.321 ( 2.535 2.122 13.138) 13.548 4.362 ( 2.049 -2.308 15.014) 15.328 4.423 ( 6.760 3.335 10.379) 12.827 4.471 ( 8.146 -1.136 5.818) 10.074 4.702 ( -0.943 2.589 11.252) 11.585 4.743 ( -0.598 -1.401 10.687) 10.795 4.862 ( 2.551 5.519 11.798) 13.272 4.992 ( 2.715 -8.658 12.496) 15.443 5.690 ( -3.812 6.313 7.172) 10.287 5.790 ( -5.906 -4.704 4.210) 8.645 9.794 ( 0.205 1.990 -1.967) 2.806 9.826 ( -0.408 -1.429 -2.453) 2.868 13.386 ( 0.361 0.028 -1.047) 1.107 13.390 ( 0.334 -0.362 -0.874) 1.003 14.475 ( -0.652 2.493 3.522) 4.364 14.525 ( -1.888 -2.792 3.163) 4.622 16.419 ( -2.612 0.825 -0.565) 2.797 16.438 ( -2.818 -1.198 -0.669) 3.134 21.921 ( 0.587 0.926 -2.721) 2.934 21.938 ( 0.216 -0.919 -2.981) 3.127 25.239 ( 0.005 0.042 1.593) 1.594 25.239 ( -0.007 -0.022 1.605) 1.605 25.370 ( -0.481 0.499 -0.825) 1.078 25.378 ( -0.576 -0.402 -0.833) 1.090 39.120 ( 1.928 2.885 -3.602) 5.001 39.171 ( 1.081 -2.532 -4.200) 5.022 41.786 ( -0.086 -0.030 -1.447) 1.450 41.786 ( -0.244 -0.077 -1.397) 1.420 47.882 ( -1.327 1.391 -8.741) 8.950 47.908 ( -1.713 -1.397 -8.941) 9.211 48.338 ( 7.251 1.253 -17.611) 19.087 48.360 ( 6.089 -1.044 -17.007) 18.095======================= Grid point 246 (89/120) =======================q-point: ( 0.38 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( 5.892 1.662 7.458) 9.649 2.373 ( 3.492 -1.987 5.257) 6.617 2.828 ( -1.957 -1.642 5.832) 6.367 2.838 ( -1.166 -2.592 4.245) 5.109 3.149 ( 6.383 5.106 3.458) 8.875 3.237 ( 5.249 -3.212 2.229) 6.544 3.416 ( -0.122 1.091 -2.350) 2.594 3.434 ( 0.883 -0.984 -1.755) 2.197 3.501 ( -2.822 -0.198 -2.336) 3.669 3.527 ( -4.129 -2.365 -3.285) 5.782 3.760 ( -3.211 4.139 -0.514) 5.264 3.820 ( -4.439 -2.508 1.132) 5.223 4.007 ( 0.758 1.546 4.961) 5.252 4.022 ( 1.271 -0.404 9.255) 9.350 4.073 ( -0.403 0.572 8.621) 8.649 4.087 ( -0.034 -1.191 5.255) 5.389 4.346 ( 0.535 2.424 11.945) 12.200 4.377 ( -0.439 -0.267 9.978) 9.991 4.551 ( 4.325 2.856 8.897) 10.297 4.611 ( 3.533 -2.472 4.077) 5.934 4.704 ( 2.005 2.455 10.768) 11.225 4.746 ( 1.467 -1.173 10.141) 10.314 4.913 ( 2.411 3.149 10.649) 11.364 5.013 ( -0.799 -7.436 10.845) 13.173 5.633 ( -1.472 4.305 11.224) 12.111 5.687 ( -3.928 -1.819 9.894) 10.800 9.800 ( 0.382 1.245 -1.664) 2.113 9.818 ( -0.434 -0.608 -1.954) 2.092 13.393 ( 0.265 -0.046 -1.293) 1.320 13.395 ( 0.168 -0.304 -1.215) 1.264 14.466 ( -0.160 1.211 3.785) 3.977 14.491 ( -1.388 -1.373 3.685) 4.170 16.375 ( -1.495 0.490 -0.734) 1.736 16.387 ( -1.996 -0.772 -0.748) 2.267 21.933 ( 0.514 0.416 -2.754) 2.833 21.942 ( 0.078 -0.543 -2.896) 2.947 25.239 ( 0.008 0.022 1.596) 1.596 25.239 ( -0.008 -0.012 1.602) 1.602 25.362 ( -0.229 0.355 -0.894) 0.989 25.367 ( -0.451 -0.201 -0.881) 1.010 39.157 ( 1.606 1.645 -3.486) 4.176 39.186 ( 0.305 -1.415 -3.817) 4.082 41.783 ( -0.068 0.027 -1.442) 1.444 41.784 ( -0.071 -0.099 -1.480) 1.485 47.861 ( -0.646 0.851 -8.893) 8.957 47.876 ( -1.328 -0.730 -8.945) 9.072 48.463 ( 4.526 0.229 -20.604) 21.097 48.468 ( 4.056 -0.300 -20.055) 20.463======================= Grid point 247 (90/120) =======================q-point: (-0.50 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.402 ( -0.804 0.351 4.155) 4.247 2.402 ( 0.804 0.351 4.155) 4.247 2.823 ( -0.690 -3.333 7.348) 8.098 2.823 ( 0.690 -3.333 7.348) 8.098 3.241 ( -2.934 2.817 0.291) 4.078 3.241 ( 2.934 2.817 0.291) 4.078 3.444 ( -0.833 -0.210 -0.399) 0.947 3.444 ( 0.833 -0.210 -0.399) 0.947 3.468 ( -0.740 -1.988 -3.567) 4.150 3.468 ( 0.740 -1.988 -3.567) 4.150 3.746 ( -1.944 0.324 0.047) 1.971 3.746 ( 1.944 0.324 0.047) 1.971 4.034 ( -0.860 0.523 14.184) 14.220 4.034 ( 0.860 0.523 14.184) 14.220 4.077 ( -0.998 0.048 1.099) 1.485 4.077 ( 0.997 0.047 1.099) 1.485 4.359 ( -0.897 2.053 8.764) 9.046 4.359 ( 0.897 2.053 8.764) 9.046 4.607 ( -2.007 -1.350 8.689) 9.019 4.607 ( 2.007 -1.350 8.689) 9.019 4.762 ( -1.525 1.778 8.858) 9.162 4.762 ( 1.525 1.778 8.858) 9.162 4.968 ( -3.019 -2.865 9.909) 10.748 4.968 ( 3.019 -2.865 9.909) 10.748 5.633 ( -1.417 1.239 12.804) 12.941 5.633 ( 1.417 1.239 12.804) 12.941 9.809 ( -0.441 0.336 -1.652) 1.743 9.809 ( 0.441 0.336 -1.652) 1.743 13.396 ( -0.067 -0.181 -1.363) 1.377 13.396 ( 0.067 -0.181 -1.363) 1.377 14.471 ( -0.589 -0.060 3.861) 3.906 14.471 ( 0.589 -0.060 3.861) 3.906 16.362 ( -0.319 -0.120 -0.831) 0.898 16.362 ( 0.319 -0.120 -0.831) 0.898 21.940 ( -0.224 -0.088 -2.819) 2.830 21.940 ( 0.224 -0.088 -2.819) 2.830 25.239 ( -0.008 0.004 1.598) 1.598 25.239 ( 0.008 0.004 1.598) 1.598 25.361 ( -0.139 0.086 -0.915) 0.929 25.361 ( 0.139 0.086 -0.915) 0.929 39.181 ( -0.738 0.095 -3.529) 3.606 39.181 ( 0.738 0.095 -3.529) 3.606 41.783 ( -0.044 -0.031 -1.484) 1.485 41.783 ( 0.044 -0.031 -1.484) 1.485 47.858 ( -0.380 0.077 -9.025) 9.034 47.858 ( 0.380 0.077 -9.025) 9.034 48.511 ( -0.065 -0.075 -21.393) 21.394 48.511 ( 0.065 -0.075 -21.393) 21.394======================= Grid point 270 (91/120) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 0.000 0.000 18.916) 18.916 2.244 ( 0.000 0.000 17.496) 17.496 2.808 ( 0.000 0.000 0.996) 0.996 2.830 ( 0.000 0.000 5.967) 5.967 2.906 ( 0.000 0.000 -0.493) 0.493 3.200 ( 0.000 0.000 -2.008) 2.008 3.362 ( 0.000 0.000 -11.544) 11.544 3.448 ( 0.000 0.000 2.849) 2.849 3.605 ( 0.000 0.000 -4.633) 4.633 3.654 ( 0.000 0.000 -3.419) 3.419 3.712 ( 0.000 0.000 -12.656) 12.656 3.723 ( 0.000 0.000 -1.040) 1.040 3.829 ( 0.000 0.000 -9.344) 9.344 3.870 ( 0.000 0.000 -7.869) 7.869 4.331 ( 0.000 0.000 9.846) 9.846 4.388 ( 0.000 0.000 9.932) 9.932 4.496 ( 0.000 0.000 14.420) 14.420 4.563 ( 0.000 0.000 8.195) 8.195 4.646 ( 0.000 0.000 20.978) 20.978 4.821 ( 0.000 0.000 9.156) 9.156 4.838 ( 0.000 0.000 15.132) 15.132 4.874 ( 0.000 0.000 14.326) 14.326 5.039 ( 0.000 0.000 9.045) 9.045 5.175 ( 0.000 0.000 3.213) 3.213 5.748 ( 0.000 0.000 4.989) 4.989 5.961 ( 0.000 0.000 -11.083) 11.083 9.699 ( 0.000 0.000 -1.370) 1.370 9.814 ( 0.000 0.000 -2.538) 2.538 13.360 ( 0.000 0.000 -0.819) 0.819 13.390 ( 0.000 0.000 -0.082) 0.082 14.472 ( 0.000 0.000 2.090) 2.090 14.688 ( 0.000 0.000 0.202) 0.202 16.473 ( 0.000 0.000 -0.357) 0.357 16.525 ( 0.000 0.000 -0.888) 0.888 21.838 ( 0.000 0.000 -1.364) 1.364 21.903 ( 0.000 0.000 -2.167) 2.167 25.263 ( 0.000 0.000 1.034) 1.034 25.266 ( 0.000 0.000 1.083) 1.083 25.363 ( 0.000 0.000 -0.470) 0.470 25.390 ( 0.000 0.000 -0.582) 0.582 38.944 ( 0.000 0.000 -1.469) 1.469 39.122 ( 0.000 0.000 -2.948) 2.948 41.760 ( 0.000 0.000 -1.038) 1.038 41.781 ( 0.000 0.000 -1.038) 1.038 47.756 ( 0.000 0.000 -8.913) 8.913 47.849 ( 0.000 0.000 -6.050) 6.050 47.855 ( 0.000 0.000 -4.291) 4.291 48.055 ( 0.000 0.000 -7.473) 7.473======================= Grid point 271 (92/120) =======================q-point: ( 0.12 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( 5.154 0.000 17.108) 17.868 2.355 ( 8.009 0.000 12.349) 14.719 2.728 ( -1.536 0.000 5.208) 5.430 2.885 ( 5.086 0.000 5.224) 7.291 3.099 ( 12.938 0.000 -1.188) 12.992 3.168 ( -2.977 0.000 -1.594) 3.377 3.349 ( -1.305 0.000 -7.569) 7.680 3.448 ( -0.066 0.000 -0.422) 0.427 3.509 ( -6.346 0.000 -3.319) 7.162 3.640 ( -3.148 0.000 -4.424) 5.430 3.708 ( 0.723 0.000 -5.051) 5.103 3.810 ( 5.903 0.000 -10.161) 11.751 3.836 ( 0.755 0.000 -9.422) 9.453 3.840 ( -2.341 0.000 -7.894) 8.234 4.280 ( -2.909 0.000 9.800) 10.222 4.314 ( -5.310 0.000 10.874) 12.102 4.548 ( 2.769 0.000 12.647) 12.947 4.588 ( 2.514 0.000 10.313) 10.615 4.691 ( 2.401 0.000 17.982) 18.142 4.821 ( -1.354 0.000 14.189) 14.254 4.827 ( 0.534 0.000 8.221) 8.238 4.887 ( 1.275 0.000 16.511) 16.560 4.991 ( -2.129 0.000 8.208) 8.480 5.285 ( 8.404 0.000 4.979) 9.768 5.707 ( -4.132 0.000 4.081) 5.808 5.926 ( -2.984 0.000 -8.582) 9.086 9.705 ( 0.589 0.000 -1.251) 1.383 9.810 ( -0.307 0.000 -2.373) 2.393 13.362 ( 0.165 0.000 -0.858) 0.873 13.390 ( 0.004 0.000 -0.199) 0.199 14.474 ( 0.258 0.000 2.119) 2.135 14.670 ( -1.716 0.000 0.576) 1.810 16.449 ( -2.197 0.000 -0.363) 2.227 16.504 ( -2.025 0.000 -0.828) 2.188 21.845 ( 0.661 0.000 -1.420) 1.567 21.904 ( 0.080 0.000 -2.151) 2.153 25.263 ( 0.021 0.000 1.030) 1.031 25.266 ( -0.009 0.000 1.078) 1.078 25.357 ( -0.498 0.000 -0.473) 0.687 25.385 ( -0.463 0.000 -0.575) 0.738 38.963 ( 1.785 0.000 -1.529) 2.351 39.131 ( 0.814 0.000 -2.942) 3.053 41.761 ( 0.073 0.000 -1.045) 1.047 41.776 ( -0.437 0.000 -0.990) 1.082 47.739 ( -1.253 0.000 -7.010) 7.121 47.837 ( -1.248 0.000 -5.818) 5.950 47.908 ( 4.588 0.000 -7.453) 8.752 48.070 ( 1.489 0.000 -8.512) 8.641======================= Grid point 272 (93/120) =======================q-point: ( 0.25 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( 5.571 0.000 12.053) 13.279 2.448 ( 1.127 0.000 3.295) 3.483 2.808 ( 7.917 0.000 9.471) 12.344 3.000 ( 4.035 0.000 3.695) 5.471 3.104 ( -1.417 0.000 0.394) 1.471 3.299 ( -3.125 0.000 -3.229) 4.494 3.354 ( 10.562 0.000 -0.470) 10.573 3.379 ( -5.836 0.000 -2.174) 6.228 3.459 ( 1.235 0.000 -4.219) 4.396 3.560 ( -5.027 0.000 -3.311) 6.020 3.688 ( -2.232 0.000 -3.719) 4.337 3.770 ( -3.875 0.000 -6.596) 7.650 3.889 ( 3.751 0.000 -9.627) 10.332 3.941 ( 5.951 0.000 -13.766) 14.997 4.229 ( -2.306 0.000 10.171) 10.429 4.243 ( -0.780 0.000 9.205) 9.238 4.578 ( 0.057 0.000 9.513) 9.513 4.653 ( 4.121 0.000 14.581) 15.153 4.697 ( -1.714 0.000 16.221) 16.311 4.806 ( 0.224 0.000 10.408) 10.411 4.843 ( 1.003 0.000 6.947) 7.019 4.913 ( 0.889 0.000 19.051) 19.072 4.993 ( 2.372 0.000 7.589) 7.951 5.471 ( 9.271 0.000 6.677) 11.425 5.579 ( -8.137 0.000 1.917) 8.360 5.866 ( -2.491 0.000 -1.875) 3.118 9.722 ( 1.053 0.000 -1.018) 1.464 9.801 ( -0.576 0.000 -1.952) 2.035 13.367 ( 0.294 0.000 -0.942) 0.986 13.389 ( -0.076 0.000 -0.484) 0.490 14.483 ( 0.642 0.000 2.182) 2.275 14.625 ( -2.507 0.000 1.341) 2.843 16.396 ( -2.660 0.000 -0.436) 2.696 16.450 ( -3.045 0.000 -0.733) 3.132 21.862 ( 0.991 0.000 -1.561) 1.849 21.905 ( 0.044 0.000 -2.102) 2.102 25.263 ( 0.032 0.000 1.025) 1.026 25.266 ( -0.022 0.000 1.066) 1.066 25.346 ( -0.514 0.000 -0.506) 0.721 25.372 ( -0.754 0.000 -0.574) 0.948 39.012 ( 2.846 0.000 -1.676) 3.303 39.147 ( 0.596 0.000 -2.816) 2.879 41.762 ( 0.037 0.000 -1.055) 1.056 41.766 ( -0.445 0.000 -0.926) 1.027 47.714 ( -1.027 0.000 -5.963) 6.051 47.799 ( -2.351 0.000 -5.576) 6.051 48.017 ( 5.582 0.000 -11.184) 12.500 48.111 ( 2.404 0.000 -10.747) 11.013======================= Grid point 273 (94/120) =======================q-point: ( 0.38 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 0.832 0.000 2.851) 2.970 2.476 ( 2.430 0.000 6.603) 7.036 2.958 ( 5.594 0.000 4.943) 7.466 2.997 ( -0.625 0.000 3.339) 3.397 3.156 ( 2.747 0.000 1.930) 3.357 3.264 ( 0.661 0.000 -5.270) 5.311 3.270 ( -4.688 0.000 0.044) 4.689 3.434 ( -6.708 0.000 -3.942) 7.780 3.494 ( 2.195 0.000 -2.388) 3.243 3.514 ( 5.255 0.000 -3.099) 6.101 3.633 ( -3.017 0.000 -1.472) 3.357 3.690 ( -3.856 0.000 -6.296) 7.383 3.967 ( 3.363 0.000 -7.017) 7.782 4.017 ( 1.472 0.000 -9.132) 9.250 4.221 ( 0.719 0.000 7.731) 7.765 4.237 ( -0.087 0.000 8.626) 8.626 4.571 ( -0.003 0.000 11.496) 11.496 4.646 ( -2.845 0.000 15.304) 15.566 4.751 ( 4.803 0.000 11.581) 12.537 4.818 ( 0.468 0.000 6.671) 6.688 4.866 ( 1.293 0.000 8.489) 8.587 4.920 ( -0.201 0.000 17.582) 17.583 5.079 ( 5.812 0.000 5.930) 8.303 5.398 ( -9.123 0.000 2.075) 9.356 5.643 ( 7.269 0.000 7.664) 10.563 5.822 ( -2.232 0.000 3.949) 4.536 9.745 ( 1.195 0.000 -0.902) 1.497 9.787 ( -0.812 0.000 -1.446) 1.658 13.374 ( 0.355 0.000 -1.000) 1.061 13.386 ( -0.212 0.000 -0.782) 0.811 14.502 ( 1.171 0.000 2.228) 2.517 14.574 ( -2.359 0.000 1.934) 3.051 16.354 ( -1.218 0.000 -0.585) 1.351 16.390 ( -2.635 0.000 -0.705) 2.727 21.882 ( 0.897 0.000 -1.732) 1.951 21.904 ( -0.172 0.000 -2.015) 2.022 25.264 ( 0.035 0.000 1.026) 1.026 25.266 ( -0.033 0.000 1.050) 1.050 25.339 ( -0.076 0.000 -0.568) 0.573 25.356 ( -0.764 0.000 -0.595) 0.968 39.072 ( 2.868 0.000 -1.873) 3.426 39.149 ( -0.586 0.000 -2.505) 2.572 41.760 ( -0.148 0.000 -0.939) 0.951 41.762 ( -0.072 0.000 -1.046) 1.048 47.701 ( -0.117 0.000 -5.787) 5.788 47.750 ( -2.311 0.000 -5.634) 6.089 48.116 ( 3.822 0.000 -13.481) 14.012 48.155 ( 1.568 0.000 -12.844) 12.939======================= Grid point 274 (95/120) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 2.484 ( -1.082 0.000 4.041) 4.184 2.484 ( 1.082 0.000 4.041) 4.184 3.012 ( -0.396 0.000 2.498) 2.529 3.012 ( 0.396 0.000 2.498) 2.529 3.192 ( -2.425 0.000 1.636) 2.925 3.192 ( 2.425 0.000 1.636) 2.925 3.320 ( -4.142 0.000 -5.606) 6.970 3.320 ( 4.142 0.000 -5.606) 6.970 3.549 ( -2.771 0.000 -0.543) 2.824 3.549 ( 2.771 0.000 -0.543) 2.824 3.616 ( -3.066 0.000 -5.706) 6.478 3.616 ( 3.066 0.000 -5.706) 6.478 4.015 ( -1.349 0.000 -5.519) 5.681 4.015 ( 1.349 0.000 -5.519) 5.681 4.233 ( -0.383 0.000 7.920) 7.930 4.233 ( 0.383 0.000 7.920) 7.930 4.593 ( -2.113 0.000 13.497) 13.662 4.593 ( 2.113 0.000 13.497) 13.662 4.814 ( -1.178 0.000 6.557) 6.662 4.814 ( 1.178 0.000 6.557) 6.662 4.900 ( -1.788 0.000 13.778) 13.894 4.900 ( 1.788 0.000 13.778) 13.894 5.221 ( -8.043 0.000 3.895) 8.936 5.221 ( 8.043 0.000 3.895) 8.936 5.760 ( -4.212 0.000 7.007) 8.176 5.760 ( 4.212 0.000 7.007) 8.176 9.768 ( -1.045 0.000 -1.049) 1.480 9.768 ( 1.045 0.000 -1.049) 1.480 13.381 ( -0.324 0.000 -0.964) 1.017 13.381 ( 0.324 0.000 -0.964) 1.017 14.532 ( -1.790 0.000 2.189) 2.828 14.532 ( 1.790 0.000 2.189) 2.828 16.351 ( -0.972 0.000 -0.689) 1.191 16.351 ( 0.972 0.000 -0.689) 1.191 21.897 ( -0.541 0.000 -1.890) 1.966 21.897 ( 0.541 0.000 -1.890) 1.966 25.265 ( -0.037 0.000 1.035) 1.036 25.265 ( 0.037 0.000 1.035) 1.036 25.343 ( -0.453 0.000 -0.605) 0.756 25.343 ( 0.453 0.000 -0.605) 0.756 39.122 ( -1.973 0.000 -2.148) 2.917 39.122 ( 1.973 0.000 -2.148) 2.917 41.760 ( -0.077 0.000 -1.000) 1.003 41.760 ( 0.077 0.000 -1.000) 1.003 47.713 ( -1.233 0.000 -5.751) 5.882 47.713 ( 1.233 0.000 -5.751) 5.882 48.164 ( -0.874 0.000 -13.954) 13.981 48.164 ( 0.874 0.000 -13.954) 13.981======================= Grid point 279 (96/120) =======================q-point: ( 0.00 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 0.000 5.115 16.831) 17.591 2.273 ( 0.000 2.951 16.285) 16.550 2.688 ( 0.000 -5.941 7.715) 9.737 2.847 ( 0.000 -5.908 2.228) 6.314 2.981 ( 0.000 9.405 1.154) 9.476 3.235 ( 0.000 3.133 -1.266) 3.379 3.331 ( 0.000 -2.496 -9.186) 9.519 3.413 ( 0.000 -3.372 2.429) 4.155 3.546 ( 0.000 -5.659 -6.804) 8.850 3.659 ( 0.000 -3.698 -2.722) 4.592 3.708 ( 0.000 2.500 -6.939) 7.376 3.721 ( 0.000 1.755 -11.098) 11.236 3.869 ( 0.000 3.501 -7.582) 8.351 3.921 ( 0.000 3.611 -8.726) 9.443 4.335 ( 0.000 0.483 9.622) 9.634 4.376 ( 0.000 -0.985 9.944) 9.992 4.517 ( 0.000 1.989 14.221) 14.359 4.558 ( 0.000 -0.402 9.095) 9.104 4.637 ( 0.000 -0.983 20.023) 20.047 4.692 ( 0.000 -6.333 12.198) 13.744 4.872 ( 0.000 0.440 10.995) 11.004 4.963 ( 0.000 5.434 12.029) 13.199 5.073 ( 0.000 2.881 12.287) 12.620 5.136 ( 0.000 -3.406 5.117) 6.147 5.765 ( 0.000 1.737 2.848) 3.336 5.931 ( 0.000 -3.057 -10.143) 10.593 9.714 ( 0.000 1.548 -1.475) 2.139 9.807 ( 0.000 -0.772 -2.424) 2.544 13.361 ( 0.000 0.122 -0.709) 0.720 13.385 ( 0.000 -0.462 -0.109) 0.475 14.491 ( 0.000 1.999 2.001) 2.829 14.665 ( 0.000 -2.394 0.493) 2.444 16.475 ( 0.000 0.229 -0.362) 0.428 16.517 ( 0.000 -0.811 -0.804) 1.142 21.845 ( 0.000 0.762 -1.475) 1.660 21.897 ( 0.000 -0.562 -2.117) 2.190 25.263 ( 0.000 0.059 1.034) 1.036 25.266 ( 0.000 -0.018 1.073) 1.073 25.365 ( 0.000 0.256 -0.482) 0.545 25.387 ( 0.000 -0.295 -0.572) 0.644 38.964 ( 0.000 2.033 -1.708) 2.656 39.107 ( 0.000 -1.574 -2.890) 3.291 41.761 ( 0.000 0.130 -1.014) 1.022 41.778 ( 0.000 -0.303 -1.011) 1.055 47.757 ( 0.000 0.167 -8.560) 8.562 47.807 ( 0.000 -2.032 -5.583) 5.941 47.909 ( 0.000 3.288 -5.428) 6.346 48.045 ( 0.000 -1.075 -7.329) 7.407======================= Grid point 280 (97/120) =======================q-point: ( 0.12 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( 3.941 1.886 16.202) 16.780 2.380 ( 5.729 1.908 10.286) 11.927 2.706 ( 3.927 -0.858 9.414) 10.236 2.938 ( 4.788 3.001 3.590) 6.695 3.027 ( 6.089 -4.217 1.189) 7.502 3.199 ( -2.877 0.959 -3.007) 4.270 3.323 ( -0.576 -1.938 -2.439) 3.168 3.438 ( 2.038 0.295 -1.611) 2.614 3.502 ( -3.763 -2.591 -5.177) 6.904 3.646 ( -0.896 -2.639 -5.012) 5.735 3.690 ( -1.920 2.744 -6.629) 7.427 3.763 ( 2.912 -1.964 -10.215) 10.802 3.878 ( 1.011 3.049 -8.736) 9.308 3.904 ( -1.073 3.703 -9.427) 10.185 4.284 ( -3.022 0.465 9.655) 10.128 4.312 ( -4.793 -0.194 10.552) 11.591 4.556 ( 1.955 0.708 12.326) 12.500 4.578 ( 1.990 -0.978 11.628) 11.838 4.672 ( 1.625 -2.093 15.694) 15.916 4.717 ( 2.774 -3.616 13.364) 14.120 4.880 ( 0.832 0.301 11.603) 11.636 4.961 ( -0.213 6.399 11.883) 13.498 5.009 ( -2.996 1.325 10.652) 11.144 5.238 ( 6.636 -4.388 7.223) 10.746 5.736 ( -2.756 2.735 2.197) 4.461 5.903 ( -2.334 -2.350 -7.603) 8.293 9.719 ( 0.516 1.468 -1.357) 2.064 9.805 ( -0.210 -0.667 -2.268) 2.374 13.363 ( 0.140 0.097 -0.759) 0.778 13.385 ( 0.011 -0.455 -0.223) 0.507 14.491 ( 0.089 1.808 2.046) 2.732 14.649 ( -1.504 -2.157 0.812) 2.753 16.451 ( -2.161 0.275 -0.361) 2.208 16.496 ( -2.017 -0.813 -0.752) 2.301 21.851 ( 0.574 0.667 -1.513) 1.751 21.899 ( 0.107 -0.529 -2.100) 2.168 25.263 ( 0.016 0.053 1.031) 1.033 25.266 ( -0.008 -0.017 1.069) 1.069 25.360 ( -0.479 0.279 -0.488) 0.739 25.382 ( -0.450 -0.286 -0.571) 0.782 38.981 ( 1.668 1.912 -1.746) 3.080 39.117 ( 0.886 -1.502 -2.878) 3.365 41.761 ( 0.032 0.080 -1.020) 1.023 41.774 ( -0.380 -0.235 -0.973) 1.070 47.743 ( -1.090 0.449 -6.943) 7.042 47.812 ( -0.270 -1.974 -6.212) 6.523 47.941 ( 3.282 2.760 -7.353) 8.512 48.061 ( 1.597 -0.948 -8.420) 8.622======================= Grid point 281 (98/120) =======================q-point: ( 0.25 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( 5.087 0.184 11.826) 12.875 2.444 ( 1.285 -0.450 4.130) 4.349 2.842 ( 7.240 3.327 8.351) 11.542 2.994 ( 0.543 -0.842 3.291) 3.440 3.108 ( 0.880 0.355 1.689) 1.938 3.222 ( 4.116 -6.012 1.277) 7.397 3.322 ( 2.059 -1.609 -3.256) 4.175 3.408 ( -4.911 1.101 -4.029) 6.446 3.490 ( 1.973 1.906 -0.215) 2.751 3.614 ( -3.773 4.943 -7.702) 9.899 3.625 ( -2.390 -4.129 -2.539) 5.404 3.791 ( -1.304 -0.137 -7.923) 8.031 3.893 ( 2.333 1.164 -9.682) 10.027 3.941 ( 3.391 -0.202 -12.293) 12.753 4.236 ( -1.919 0.653 9.639) 9.850 4.247 ( -0.803 0.316 9.022) 9.064 4.582 ( 0.350 0.220 9.517) 9.526 4.615 ( 1.738 -2.548 14.962) 15.276 4.702 ( 1.740 0.296 13.270) 13.387 4.774 ( 2.332 -1.694 11.029) 11.400 4.902 ( 0.836 0.608 13.827) 13.866 4.932 ( -1.483 5.089 10.649) 11.896 5.003 ( 1.806 0.902 9.621) 9.831 5.348 ( 2.558 -8.896 6.588) 11.362 5.678 ( -1.523 6.342 2.300) 6.916 5.859 ( -1.726 -0.882 -1.148) 2.253 9.734 ( 0.915 1.232 -1.116) 1.898 9.798 ( -0.404 -0.375 -1.875) 1.954 13.367 ( 0.245 0.021 -0.870) 0.904 13.385 ( -0.055 -0.424 -0.497) 0.655 14.496 ( 0.362 1.307 2.141) 2.535 14.610 ( -2.182 -1.565 1.468) 3.060 16.399 ( -2.662 0.322 -0.422) 2.714 16.443 ( -2.975 -0.747 -0.679) 3.142 21.866 ( 0.861 0.432 -1.614) 1.880 21.901 ( 0.098 -0.434 -2.050) 2.098 25.264 ( 0.024 0.039 1.028) 1.029 25.266 ( -0.019 -0.014 1.059) 1.059 25.349 ( -0.518 0.299 -0.528) 0.798 25.370 ( -0.712 -0.234 -0.584) 0.951 39.026 ( 2.605 1.532 -1.836) 3.536 39.136 ( 0.787 -1.221 -2.753) 3.113 41.762 ( -0.001 -0.016 -1.032) 1.032 41.765 ( -0.390 -0.105 -0.926) 1.010 47.720 ( -1.037 0.618 -6.001) 6.121 47.787 ( -1.940 -1.219 -5.779) 6.217 48.031 ( 4.961 1.397 -11.008) 12.155 48.106 ( 2.560 -0.636 -10.743) 11.062======================= Grid point 282 (99/120) =======================q-point: ( 0.38 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 1.117 0.012 3.629) 3.797 2.473 ( 2.074 -0.281 6.105) 6.454 2.948 ( 2.666 -1.254 3.641) 4.683 2.989 ( 1.722 -1.040 5.437) 5.798 3.160 ( 2.208 0.690 2.500) 3.406 3.258 ( 0.077 1.002 -0.351) 1.064 3.303 ( -3.240 1.347 -4.766) 5.919 3.397 ( 1.641 -3.081 -3.436) 4.898 3.448 ( -3.695 -0.411 -4.267) 5.659 3.560 ( -3.267 -4.964 -1.066) 6.038 3.610 ( 2.184 5.362 -2.905) 6.478 3.737 ( -3.259 2.130 -6.148) 7.277 3.960 ( 3.172 -0.597 -7.290) 7.972 3.995 ( 1.677 -1.973 -8.788) 9.162 4.228 ( 0.528 0.752 7.971) 8.024 4.243 ( 0.050 0.491 8.222) 8.237 4.581 ( -0.013 0.890 11.273) 11.308 4.623 ( -1.079 -1.626 14.489) 14.619 4.757 ( 3.190 0.211 10.282) 10.768 4.805 ( 0.665 -1.108 7.642) 7.751 4.905 ( 0.612 3.088 12.002) 12.408 4.937 ( 0.702 2.093 13.686) 13.863 5.066 ( 4.456 -1.027 6.154) 7.667 5.308 ( -5.399 -7.631 3.738) 10.067 5.711 ( 3.856 5.331 6.333) 9.133 5.829 ( -1.458 0.587 4.317) 4.595 9.754 ( 1.017 0.883 -0.974) 1.662 9.788 ( -0.608 0.035 -1.416) 1.542 13.372 ( 0.290 -0.101 -0.956) 1.004 13.383 ( -0.170 -0.352 -0.778) 0.871 14.508 ( 0.845 0.640 2.215) 2.455 14.566 ( -2.010 -0.832 1.979) 2.941 16.356 ( -1.322 0.202 -0.563) 1.451 16.385 ( -2.479 -0.506 -0.671) 2.618 21.884 ( 0.771 0.157 -1.743) 1.913 21.901 ( -0.094 -0.284 -1.973) 1.995 25.264 ( 0.028 0.023 1.029) 1.029 25.265 ( -0.028 -0.006 1.047) 1.047 25.342 ( -0.130 0.232 -0.594) 0.651 25.355 ( -0.687 -0.109 -0.616) 0.930 39.080 ( 2.525 0.898 -1.961) 3.321 39.143 ( -0.268 -0.661 -2.471) 2.572 41.760 ( -0.136 -0.034 -0.945) 0.955 41.761 ( -0.076 -0.063 -1.031) 1.035 47.705 ( -0.275 0.414 -5.824) 5.845 47.744 ( -2.026 -0.580 -5.716) 6.092 48.121 ( 3.513 0.517 -13.359) 13.823 48.152 ( 1.715 -0.291 -12.858) 12.975======================= Grid point 283 (100/120) =======================q-point: (-0.50 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( -0.829 -0.245 3.866) 3.961 2.481 ( 0.829 -0.245 3.866) 3.961 3.002 ( -2.083 -1.387 4.536) 5.180 3.002 ( 2.083 -1.387 4.536) 5.180 3.194 ( -2.436 0.935 0.344) 2.632 3.194 ( 2.436 0.935 0.344) 2.632 3.336 ( -3.474 1.438 -5.319) 6.513 3.336 ( 3.474 1.438 -5.319) 6.513 3.483 ( -3.602 -4.548 -2.534) 6.331 3.483 ( 3.602 -4.548 -2.534) 6.331 3.670 ( -3.256 3.158 -3.642) 5.817 3.670 ( 3.256 3.158 -3.642) 5.817 4.004 ( -0.949 -1.084 -6.152) 6.318 4.004 ( 0.949 -1.084 -6.152) 6.319 4.239 ( -0.434 0.625 7.968) 8.004 4.239 ( 0.434 0.625 7.968) 8.005 4.593 ( -1.320 0.084 13.318) 13.383 4.593 ( 1.320 0.084 13.318) 13.383 4.801 ( -1.069 -1.057 7.401) 7.552 4.801 ( 1.069 -1.057 7.401) 7.552 4.932 ( -1.306 2.944 12.608) 13.013 4.932 ( 1.306 2.944 12.608) 13.013 5.180 ( -6.422 -3.918 4.248) 8.639 5.180 ( 6.422 -3.918 4.248) 8.640 5.786 ( -2.973 2.388 6.944) 7.922 5.786 ( 2.973 2.388 6.944) 7.922 9.773 ( -0.846 0.473 -1.075) 1.448 9.773 ( 0.846 0.473 -1.075) 1.448 13.378 ( -0.264 -0.239 -0.940) 1.005 13.378 ( 0.264 -0.239 -0.940) 1.005 14.531 ( -1.448 -0.085 2.196) 2.631 14.531 ( 1.448 -0.085 2.196) 2.631 16.350 ( -0.793 -0.126 -0.664) 1.042 16.350 ( 0.793 -0.126 -0.664) 1.042 21.896 ( -0.439 -0.088 -1.869) 1.922 21.896 ( 0.439 -0.088 -1.869) 1.922 25.265 ( -0.030 0.007 1.035) 1.036 25.265 ( 0.030 0.007 1.035) 1.036 25.344 ( -0.367 0.072 -0.630) 0.733 25.344 ( 0.367 0.072 -0.630) 0.733 39.123 ( -1.596 0.107 -2.168) 2.694 39.123 ( 1.596 0.107 -2.168) 2.694 41.759 ( -0.062 -0.045 -0.997) 1.000 41.759 ( 0.062 -0.045 -0.997) 1.000 47.712 ( -0.996 -0.027 -5.795) 5.880 47.712 ( 0.996 -0.027 -5.795) 5.880 48.165 ( -0.704 0.040 -13.908) 13.926 48.165 ( 0.704 0.040 -13.908) 13.926======================= Grid point 288 (101/120) =======================q-point: ( 0.00 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( 0.000 3.566 12.876) 13.361 2.357 ( 0.000 2.928 11.512) 11.879 2.625 ( 0.000 0.350 13.258) 13.262 2.715 ( 0.000 -7.727 9.286) 12.080 3.155 ( 0.000 9.453 -0.284) 9.457 3.280 ( 0.000 1.254 -1.529) 1.977 3.296 ( 0.000 -1.089 -5.460) 5.567 3.316 ( 0.000 -7.650 0.280) 7.655 3.490 ( 0.000 1.295 -6.611) 6.737 3.565 ( 0.000 -5.536 -4.091) 6.884 3.753 ( 0.000 1.235 -10.995) 11.064 3.754 ( 0.000 1.378 -10.391) 10.482 3.934 ( 0.000 3.078 -7.963) 8.537 3.962 ( 0.000 0.412 -9.034) 9.043 4.346 ( 0.000 0.682 9.327) 9.352 4.360 ( 0.000 -0.798 9.557) 9.591 4.552 ( 0.000 1.242 13.555) 13.612 4.554 ( 0.000 0.170 10.900) 10.902 4.612 ( 0.000 -2.101 13.588) 13.749 4.615 ( 0.000 -1.289 17.404) 17.451 4.905 ( 0.000 3.220 7.912) 8.542 4.977 ( 0.000 -3.634 7.516) 8.348 5.112 ( 0.000 0.969 12.919) 12.955 5.115 ( 0.000 1.198 14.895) 14.943 5.806 ( 0.000 2.732 -2.056) 3.419 5.865 ( 0.000 -3.726 -7.072) 7.994 9.749 ( 0.000 2.131 -1.762) 2.765 9.785 ( 0.000 -1.650 -2.126) 2.691 13.366 ( 0.000 0.376 -0.457) 0.592 13.375 ( 0.000 -0.587 -0.226) 0.629 14.541 ( 0.000 3.412 1.692) 3.808 14.608 ( 0.000 -3.656 1.127) 3.825 16.483 ( 0.000 0.691 -0.432) 0.815 16.499 ( 0.000 -1.048 -0.608) 1.212 21.863 ( 0.000 1.121 -1.724) 2.056 21.883 ( 0.000 -0.997 -1.964) 2.203 25.264 ( 0.000 0.076 1.038) 1.041 25.266 ( 0.000 -0.052 1.052) 1.053 25.372 ( 0.000 0.433 -0.511) 0.670 25.380 ( 0.000 -0.458 -0.545) 0.712 39.012 ( 0.000 3.042 -2.224) 3.769 39.067 ( 0.000 -2.759 -2.667) 3.837 41.765 ( 0.000 0.294 -0.972) 1.016 41.771 ( 0.000 -0.400 -0.969) 1.049 47.763 ( 0.000 0.523 -7.640) 7.658 47.778 ( 0.000 -1.164 -6.501) 6.604 47.968 ( 0.000 3.009 -6.161) 6.857 48.015 ( 0.000 -2.153 -6.878) 7.207======================= Grid point 289 (102/120) =======================q-point: ( 0.12 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( 1.796 3.319 12.990) 13.527 2.389 ( 1.592 -1.428 9.151) 9.397 2.738 ( 10.271 4.701 12.332) 16.723 2.858 ( 11.508 -7.614 8.191) 16.047 3.076 ( -5.001 5.590 0.478) 7.516 3.168 ( -6.256 -4.066 -1.470) 7.605 3.324 ( 1.542 2.506 -2.448) 3.828 3.402 ( 1.922 -5.316 -4.302) 7.104 3.495 ( 1.479 3.969 -3.121) 5.261 3.580 ( 0.937 -4.597 -2.025) 5.110 3.742 ( -1.275 1.913 -11.588) 11.814 3.754 ( 0.209 0.226 -12.153) 12.157 3.928 ( -0.414 2.178 -8.754) 9.030 3.945 ( -1.430 0.610 -9.501) 9.627 4.295 ( -3.341 0.662 9.536) 10.126 4.306 ( -3.919 -0.493 9.924) 10.681 4.561 ( 0.765 -0.261 10.928) 10.958 4.563 ( 0.710 -0.417 13.584) 13.609 4.650 ( 3.385 0.382 13.768) 14.184 4.673 ( 3.851 -1.809 15.097) 15.685 4.912 ( 0.627 3.130 8.435) 9.019 4.976 ( -0.136 -2.995 8.923) 9.413 5.082 ( -1.249 4.796 13.243) 14.140 5.158 ( 2.419 -3.990 11.968) 12.845 5.792 ( -1.182 3.183 -1.389) 3.669 5.850 ( -1.190 -3.187 -4.929) 5.989 9.752 ( 0.311 1.987 -1.639) 2.594 9.785 ( 0.033 -1.490 -1.989) 2.485 13.367 ( 0.086 0.344 -0.533) 0.640 13.375 ( 0.036 -0.567 -0.326) 0.656 14.537 ( -0.370 3.085 1.791) 3.586 14.597 ( -0.977 -3.300 1.328) 3.689 16.460 ( -2.083 0.749 -0.417) 2.252 16.478 ( -2.025 -1.080 -0.575) 2.366 21.867 ( 0.380 1.003 -1.729) 2.035 21.885 ( 0.205 -0.918 -1.950) 2.165 25.265 ( 0.005 0.070 1.037) 1.039 25.266 ( -0.004 -0.048 1.050) 1.051 25.367 ( -0.445 0.456 -0.523) 0.825 25.375 ( -0.434 -0.460 -0.556) 0.842 39.027 ( 1.388 2.874 -2.223) 3.890 39.079 ( 1.091 -2.621 -2.649) 3.883 41.764 ( -0.082 0.205 -0.972) 0.997 41.769 ( -0.239 -0.300 -0.953) 1.027 47.755 ( -0.683 0.977 -6.776) 6.880 47.779 ( -0.258 -1.576 -6.540) 6.732 47.992 ( 2.447 2.690 -7.697) 8.513 48.035 ( 1.920 -1.915 -8.133) 8.573======================= Grid point 290 (103/120) =======================q-point: ( 0.25 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.403 ( 3.765 1.319 10.060) 10.823 2.429 ( 2.246 -1.273 6.775) 7.250 2.912 ( 3.180 3.844 6.059) 7.849 2.967 ( -2.457 -2.128 4.044) 5.188 3.106 ( 3.753 -0.330 2.952) 4.786 3.129 ( 9.269 -3.357 3.779) 10.558 3.330 ( -0.415 2.469 -4.112) 4.814 3.387 ( -1.892 -2.967 -4.401) 5.635 3.526 ( -0.615 2.149 0.807) 2.376 3.568 ( -2.707 -2.431 -0.531) 3.677 3.704 ( -1.707 4.337 -10.719) 11.688 3.764 ( 0.230 -2.372 -10.248) 10.521 3.918 ( -0.046 1.104 -9.652) 9.715 3.933 ( 0.754 -0.604 -10.232) 10.278 4.247 ( -1.280 0.495 8.914) 9.019 4.251 ( -0.909 0.076 8.786) 8.833 4.581 ( 1.077 -0.110 11.141) 11.194 4.586 ( 1.462 -0.689 12.328) 12.433 4.714 ( 2.740 1.157 12.566) 12.913 4.742 ( 2.760 -1.773 12.467) 12.891 4.926 ( 0.714 2.271 10.576) 10.840 4.967 ( -0.644 -1.484 11.011) 11.129 5.068 ( -0.027 6.002 9.657) 11.370 5.193 ( 0.460 -7.731 8.411) 11.433 5.775 ( -0.027 4.200 1.472) 4.450 5.832 ( -0.404 -2.176 0.302) 2.234 9.761 ( 0.535 1.574 -1.367) 2.153 9.786 ( 0.030 -1.042 -1.659) 1.960 13.369 ( 0.131 0.243 -0.707) 0.759 13.376 ( 0.016 -0.494 -0.563) 0.749 14.529 ( -0.389 2.235 2.000) 3.025 14.572 ( -1.358 -2.395 1.747) 3.261 16.408 ( -2.704 0.772 -0.442) 2.846 16.426 ( -2.824 -1.035 -0.549) 3.058 21.877 ( 0.563 0.701 -1.750) 1.968 21.890 ( 0.273 -0.702 -1.916) 2.059 25.265 ( 0.006 0.053 1.035) 1.037 25.265 ( -0.010 -0.037 1.046) 1.047 25.356 ( -0.548 0.453 -0.571) 0.912 25.364 ( -0.622 -0.413 -0.594) 0.954 39.063 ( 2.002 2.316 -2.199) 3.770 39.105 ( 1.310 -2.124 -2.546) 3.565 41.762 ( -0.108 0.034 -0.981) 0.987 41.763 ( -0.256 -0.109 -0.940) 0.980 47.736 ( -1.114 1.167 -6.062) 6.272 47.761 ( -1.382 -1.489 -6.019) 6.353 48.061 ( 3.887 1.693 -10.805) 11.607 48.088 ( 3.047 -1.271 -10.744) 11.240======================= Grid point 291 (104/120) =======================q-point: ( 0.38 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.463 ( 1.494 0.282 4.798) 5.034 2.468 ( 1.477 -0.252 5.061) 5.278 2.929 ( 1.110 -0.172 5.328) 5.446 2.952 ( 1.478 -2.423 6.500) 7.093 3.195 ( 2.733 3.092 1.109) 4.274 3.253 ( 1.002 -2.579 -0.637) 2.839 3.333 ( 1.241 2.903 -4.253) 5.297 3.373 ( 1.002 -0.868 -3.258) 3.517 3.447 ( -5.531 0.504 -3.213) 6.416 3.482 ( -4.721 -3.266 -1.173) 5.859 3.693 ( 0.200 3.704 -4.166) 5.579 3.742 ( -1.945 -1.470 -5.638) 6.142 3.953 ( 2.552 -0.008 -8.057) 8.452 3.963 ( 1.949 -1.213 -8.240) 8.554 4.243 ( 0.383 0.713 7.888) 7.930 4.249 ( 0.265 0.071 7.872) 7.877 4.595 ( 0.109 0.522 11.553) 11.565 4.603 ( -0.013 -0.605 12.773) 12.788 4.762 ( 1.821 0.642 9.783) 9.971 4.782 ( 0.969 -1.349 9.024) 9.176 4.949 ( 1.730 2.038 12.382) 12.667 4.973 ( 1.518 0.153 11.344) 11.446 5.074 ( 0.536 3.109 6.075) 6.846 5.170 ( -2.468 -6.828 5.411) 9.055 5.794 ( 1.649 3.390 5.517) 6.682 5.831 ( 0.084 -0.721 4.975) 5.028 9.772 ( 0.537 0.975 -1.145) 1.597 9.785 ( -0.085 -0.405 -1.316) 1.379 13.372 ( 0.131 0.068 -0.861) 0.874 13.376 ( -0.047 -0.351 -0.793) 0.868 14.524 ( -0.020 1.129 2.167) 2.443 14.546 ( -1.109 -1.247 2.078) 2.665 16.362 ( -1.635 0.504 -0.548) 1.797 16.373 ( -2.084 -0.692 -0.596) 2.275 21.888 ( 0.465 0.322 -1.789) 1.876 21.895 ( 0.134 -0.401 -1.877) 1.924 25.265 ( 0.008 0.030 1.035) 1.035 25.265 ( -0.013 -0.019 1.041) 1.041 25.347 ( -0.285 0.316 -0.638) 0.767 25.352 ( -0.498 -0.240 -0.647) 0.851 39.102 ( 1.641 1.333 -2.163) 3.024 39.125 ( 0.575 -1.186 -2.357) 2.700 41.759 ( -0.111 -0.005 -0.963) 0.970 41.760 ( -0.088 -0.055 -0.996) 1.001 47.716 ( -0.726 0.734 -5.879) 5.969 47.731 ( -1.381 -0.834 -5.847) 6.065 48.133 ( 2.823 0.700 -13.116) 13.435 48.145 ( 2.151 -0.564 -12.934) 13.124======================= Grid point 292 (105/120) =======================q-point: (-0.50 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( -0.295 -0.080 3.489) 3.502 2.478 ( 0.295 -0.080 3.489) 3.502 2.969 ( -1.211 -1.455 7.475) 7.711 2.969 ( 1.211 -1.455 7.475) 7.711 3.228 ( -1.530 1.942 -1.266) 2.777 3.228 ( 1.530 1.942 -1.266) 2.777 3.358 ( -1.437 0.579 -4.847) 5.089 3.358 ( 1.437 0.579 -4.847) 5.089 3.415 ( -1.664 -2.342 -3.309) 4.382 3.415 ( 1.664 -2.342 -3.309) 4.382 3.707 ( -1.269 0.895 -2.718) 3.130 3.707 ( 1.269 0.895 -2.718) 3.130 3.986 ( -0.261 -0.579 -7.151) 7.179 3.986 ( 0.261 -0.579 -7.151) 7.179 4.250 ( -0.210 0.415 7.947) 7.960 4.250 ( 0.210 0.415 7.947) 7.960 4.596 ( -0.296 0.138 12.749) 12.753 4.596 ( 0.296 0.138 12.749) 12.753 4.784 ( -0.493 -0.590 8.333) 8.369 4.784 ( 0.493 -0.590 8.333) 8.369 4.987 ( -1.136 2.467 11.580) 11.894 4.987 ( 1.136 2.467 11.580) 11.894 5.108 ( -3.017 -3.079 4.608) 6.310 5.108 ( 3.017 -3.079 4.608) 6.310 5.824 ( -0.953 1.270 6.906) 7.086 5.824 ( 0.953 1.270 6.906) 7.086 9.781 ( -0.324 0.294 -1.118) 1.200 9.781 ( 0.324 0.294 -1.118) 1.200 13.374 ( -0.102 -0.149 -0.902) 0.920 13.374 ( 0.102 -0.149 -0.902) 0.920 14.529 ( -0.553 -0.053 2.207) 2.276 14.529 ( 0.553 -0.053 2.207) 2.276 16.348 ( -0.307 -0.078 -0.625) 0.700 16.348 ( 0.307 -0.078 -0.625) 0.700 21.895 ( -0.169 -0.054 -1.834) 1.843 21.895 ( 0.169 -0.054 -1.834) 1.843 25.265 ( -0.012 0.005 1.036) 1.036 25.265 ( 0.012 0.005 1.036) 1.036 25.345 ( -0.141 0.045 -0.671) 0.687 25.345 ( 0.141 0.045 -0.671) 0.687 39.125 ( -0.609 0.066 -2.200) 2.284 39.125 ( 0.609 0.066 -2.200) 2.284 41.759 ( -0.024 -0.028 -0.993) 0.994 41.759 ( 0.024 -0.028 -0.993) 0.994 47.712 ( -0.379 -0.017 -5.866) 5.878 47.712 ( 0.379 -0.017 -5.866) 5.878 48.165 ( -0.268 0.024 -13.835) 13.837 48.165 ( 0.268 0.024 -13.835) 13.837======================= Grid point 315 (106/120) =======================q-point: ( 0.00 0.00 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.524 ( 0.000 0.000 9.607) 9.607 2.558 ( 0.000 0.000 15.747) 15.747 2.823 ( 0.000 0.000 0.431) 0.431 2.837 ( 0.000 0.000 -7.021) 7.021 2.882 ( 0.000 0.000 -1.774) 1.774 3.163 ( 0.000 0.000 -1.175) 1.175 3.212 ( 0.000 0.000 -2.383) 2.383 3.502 ( 0.000 0.000 -5.753) 5.753 3.517 ( 0.000 0.000 3.177) 3.177 3.548 ( 0.000 0.000 -2.600) 2.600 3.605 ( 0.000 0.000 -1.346) 1.346 3.673 ( 0.000 0.000 -5.288) 5.288 3.707 ( 0.000 0.000 -0.491) 0.491 3.741 ( 0.000 0.000 -4.648) 4.648 4.461 ( 0.000 0.000 3.433) 3.433 4.520 ( 0.000 0.000 3.484) 3.484 4.671 ( 0.000 0.000 2.818) 2.818 4.689 ( 0.000 0.000 5.122) 5.122 4.873 ( 0.000 0.000 4.488) 4.488 4.961 ( 0.000 0.000 4.536) 4.536 5.047 ( 0.000 0.000 5.785) 5.785 5.159 ( 0.000 0.000 3.167) 3.167 5.195 ( 0.000 0.000 -0.388) 0.388 5.200 ( 0.000 0.000 15.124) 15.124 5.728 ( 0.000 0.000 -11.227) 11.227 5.804 ( 0.000 0.000 1.174) 1.174 9.680 ( 0.000 0.000 -0.492) 0.492 9.780 ( 0.000 0.000 -0.885) 0.885 13.349 ( 0.000 0.000 -0.297) 0.297 13.389 ( 0.000 0.000 -0.027) 0.027 14.499 ( 0.000 0.000 0.680) 0.680 14.691 ( 0.000 0.000 0.078) 0.078 16.468 ( 0.000 0.000 -0.128) 0.128 16.513 ( 0.000 0.000 -0.325) 0.325 21.820 ( 0.000 0.000 -0.472) 0.472 21.874 ( 0.000 0.000 -0.753) 0.753 25.276 ( 0.000 0.000 0.359) 0.359 25.281 ( 0.000 0.000 0.376) 0.376 25.356 ( 0.000 0.000 -0.166) 0.166 25.382 ( 0.000 0.000 -0.207) 0.207 38.925 ( 0.000 0.000 -0.507) 0.507 39.083 ( 0.000 0.000 -0.983) 0.983 41.746 ( 0.000 0.000 -0.372) 0.372 41.767 ( 0.000 0.000 -0.363) 0.363 47.638 ( 0.000 0.000 -3.101) 3.101 47.769 ( 0.000 0.000 -2.119) 2.119 47.797 ( 0.000 0.000 -1.510) 1.510 47.957 ( 0.000 0.000 -2.557) 2.557======================= Grid point 316 (107/120) =======================q-point: ( 0.12 0.00 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( -1.138 0.000 4.115) 4.270 2.575 ( 0.931 0.000 12.526) 12.561 2.850 ( 4.558 0.000 5.943) 7.490 2.895 ( 5.593 0.000 -4.870) 7.416 3.073 ( 15.364 0.000 -1.427) 15.430 3.153 ( -2.310 0.000 1.023) 2.527 3.212 ( 1.729 0.000 -4.266) 4.603 3.462 ( -5.245 0.000 -1.255) 5.393 3.501 ( -0.940 0.000 -6.913) 6.977 3.515 ( -2.093 0.000 5.557) 5.939 3.623 ( -0.245 0.000 -2.048) 2.063 3.652 ( 0.386 0.000 -8.472) 8.481 3.721 ( 1.128 0.000 -1.287) 1.712 3.726 ( -1.707 0.000 -3.613) 3.996 4.410 ( -3.202 0.000 3.406) 4.675 4.455 ( -5.139 0.000 3.634) 6.295 4.681 ( 1.047 0.000 3.025) 3.201 4.759 ( 4.755 0.000 4.878) 6.812 4.887 ( 0.808 0.000 4.070) 4.149 4.951 ( -0.694 0.000 3.978) 4.038 5.022 ( -2.401 0.000 5.836) 6.310 5.093 ( -2.020 0.000 2.348) 3.097 5.235 ( 2.542 0.000 15.456) 15.664 5.342 ( 9.667 0.000 1.184) 9.739 5.662 ( -5.754 0.000 -8.930) 10.623 5.813 ( 0.740 0.000 -0.961) 1.213 9.688 ( 0.725 0.000 -0.453) 0.855 9.779 ( -0.101 0.000 -0.828) 0.834 13.351 ( 0.120 0.000 -0.310) 0.332 13.387 ( -0.140 0.000 -0.067) 0.155 14.502 ( 0.290 0.000 0.689) 0.748 14.677 ( -1.310 0.000 0.187) 1.323 16.444 ( -2.210 0.000 -0.128) 2.214 16.492 ( -1.969 0.000 -0.310) 1.994 21.826 ( 0.593 0.000 -0.491) 0.770 21.875 ( 0.102 0.000 -0.747) 0.754 25.276 ( 0.017 0.000 0.357) 0.357 25.281 ( -0.015 0.000 0.374) 0.374 25.351 ( -0.508 0.000 -0.168) 0.535 25.377 ( -0.465 0.000 -0.209) 0.510 38.943 ( 1.716 0.000 -0.525) 1.795 39.093 ( 0.841 0.000 -0.978) 1.290 41.747 ( 0.065 0.000 -0.374) 0.380 41.763 ( -0.387 0.000 -0.348) 0.520 47.638 ( -0.105 0.000 -2.823) 2.825 47.760 ( -1.016 0.000 -2.053) 2.290 47.817 ( 2.002 0.000 -2.188) 2.965 47.958 ( 0.256 0.000 -2.905) 2.916======================= Grid point 317 (108/120) =======================q-point: ( 0.25 0.00 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( -0.725 0.000 1.303) 1.491 2.581 ( -0.125 0.000 6.441) 6.443 2.959 ( 5.073 0.000 4.763) 6.958 3.010 ( 3.282 0.000 -1.708) 3.700 3.126 ( 1.757 0.000 1.467) 2.289 3.242 ( -0.845 0.000 -2.114) 2.277 3.351 ( -4.353 0.000 -0.563) 4.389 3.383 ( 9.122 0.000 4.130) 10.013 3.440 ( -2.236 0.000 1.311) 2.592 3.490 ( -0.994 0.000 -4.493) 4.601 3.603 ( 1.651 0.000 -4.721) 5.001 3.672 ( -3.250 0.000 -2.796) 4.287 3.727 ( 5.707 0.000 -5.810) 8.144 3.740 ( 0.847 0.000 -4.851) 4.925 4.362 ( -3.161 0.000 3.470) 4.694 4.365 ( -1.181 0.000 3.204) 3.415 4.705 ( 1.069 0.000 3.358) 3.524 4.841 ( 3.147 0.000 4.565) 5.545 4.895 ( -0.000 0.000 4.159) 4.159 4.952 ( 1.345 0.000 3.657) 3.896 4.959 ( -3.514 0.000 5.245) 6.313 5.089 ( 1.482 0.000 2.358) 2.785 5.261 ( -0.713 0.000 15.029) 15.046 5.519 ( -7.671 0.000 -7.586) 10.788 5.552 ( 10.342 0.000 1.902) 10.516 5.837 ( 1.637 0.000 -0.764) 1.807 9.708 ( 1.190 0.000 -0.374) 1.248 9.776 ( -0.253 0.000 -0.681) 0.726 13.354 ( 0.241 0.000 -0.337) 0.414 13.383 ( -0.285 0.000 -0.167) 0.330 14.511 ( 0.679 0.000 0.707) 0.980 14.642 ( -2.046 0.000 0.419) 2.089 16.390 ( -2.738 0.000 -0.149) 2.742 16.440 ( -3.007 0.000 -0.287) 3.020 21.842 ( 0.885 0.000 -0.539) 1.036 21.877 ( 0.090 0.000 -0.728) 0.734 25.277 ( 0.029 0.000 0.355) 0.356 25.280 ( -0.032 0.000 0.369) 0.370 25.339 ( -0.553 0.000 -0.183) 0.583 25.364 ( -0.770 0.000 -0.218) 0.800 38.990 ( 2.740 0.000 -0.570) 2.798 39.111 ( 0.738 0.000 -0.937) 1.192 41.748 ( 0.034 0.000 -0.378) 0.380 41.754 ( -0.425 0.000 -0.326) 0.536 47.631 ( -0.547 0.000 -2.344) 2.407 47.726 ( -2.278 0.000 -1.946) 2.996 47.875 ( 3.379 0.000 -3.546) 4.898 47.970 ( 0.857 0.000 -3.705) 3.803======================= Grid point 318 (109/120) =======================q-point: ( 0.38 0.00 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.502 ( 1.430 0.000 1.198) 1.866 2.573 ( -0.865 0.000 2.819) 2.949 3.033 ( 2.174 0.000 2.307) 3.170 3.047 ( 2.232 0.000 1.762) 2.844 3.166 ( -3.365 0.000 -2.026) 3.927 3.199 ( 2.661 0.000 0.005) 2.661 3.273 ( -3.004 0.000 0.162) 3.008 3.377 ( -8.227 0.000 -1.578) 8.377 3.457 ( 2.061 0.000 -2.114) 2.953 3.470 ( 3.735 0.000 -0.244) 3.743 3.600 ( -3.537 0.000 -2.450) 4.303 3.650 ( -2.095 0.000 2.794) 3.492 3.832 ( 7.043 0.000 -7.682) 10.422 3.848 ( 5.221 0.000 -3.955) 6.550 4.333 ( -0.069 0.000 3.063) 3.063 4.352 ( -0.415 0.000 3.016) 3.044 4.728 ( 1.604 0.000 4.267) 4.558 4.865 ( -3.691 0.000 6.566) 7.533 4.887 ( 1.388 0.000 3.045) 3.347 4.909 ( -0.600 0.000 2.110) 2.193 5.016 ( 4.670 0.000 5.156) 6.956 5.146 ( 3.959 0.000 1.302) 4.167 5.208 ( -3.952 0.000 11.527) 12.186 5.370 ( -6.754 0.000 -4.775) 8.271 5.738 ( 7.490 0.000 2.317) 7.840 5.867 ( 0.695 0.000 0.942) 1.171 9.733 ( 1.197 0.000 -0.330) 1.242 9.768 ( -0.502 0.000 -0.507) 0.713 13.360 ( 0.343 0.000 -0.355) 0.493 13.376 ( -0.380 0.000 -0.272) 0.467 14.530 ( 1.178 0.000 0.718) 1.379 14.598 ( -2.093 0.000 0.609) 2.180 16.346 ( -1.321 0.000 -0.202) 1.337 16.380 ( -2.624 0.000 -0.274) 2.638 21.859 ( 0.787 0.000 -0.598) 0.989 21.878 ( -0.102 0.000 -0.697) 0.705 25.278 ( 0.038 0.000 0.354) 0.356 25.279 ( -0.044 0.000 0.363) 0.366 25.332 ( -0.121 0.000 -0.211) 0.243 25.348 ( -0.780 0.000 -0.231) 0.814 39.047 ( 2.724 0.000 -0.633) 2.797 39.116 ( -0.359 0.000 -0.838) 0.912 41.748 ( -0.117 0.000 -0.352) 0.371 41.748 ( -0.116 0.000 -0.352) 0.371 47.623 ( 0.003 0.000 -2.114) 2.114 47.675 ( -2.404 0.000 -1.953) 3.097 47.941 ( 2.799 0.000 -4.511) 5.308 47.986 ( 0.466 0.000 -4.443) 4.467======================= Grid point 319 (110/120) =======================q-point: (-0.50 0.00 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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| 2.542 ( -2.080 0.000 1.641) 2.649 2.542 ( 2.080 0.000 1.641) 2.650 3.063 ( -1.136 0.000 2.313) 2.577 3.063 ( 1.136 0.000 2.313) 2.577 3.191 ( -5.908 0.000 -1.884) 6.201 3.191 ( 5.908 0.000 -1.884) 6.201 3.247 ( -2.626 0.000 -1.045) 2.827 3.247 ( 2.626 0.000 -1.045) 2.827 3.508 ( -2.287 0.000 -2.578) 3.446 3.508 ( 2.287 0.000 -2.578) 3.446 3.579 ( -3.478 0.000 0.877) 3.587 3.579 ( 3.478 0.000 0.877) 3.587 3.907 ( -0.044 0.000 -3.913) 3.913 3.907 ( 0.044 0.000 -3.913) 3.913 4.342 ( -0.602 0.000 2.916) 2.978 4.342 ( 0.602 0.000 2.916) 2.978 4.783 ( -3.734 0.000 5.374) 6.543 4.783 ( 3.734 0.000 5.374) 6.543 4.903 ( -0.352 0.000 2.372) 2.398 4.903 ( 0.352 0.000 2.372) 2.398 5.117 ( -4.832 0.000 7.480) 8.905 5.117 ( 4.832 0.000 7.480) 8.905 5.245 ( -5.603 0.000 -1.102) 5.711 5.245 ( 5.603 0.000 -1.102) 5.711 5.846 ( -3.044 0.000 2.081) 3.687 5.846 ( 3.044 0.000 2.081) 3.688 9.754 ( -0.864 0.000 -0.374) 0.942 9.754 ( 0.864 0.000 -0.374) 0.942 13.368 ( -0.395 0.000 -0.339) 0.520 13.368 ( 0.395 0.000 -0.339) 0.520 14.559 ( -1.708 0.000 0.699) 1.845 14.559 ( 1.708 0.000 0.699) 1.845 16.342 ( -0.921 0.000 -0.253) 0.955 16.342 ( 0.921 0.000 -0.253) 0.955 21.872 ( -0.448 0.000 -0.653) 0.792 21.872 ( 0.448 0.000 -0.653) 0.792 25.278 ( -0.045 0.000 0.358) 0.360 25.278 ( 0.045 0.000 0.358) 0.360 25.335 ( -0.440 0.000 -0.232) 0.497 25.335 ( 0.440 0.000 -0.232) 0.497 39.094 ( -1.768 0.000 -0.723) 1.910 39.094 ( 1.768 0.000 -0.723) 1.910 41.747 ( -0.033 0.000 -0.355) 0.356 41.747 ( 0.033 0.000 -0.355) 0.356 47.636 ( -1.322 0.000 -2.021) 2.414 47.636 ( 1.322 0.000 -2.021) 2.414 47.981 ( -1.066 0.000 -4.782) 4.900 47.981 ( 1.066 0.000 -4.782) 4.900======================= Grid point 324 (111/120) =======================q-point: ( 0.00 0.20 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 0.000 0.072 8.081) 8.081 2.555 ( 0.000 -0.567 11.246) 11.261 2.803 ( 0.000 1.981 3.899) 4.373 2.884 ( 0.000 0.337 1.185) 1.232 2.953 ( 0.000 8.183 -5.036) 9.608 3.191 ( 0.000 -1.743 -3.094) 3.551 3.208 ( 0.000 4.370 -1.090) 4.504 3.422 ( 0.000 -6.836 -3.220) 7.557 3.441 ( 0.000 -6.292 -2.084) 6.628 3.595 ( 0.000 2.672 -0.725) 2.768 3.596 ( 0.000 -5.640 -3.444) 6.608 3.623 ( 0.000 1.398 -1.400) 1.978 3.760 ( 0.000 3.154 -2.924) 4.301 3.777 ( 0.000 2.783 -5.159) 5.861 4.463 ( 0.000 0.257 3.374) 3.383 4.508 ( 0.000 -1.118 3.456) 3.633 4.677 ( 0.000 0.788 3.130) 3.228 4.713 ( 0.000 2.302 5.322) 5.798 4.851 ( 0.000 -6.487 4.195) 7.725 4.869 ( 0.000 -0.664 4.870) 4.915 5.047 ( 0.000 -5.187 5.151) 7.310 5.136 ( 0.000 -0.674 4.427) 4.478 5.199 ( 0.000 5.538 2.025) 5.896 5.332 ( 0.000 7.302 13.883) 15.686 5.702 ( 0.000 -2.302 -12.394) 12.606 5.788 ( 0.000 -1.760 0.137) 1.766 9.694 ( 0.000 1.397 -0.530) 1.494 9.775 ( 0.000 -0.619 -0.849) 1.050 13.352 ( 0.000 0.274 -0.258) 0.376 13.384 ( 0.000 -0.511 -0.039) 0.512 14.516 ( 0.000 1.861 0.648) 1.971 14.672 ( 0.000 -2.034 0.164) 2.041 16.470 ( 0.000 0.208 -0.132) 0.247 16.507 ( 0.000 -0.694 -0.294) 0.754 21.826 ( 0.000 0.620 -0.507) 0.801 21.869 ( 0.000 -0.483 -0.733) 0.878 25.277 ( 0.000 0.059 0.359) 0.364 25.280 ( 0.000 -0.032 0.372) 0.374 25.359 ( 0.000 0.240 -0.170) 0.294 25.379 ( 0.000 -0.281 -0.203) 0.346 38.941 ( 0.000 1.736 -0.578) 1.830 39.070 ( 0.000 -1.479 -0.961) 1.764 41.747 ( 0.000 0.162 -0.363) 0.397 41.765 ( 0.000 -0.272 -0.356) 0.448 47.644 ( 0.000 0.642 -2.988) 3.056 47.731 ( 0.000 -2.449 -2.033) 3.183 47.839 ( 0.000 2.813 -1.812) 3.346 47.949 ( 0.000 -0.842 -2.497) 2.635======================= Grid point 325 (112/120) =======================q-point: ( 0.12 0.20 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( -0.890 0.095 3.760) 3.865 2.566 ( 0.930 -0.951 10.581) 10.665 2.876 ( 5.705 3.172 5.975) 8.849 2.943 ( 2.978 4.497 -3.077) 6.209 3.061 ( 12.306 -0.645 2.245) 12.526 3.153 ( -2.261 -0.354 0.001) 2.288 3.263 ( 4.202 4.993 -3.498) 7.404 3.395 ( -2.095 -7.119 -4.794) 8.835 3.414 ( -2.632 -4.445 -1.806) 5.472 3.574 ( -1.423 2.457 0.147) 2.843 3.618 ( 0.585 -2.005 -2.592) 3.329 3.621 ( 0.516 -1.737 -2.929) 3.444 3.740 ( -1.729 2.765 -5.471) 6.369 3.762 ( -1.200 2.083 -3.666) 4.384 4.413 ( -3.245 0.361 3.385) 4.703 4.450 ( -4.680 -0.525 3.560) 5.903 4.688 ( 1.005 0.740 3.238) 3.470 4.770 ( 3.957 1.061 5.501) 6.859 4.845 ( -0.275 -5.606 3.923) 6.848 4.888 ( 1.159 -0.202 4.068) 4.235 5.043 ( 0.059 -3.354 3.871) 5.122 5.151 ( -1.538 7.325 5.987) 9.585 5.190 ( 1.716 -3.488 5.331) 6.597 5.395 ( 4.750 3.328 11.162) 12.579 5.656 ( -3.381 0.033 -10.902) 11.414 5.803 ( 1.244 -1.301 -1.166) 2.145 9.701 ( 0.654 1.318 -0.490) 1.551 9.775 ( -0.015 -0.525 -0.794) 0.952 13.353 ( 0.082 0.234 -0.274) 0.369 13.382 ( -0.128 -0.498 -0.077) 0.520 14.517 ( 0.140 1.694 0.662) 1.824 14.659 ( -1.155 -1.861 0.259) 2.206 16.446 ( -2.169 0.260 -0.131) 2.188 16.486 ( -1.971 -0.706 -0.282) 2.113 21.831 ( 0.524 0.545 -0.521) 0.919 21.871 ( 0.129 -0.451 -0.727) 0.865 25.277 ( 0.013 0.055 0.357) 0.362 25.280 ( -0.013 -0.029 0.371) 0.372 25.353 ( -0.494 0.258 -0.174) 0.584 25.375 ( -0.459 -0.278 -0.207) 0.575 38.959 ( 1.623 1.639 -0.590) 2.382 39.080 ( 0.916 -1.402 -0.955) 1.928 41.748 ( 0.024 0.113 -0.365) 0.383 41.761 ( -0.340 -0.217 -0.343) 0.530 47.644 ( -0.093 0.653 -2.747) 2.825 47.731 ( -0.281 -2.244 -2.121) 3.101 47.849 ( 1.176 2.509 -2.279) 3.588 47.951 ( 0.313 -0.777 -2.856) 2.976======================= Grid point 326 (113/120) =======================q-point: ( 0.25 0.20 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.502 ( -0.481 0.876 1.692) 1.965 2.576 ( -0.022 -0.697 6.073) 6.113 2.966 ( 3.534 1.259 3.583) 5.188 3.015 ( 1.909 0.771 -0.787) 2.204 3.140 ( 2.335 1.000 1.329) 2.866 3.273 ( 3.341 1.390 3.751) 5.212 3.291 ( -1.104 -5.610 0.273) 5.724 3.346 ( -3.542 -0.498 -1.901) 4.051 3.461 ( 6.664 0.891 -6.277) 9.198 3.527 ( -2.210 2.624 2.602) 4.307 3.589 ( 0.399 -1.146 -1.343) 1.810 3.672 ( -1.098 -0.972 -3.925) 4.190 3.713 ( 3.162 -0.095 -6.558) 7.281 3.753 ( 0.705 0.650 -6.010) 6.086 4.363 ( -2.276 0.171 3.308) 4.019 4.369 ( -1.835 0.258 3.270) 3.759 4.713 ( 1.215 0.781 3.553) 3.835 4.827 ( 1.434 -3.223 6.332) 7.248 4.858 ( 1.513 -1.000 3.088) 3.581 4.903 ( 0.366 0.112 3.203) 3.226 5.063 ( 1.977 -1.800 2.996) 4.016 5.095 ( -2.708 7.465 5.121) 9.449 5.225 ( 0.300 -4.026 9.654) 10.464 5.423 ( -3.708 -5.405 1.343) 6.690 5.658 ( 5.052 6.339 -2.857) 8.594 5.839 ( 2.256 -0.070 -0.535) 2.320 9.719 ( 1.063 1.097 -0.407) 1.581 9.773 ( -0.106 -0.269 -0.656) 0.717 13.355 ( 0.173 0.121 -0.310) 0.375 13.378 ( -0.253 -0.448 -0.172) 0.542 14.523 ( 0.420 1.242 0.692) 1.482 14.628 ( -1.784 -1.400 0.460) 2.314 16.393 ( -2.733 0.321 -0.150) 2.756 16.433 ( -2.952 -0.667 -0.265) 3.038 21.845 ( 0.781 0.359 -0.557) 1.025 21.874 ( 0.140 -0.360 -0.710) 0.808 25.277 ( 0.022 0.043 0.356) 0.359 25.280 ( -0.027 -0.022 0.367) 0.369 25.342 ( -0.561 0.269 -0.191) 0.651 25.362 ( -0.736 -0.242 -0.220) 0.806 39.003 ( 2.539 1.326 -0.620) 2.931 39.100 ( 0.920 -1.128 -0.916) 1.719 41.748 ( -0.007 0.017 -0.369) 0.370 41.753 ( -0.378 -0.108 -0.327) 0.512 47.637 ( -0.590 0.639 -2.319) 2.477 47.710 ( -1.732 -1.462 -2.032) 3.044 47.891 ( 2.744 1.510 -3.522) 4.713 47.965 ( 0.962 -0.596 -3.686) 3.856======================= Grid point 327 (114/120) =======================q-point: ( 0.38 0.20 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( 0.941 0.567 1.311) 1.710 2.566 ( -0.990 -0.744 2.706) 2.976 3.019 ( 2.245 -0.164 3.377) 4.059 3.060 ( 3.340 0.550 1.058) 3.547 3.192 ( -0.048 0.837 0.809) 1.165 3.213 ( -1.693 1.571 -2.406) 3.335 3.269 ( -3.348 0.059 0.075) 3.350 3.353 ( 2.016 -4.053 -0.905) 4.617 3.380 ( -5.995 -0.149 -2.273) 6.413 3.551 ( -4.336 -4.021 -0.424) 5.928 3.572 ( 1.903 5.233 -0.886) 5.639 3.674 ( -0.942 1.281 0.633) 1.711 3.818 ( 6.524 -1.296 -7.246) 9.836 3.835 ( 5.047 -1.349 -4.497) 6.894 4.339 ( -0.030 0.574 2.991) 3.046 4.354 ( -0.309 0.220 2.962) 2.986 4.738 ( 1.589 1.060 4.377) 4.775 4.832 ( -1.302 -2.566 6.113) 6.756 4.886 ( 1.098 -0.006 3.144) 3.330 4.906 ( -0.095 -0.083 2.580) 2.583 5.074 ( 1.307 4.774 5.133) 7.131 5.122 ( 3.543 -1.925 2.149) 4.569 5.196 ( -2.605 -1.597 8.878) 9.389 5.315 ( -5.515 -4.750 -2.820) 7.805 5.786 ( 5.937 4.176 1.650) 7.444 5.880 ( 1.223 1.074 1.126) 1.979 9.741 ( 1.044 0.787 -0.354) 1.354 9.769 ( -0.332 0.079 -0.497) 0.603 13.360 ( 0.262 -0.040 -0.338) 0.430 13.372 ( -0.325 -0.350 -0.271) 0.550 14.536 ( 0.866 0.618 0.713) 1.281 14.591 ( -1.780 -0.770 0.625) 2.038 16.348 ( -1.421 0.216 -0.200) 1.451 16.375 ( -2.480 -0.456 -0.261) 2.535 21.861 ( 0.686 0.138 -0.603) 0.923 21.875 ( -0.035 -0.228 -0.683) 0.721 25.278 ( 0.030 0.026 0.355) 0.357 25.279 ( -0.037 -0.009 0.362) 0.364 25.334 ( -0.176 0.200 -0.220) 0.345 25.347 ( -0.709 -0.131 -0.236) 0.759 39.055 ( 2.425 0.783 -0.661) 2.633 39.110 ( -0.068 -0.611 -0.827) 1.031 41.747 ( -0.104 -0.044 -0.353) 0.371 41.747 ( -0.126 -0.040 -0.348) 0.372 47.627 ( -0.163 0.405 -2.105) 2.150 47.669 ( -2.063 -0.681 -1.980) 2.940 47.947 ( 2.456 0.629 -4.494) 5.160 47.983 ( 0.616 -0.308 -4.445) 4.498======================= Grid point 328 (115/120) =======================q-point: (-0.50 0.20 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( -1.735 -0.492 1.578) 2.396 2.536 ( 1.735 -0.492 1.578) 2.396 3.083 ( -3.096 1.798 3.499) 5.006 3.083 ( 3.096 1.798 3.499) 5.006 3.179 ( -3.729 -0.779 -2.016) 4.310 3.179 ( 3.729 -0.779 -2.016) 4.310 3.263 ( -3.295 1.462 -1.672) 3.973 3.263 ( 3.295 1.462 -1.672) 3.973 3.443 ( -5.170 -4.832 -1.328) 7.200 3.443 ( 5.170 -4.832 -1.328) 7.200 3.629 ( -2.867 3.192 -0.534) 4.324 3.629 ( 2.867 3.192 -0.534) 4.324 3.891 ( -0.180 -1.565 -3.960) 4.261 3.891 ( 0.180 -1.565 -3.959) 4.261 4.347 ( -0.504 0.479 2.855) 2.939 4.347 ( 0.504 0.479 2.855) 2.939 4.784 ( -2.767 0.084 5.472) 6.132 4.784 ( 2.767 0.084 5.472) 6.132 4.900 ( -0.453 -0.200 2.603) 2.649 4.900 ( 0.453 -0.200 2.603) 2.649 5.129 ( -3.209 1.038 6.847) 7.632 5.129 ( 3.209 1.038 6.847) 7.632 5.211 ( -4.643 -2.996 -0.806) 5.584 5.211 ( 4.643 -2.996 -0.806) 5.584 5.871 ( -2.281 2.305 2.040) 3.831 5.871 ( 2.281 2.305 2.040) 3.831 9.759 ( -0.700 0.441 -0.383) 0.912 9.759 ( 0.700 0.441 -0.383) 0.912 13.366 ( -0.322 -0.208 -0.330) 0.506 13.366 ( 0.322 -0.208 -0.330) 0.506 14.559 ( -1.382 -0.075 0.701) 1.551 14.559 ( 1.382 -0.075 0.701) 1.551 16.341 ( -0.749 -0.098 -0.246) 0.794 16.341 ( 0.749 -0.098 -0.246) 0.794 21.871 ( -0.363 -0.062 -0.647) 0.744 21.871 ( 0.363 -0.062 -0.647) 0.744 25.279 ( -0.037 0.008 0.358) 0.360 25.279 ( 0.037 0.008 0.358) 0.360 25.335 ( -0.356 0.043 -0.239) 0.431 25.335 ( 0.356 0.043 -0.239) 0.431 39.095 ( -1.430 0.082 -0.730) 1.608 39.095 ( 1.430 0.082 -0.730) 1.608 41.746 ( -0.027 -0.041 -0.353) 0.357 41.746 ( 0.028 -0.041 -0.353) 0.357 47.635 ( -1.064 -0.062 -2.023) 2.287 47.635 ( 1.064 -0.062 -2.023) 2.287 47.982 ( -0.858 0.075 -4.780) 4.857 47.982 ( 0.858 0.075 -4.780) 4.857======================= Grid point 333 (116/120) =======================q-point: ( 0.00 0.40 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.528 ( 0.000 0.337 5.664) 5.674 2.539 ( 0.000 -0.904 5.953) 6.021 2.867 ( 0.000 3.354 10.580) 11.099 2.892 ( 0.000 0.206 7.313) 7.316 3.111 ( 0.000 8.611 -4.581) 9.754 3.186 ( 0.000 2.467 -4.334) 4.987 3.247 ( 0.000 -4.994 -1.680) 5.270 3.289 ( 0.000 -7.045 -1.620) 7.228 3.365 ( 0.000 2.992 -5.977) 6.684 3.478 ( 0.000 -6.988 -3.691) 7.903 3.633 ( 0.000 1.382 -1.039) 1.729 3.642 ( 0.000 0.377 -1.320) 1.373 3.806 ( 0.000 1.644 -4.261) 4.567 3.814 ( 0.000 0.872 -5.165) 5.238 4.471 ( 0.000 0.632 3.298) 3.359 4.487 ( 0.000 -1.067 3.349) 3.515 4.701 ( 0.000 1.865 3.931) 4.351 4.744 ( 0.000 -1.825 5.795) 6.076 4.780 ( 0.000 1.442 3.662) 3.935 4.835 ( 0.000 -3.073 5.380) 6.196 5.010 ( 0.000 1.178 2.834) 3.069 5.068 ( 0.000 -4.366 2.123) 4.855 5.330 ( 0.000 6.637 7.831) 10.265 5.406 ( 0.000 -0.443 14.461) 14.468 5.683 ( 0.000 1.368 -11.362) 11.444 5.739 ( 0.000 -3.538 -3.623) 5.064 9.725 ( 0.000 1.880 -0.630) 1.983 9.756 ( 0.000 -1.398 -0.752) 1.588 13.360 ( 0.000 0.573 -0.167) 0.597 13.372 ( 0.000 -0.721 -0.083) 0.725 14.563 ( 0.000 3.096 0.541) 3.142 14.622 ( 0.000 -3.202 0.358) 3.222 16.477 ( 0.000 0.595 -0.161) 0.617 16.491 ( 0.000 -0.895 -0.224) 0.923 21.840 ( 0.000 0.930 -0.590) 1.101 21.857 ( 0.000 -0.846 -0.675) 1.082 25.278 ( 0.000 0.083 0.360) 0.370 25.280 ( 0.000 -0.066 0.365) 0.371 25.365 ( 0.000 0.408 -0.181) 0.446 25.373 ( 0.000 -0.434 -0.193) 0.475 38.983 ( 0.000 2.677 -0.737) 2.777 39.032 ( 0.000 -2.518 -0.882) 2.668 41.752 ( 0.000 0.317 -0.348) 0.470 41.758 ( 0.000 -0.385 -0.345) 0.517 47.661 ( 0.000 1.295 -2.689) 2.985 47.691 ( 0.000 -1.937 -2.318) 3.021 47.888 ( 0.000 2.442 -2.069) 3.200 47.926 ( 0.000 -1.698 -2.323) 2.877======================= Grid point 334 (117/120) =======================q-point: ( 0.12 0.40 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( -0.152 0.689 4.198) 4.256 2.545 ( 0.622 -1.197 6.743) 6.876 2.955 ( 6.688 4.738 7.666) 11.223 3.011 ( 8.574 0.104 5.836) 10.373 3.072 ( -1.354 3.602 -0.141) 3.851 3.141 ( -2.823 -1.685 1.432) 3.586 3.278 ( 0.984 -3.911 -7.267) 8.311 3.295 ( 1.521 -3.731 -1.432) 4.276 3.403 ( 3.939 5.904 -6.137) 9.383 3.521 ( 3.458 -6.192 -5.027) 8.693 3.611 ( -1.799 1.178 0.303) 2.171 3.622 ( -2.067 -0.057 -0.863) 2.240 3.783 ( -2.172 1.506 -5.706) 6.288 3.790 ( -2.035 0.732 -4.937) 5.390 4.423 ( -3.414 0.701 3.361) 4.842 4.437 ( -3.883 -0.808 3.422) 5.238 4.709 ( 0.802 1.621 4.006) 4.395 4.750 ( 0.425 -2.934 5.269) 6.045 4.819 ( 3.004 2.259 3.982) 5.475 4.866 ( 2.095 -2.382 4.705) 5.674 5.022 ( 1.171 1.720 2.806) 3.494 5.091 ( 1.975 -5.143 2.811) 6.185 5.298 ( -2.936 6.930 7.275) 10.468 5.397 ( -1.555 -3.358 11.377) 11.964 5.692 ( 1.579 3.708 -8.021) 8.977 5.761 ( 2.168 -3.279 -2.981) 4.933 9.730 ( 0.459 1.744 -0.587) 1.897 9.759 ( 0.203 -1.253 -0.704) 1.451 13.360 ( -0.004 0.522 -0.192) 0.556 13.371 ( -0.085 -0.686 -0.117) 0.701 14.560 ( -0.257 2.823 0.573) 2.892 14.614 ( -0.751 -2.926 0.420) 3.050 16.455 ( -2.076 0.663 -0.157) 2.185 16.470 ( -1.999 -0.939 -0.217) 2.219 21.844 ( 0.369 0.833 -0.593) 1.087 21.859 ( 0.219 -0.775 -0.671) 1.048 25.278 ( 0.003 0.077 0.360) 0.368 25.280 ( -0.007 -0.061 0.364) 0.369 25.360 ( -0.466 0.428 -0.187) 0.660 25.368 ( -0.453 -0.440 -0.199) 0.662 38.998 ( 1.390 2.531 -0.738) 2.980 39.044 ( 1.120 -2.384 -0.877) 2.776 41.751 ( -0.083 0.236 -0.348) 0.428 41.756 ( -0.223 -0.300 -0.339) 0.504 47.662 ( -0.067 1.310 -2.548) 2.865 47.692 ( -0.074 -1.922 -2.306) 3.003 47.894 ( 0.743 2.278 -2.494) 3.458 47.930 ( 0.478 -1.578 -2.710) 3.173======================= Grid point 335 (118/120) =======================q-point: ( 0.25 0.40 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( -0.057 1.557 2.820) 3.221 2.555 ( 0.126 -1.545 4.567) 4.823 3.015 ( 0.373 3.755 4.028) 5.519 3.041 ( -0.644 1.583 2.724) 3.216 3.135 ( 2.458 -1.616 -0.599) 3.001 3.162 ( 2.406 -5.837 -0.994) 6.392 3.317 ( 1.594 2.091 3.501) 4.378 3.346 ( 2.795 -0.459 1.698) 3.302 3.490 ( -0.246 2.794 -9.823) 10.216 3.546 ( -1.699 -2.128 -3.166) 4.176 3.581 ( 2.054 1.837 2.729) 3.878 3.629 ( 4.164 -2.933 0.279) 5.101 3.734 ( -1.173 1.663 -8.085) 8.337 3.756 ( -0.626 -0.497 -6.934) 6.980 4.368 ( -1.867 0.294 3.204) 3.720 4.371 ( -1.853 -0.027 3.216) 3.712 4.733 ( 1.436 1.437 4.212) 4.676 4.767 ( 1.309 -2.509 5.132) 5.861 4.869 ( 1.718 1.385 3.723) 4.328 4.896 ( 0.758 -1.159 3.749) 3.997 5.056 ( 2.057 1.869 2.913) 4.026 5.128 ( 1.189 -5.299 4.326) 6.943 5.226 ( -3.642 6.277 5.174) 8.913 5.329 ( -4.636 -5.176 5.033) 8.580 5.761 ( 4.767 4.701 -1.728) 6.915 5.823 ( 3.586 -2.031 -0.684) 4.178 9.743 ( 0.719 1.367 -0.491) 1.620 9.764 ( 0.271 -0.853 -0.587) 1.071 13.360 ( 0.013 0.371 -0.250) 0.447 13.369 ( -0.150 -0.574 -0.197) 0.625 14.554 ( -0.257 2.088 0.640) 2.199 14.594 ( -1.099 -2.186 0.553) 2.508 16.402 ( -2.752 0.714 -0.168) 2.848 16.418 ( -2.836 -0.928 -0.214) 2.992 21.854 ( 0.540 0.584 -0.604) 0.999 21.865 ( 0.296 -0.585 -0.662) 0.932 25.278 ( 0.005 0.060 0.358) 0.363 25.279 ( -0.014 -0.047 0.362) 0.366 25.348 ( -0.594 0.423 -0.207) 0.758 25.356 ( -0.661 -0.406 -0.218) 0.806 39.035 ( 2.023 2.046 -0.735) 2.969 39.072 ( 1.405 -1.923 -0.847) 2.528 41.749 ( -0.117 0.074 -0.350) 0.376 41.751 ( -0.259 -0.130 -0.334) 0.442 47.654 ( -0.742 1.234 -2.249) 2.671 47.680 ( -1.083 -1.646 -2.151) 2.917 47.921 ( 1.875 1.675 -3.556) 4.355 47.948 ( 1.289 -1.208 -3.630) 4.037======================= Grid point 336 (119/120) =======================q-point: ( 0.38 0.40 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.523 ( -0.071 1.160 1.651) 2.019 2.546 ( -0.858 -1.317 2.216) 2.717 3.038 ( 2.432 2.025 5.577) 6.413 3.067 ( 2.980 -0.213 4.524) 5.421 3.169 ( 1.195 -1.379 -3.669) 4.097 3.193 ( 1.221 -3.150 -3.786) 5.074 3.307 ( -2.049 3.393 0.422) 3.986 3.347 ( -2.073 0.618 0.754) 2.290 3.387 ( -5.988 2.168 -2.817) 6.964 3.467 ( -5.369 -4.998 -0.610) 7.360 3.648 ( 1.246 3.002 -0.235) 3.259 3.681 ( 0.454 -0.666 0.124) 0.815 3.799 ( 5.472 -0.384 -6.562) 8.553 3.808 ( 4.830 -1.251 -5.745) 7.610 4.350 ( 0.007 0.576 2.877) 2.934 4.356 ( -0.098 -0.073 2.871) 2.874 4.762 ( 1.326 1.446 4.830) 5.213 4.791 ( 0.560 -1.850 5.503) 5.833 4.890 ( 0.528 0.553 3.292) 3.379 4.902 ( -0.070 -0.503 3.134) 3.175 5.102 ( 2.319 0.498 2.514) 3.456 5.137 ( 0.240 -1.995 5.085) 5.467 5.170 ( -1.695 2.945 3.314) 4.746 5.236 ( -4.021 -3.733 1.885) 5.802 5.857 ( 4.052 3.096 1.305) 5.264 5.889 ( 2.477 -0.427 1.291) 2.826 9.757 ( 0.632 0.843 -0.410) 1.131 9.768 ( 0.106 -0.307 -0.465) 0.567 13.360 ( 0.061 0.138 -0.303) 0.338 13.365 ( -0.166 -0.381 -0.277) 0.499 14.552 ( 0.050 1.076 0.694) 1.282 14.573 ( -0.961 -1.170 0.661) 1.652 16.354 ( -1.711 0.484 -0.205) 1.790 16.365 ( -2.120 -0.632 -0.230) 2.224 21.864 ( 0.435 0.272 -0.619) 0.804 21.870 ( 0.159 -0.327 -0.650) 0.745 25.278 ( 0.008 0.034 0.357) 0.359 25.279 ( -0.017 -0.024 0.360) 0.361 25.338 ( -0.328 0.289 -0.236) 0.497 25.343 ( -0.532 -0.246 -0.242) 0.634 39.073 ( 1.648 1.181 -0.727) 2.153 39.095 ( 0.695 -1.074 -0.790) 1.504 41.747 ( -0.109 -0.021 -0.348) 0.366 41.747 ( -0.117 -0.031 -0.346) 0.367 47.638 ( -0.636 0.756 -2.078) 2.301 47.653 ( -1.336 -0.919 -2.033) 2.601 47.961 ( 1.732 0.813 -4.468) 4.860 47.974 ( 1.055 -0.622 -4.452) 4.617======================= Grid point 337 (120/120) =======================q-point: (-0.50 0.40 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 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: 188Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.528 ( -0.685 -0.278 1.459) 1.636 2.528 ( 0.685 -0.278 1.459) 1.636 3.100 ( -1.751 -0.067 5.654) 5.920 3.100 ( 1.751 -0.067 5.654) 5.920 3.190 ( -1.230 1.633 -2.896) 3.545 3.190 ( 1.230 1.633 -2.896) 3.545 3.288 ( -1.651 0.923 -1.981) 2.739 3.288 ( 1.651 0.923 -1.981) 2.739 3.364 ( -3.587 -3.115 -1.499) 4.981 3.364 ( 3.587 -3.115 -1.499) 4.981 3.670 ( -0.980 1.179 -0.778) 1.719 3.670 ( 0.980 1.179 -0.778) 1.719 3.864 ( -0.160 -0.995 -4.149) 4.270 3.864 ( 0.160 -0.995 -4.149) 4.269 4.355 ( -0.204 0.307 2.751) 2.775 4.355 ( 0.204 0.307 2.751) 2.775 4.785 ( -0.916 0.039 5.612) 5.686 4.785 ( 0.916 0.039 5.612) 5.686 4.898 ( -0.270 -0.088 3.010) 3.024 4.898 ( 0.270 -0.088 3.010) 3.024 5.139 ( -1.182 -0.350 2.325) 2.632 5.139 ( 1.182 -0.349 2.325) 2.632 5.170 ( -2.513 -0.758 3.138) 4.091 5.170 ( 2.513 -0.758 3.138) 4.091 5.908 ( -0.794 1.253 2.007) 2.495 5.908 ( 0.794 1.253 2.007) 2.495 9.767 ( -0.268 0.274 -0.397) 0.551 9.767 ( 0.268 0.274 -0.397) 0.551 13.362 ( -0.124 -0.130 -0.316) 0.364 13.362 ( 0.124 -0.130 -0.316) 0.364 14.557 ( -0.528 -0.047 0.706) 0.883 14.557 ( 0.528 -0.047 0.706) 0.883 16.339 ( -0.289 -0.060 -0.234) 0.376 16.339 ( 0.289 -0.060 -0.234) 0.376 21.870 ( -0.139 -0.038 -0.636) 0.652 21.870 ( 0.139 -0.038 -0.636) 0.652 25.279 ( -0.014 0.005 0.358) 0.358 25.279 ( 0.014 0.005 0.358) 0.358 25.336 ( -0.136 0.026 -0.251) 0.287 25.336 ( 0.136 0.026 -0.251) 0.287 39.097 ( -0.546 0.051 -0.741) 0.922 39.097 ( 0.546 0.051 -0.741) 0.922 41.745 ( -0.011 -0.025 -0.352) 0.353 41.745 ( 0.011 -0.025 -0.352) 0.353 47.634 ( -0.404 -0.038 -2.027) 2.067 47.634 ( 0.404 -0.038 -2.027) 2.067 47.983 ( -0.325 0.046 -4.776) 4.787 47.983 ( 0.325 0.046 -4.776) 4.787=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 60.450 71.398 135.140 0.000 0.000 0.000 3/28800 20.0 21.038 19.060 48.576 0.000 0.000 0.000 3/28800 30.0 9.615 8.208 23.123 0.000 0.000 0.000 3/28800 40.0 5.851 4.904 14.896 0.000 0.000 0.000 3/28800 50.0 4.216 3.503 11.226 0.000 0.000 0.000 3/28800 60.0 3.334 2.756 9.157 0.000 0.000 0.000 3/28800 70.0 2.782 2.293 7.800 0.000 0.000 0.000 3/28800 80.0 2.400 1.974 6.823 0.000 0.000 0.000 3/28800 90.0 2.117 1.739 6.075 0.000 0.000 0.000 3/28800 100.0 1.897 1.557 5.481 0.000 0.000 0.000 3/28800 110.0 1.720 1.411 4.994 0.000 0.000 0.000 3/28800 120.0 1.575 1.292 4.587 0.000 0.000 0.000 3/28800 130.0 1.453 1.191 4.242 0.000 0.000 0.000 3/28800 140.0 1.349 1.106 3.945 0.000 0.000 0.000 3/28800 150.0 1.259 1.032 3.688 0.000 0.000 0.000 3/28800 160.0 1.180 0.968 3.462 0.000 0.000 0.000 3/28800 170.0 1.111 0.912 3.263 0.000 0.000 0.000 3/28800 180.0 1.050 0.862 3.086 0.000 0.000 0.000 3/28800 190.0 0.995 0.817 2.928 0.000 0.000 0.000 3/28800 200.0 0.946 0.777 2.787 0.000 0.000 0.000 3/28800 210.0 0.902 0.741 2.659 0.000 0.000 0.000 3/28800 220.0 0.862 0.708 2.543 0.000 0.000 0.000 3/28800 230.0 0.826 0.679 2.439 0.000 0.000 0.000 3/28800 240.0 0.793 0.651 2.343 0.000 0.000 0.000 3/28800 250.0 0.763 0.627 2.257 0.000 0.000 0.000 3/28800 260.0 0.736 0.604 2.178 0.000 0.000 0.000 3/28800 270.0 0.711 0.583 2.106 0.000 0.000 0.000 3/28800 280.0 0.688 0.564 2.040 0.000 0.000 0.000 3/28800 290.0 0.667 0.546 1.980 0.000 0.000 0.000 3/28800 300.0 0.648 0.529 1.925 0.000 0.000 0.000 3/28800 310.0 0.631 0.514 1.875 0.000 0.000 0.000 3/28800 320.0 0.615 0.499 1.830 0.000 0.000 0.000 3/28800 330.0 0.601 0.486 1.788 0.000 0.000 0.000 3/28800 340.0 0.588 0.474 1.750 0.000 0.000 0.000 3/28800 350.0 0.576 0.462 1.716 0.000 0.000 0.000 3/28800 360.0 0.565 0.451 1.685 0.000 0.000 0.000 3/28800 370.0 0.555 0.441 1.656 0.000 0.000 0.000 3/28800 380.0 0.546 0.432 1.630 0.000 0.000 0.000 3/28800 390.0 0.538 0.423 1.607 0.000 0.000 0.000 3/28800 400.0 0.531 0.415 1.586 0.000 0.000 0.000 3/28800 410.0 0.524 0.407 1.567 0.000 0.000 0.000 3/28800 420.0 0.518 0.399 1.549 0.000 0.000 0.000 3/28800 430.0 0.513 0.392 1.534 0.000 0.000 0.000 3/28800 440.0 0.508 0.386 1.520 0.000 0.000 -0.000 3/28800 450.0 0.503 0.380 1.507 0.000 0.000 -0.000 3/28800 460.0 0.499 0.374 1.495 0.000 0.000 -0.000 3/28800 470.0 0.496 0.368 1.485 0.000 0.000 -0.000 3/28800 480.0 0.493 0.363 1.476 0.000 0.000 -0.000 3/28800 490.0 0.490 0.358 1.467 0.000 0.000 -0.000 3/28800 500.0 0.487 0.353 1.460 0.000 0.000 -0.000 3/28800 510.0 0.485 0.349 1.453 0.000 0.000 -0.000 3/28800 520.0 0.482 0.344 1.447 0.000 0.000 -0.000 3/28800 530.0 0.480 0.340 1.441 0.000 0.000 -0.000 3/28800 540.0 0.479 0.336 1.436 0.000 0.000 -0.000 3/28800 550.0 0.477 0.332 1.432 0.000 0.000 -0.000 3/28800 560.0 0.475 0.329 1.428 0.000 0.000 -0.000 3/28800 570.0 0.474 0.325 1.424 0.000 0.000 -0.000 3/28800 580.0 0.473 0.322 1.420 0.000 0.000 -0.000 3/28800 590.0 0.471 0.318 1.417 0.000 0.000 -0.000 3/28800 600.0 0.470 0.315 1.414 0.000 0.000 -0.000 3/28800 610.0 0.469 0.312 1.411 0.000 0.000 -0.000 3/28800 620.0 0.468 0.309 1.409 0.000 0.000 -0.000 3/28800 630.0 0.467 0.306 1.406 0.000 0.000 -0.000 3/28800 640.0 0.466 0.303 1.404 0.000 0.000 -0.000 3/28800 650.0 0.465 0.301 1.402 0.000 0.000 -0.000 3/28800 660.0 0.464 0.298 1.400 0.000 0.000 -0.000 3/28800 670.0 0.464 0.296 1.398 0.000 0.000 -0.000 3/28800 680.0 0.463 0.293 1.396 0.000 0.000 -0.000 3/28800 690.0 0.462 0.291 1.394 0.000 0.000 -0.000 3/28800 700.0 0.461 0.288 1.392 0.000 0.000 -0.000 3/28800 710.0 0.460 0.286 1.390 0.000 0.000 -0.000 3/28800 720.0 0.459 0.284 1.388 0.000 0.000 -0.000 3/28800 730.0 0.459 0.282 1.386 0.000 0.000 -0.000 3/28800 740.0 0.458 0.279 1.384 0.000 0.000 -0.000 3/28800 750.0 0.457 0.277 1.382 0.000 0.000 -0.000 3/28800 760.0 0.456 0.275 1.380 0.000 0.000 -0.000 3/28800 770.0 0.455 0.273 1.378 0.000 0.000 -0.000 3/28800 780.0 0.454 0.271 1.376 0.000 0.000 -0.000 3/28800 790.0 0.453 0.269 1.374 0.000 0.000 -0.000 3/28800 800.0 0.452 0.267 1.372 0.000 0.000 -0.000 3/28800 810.0 0.451 0.266 1.370 0.000 0.000 -0.000 3/28800 820.0 0.450 0.264 1.368 0.000 0.000 -0.000 3/28800 830.0 0.449 0.262 1.365 0.000 0.000 -0.000 3/28800 840.0 0.448 0.260 1.363 0.000 0.000 -0.000 3/28800 850.0 0.447 0.258 1.361 0.000 0.000 -0.000 3/28800 860.0 0.446 0.257 1.358 0.000 0.000 -0.000 3/28800 870.0 0.445 0.255 1.356 0.000 0.000 -0.000 3/28800 880.0 0.444 0.253 1.354 0.000 0.000 -0.000 3/28800 890.0 0.443 0.252 1.351 0.000 0.000 -0.000 3/28800 900.0 0.442 0.250 1.349 0.000 0.000 -0.000 3/28800 910.0 0.441 0.248 1.346 0.000 0.000 -0.000 3/28800 920.0 0.440 0.247 1.343 0.000 0.000 -0.000 3/28800 930.0 0.439 0.245 1.341 0.000 0.000 -0.000 3/28800 940.0 0.438 0.244 1.338 0.000 0.000 -0.000 3/28800 950.0 0.437 0.242 1.335 0.000 0.000 -0.000 3/28800 960.0 0.435 0.241 1.332 0.000 0.000 -0.000 3/28800 970.0 0.434 0.239 1.330 0.000 0.000 -0.000 3/28800 980.0 0.433 0.238 1.327 0.000 0.000 -0.000 3/28800 990.0 0.432 0.236 1.324 0.000 0.000 -0.000 3/28800 1000.0 0.431 0.235 1.321 0.000 0.000 -0.000 3/28800Thermal conductivity related properties were written into "kappa-m8515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 16:11:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|