# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/7707e264-40da-4808-8772-b3daf80c66e0/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 H4CN2O / P-42_1m (113) / materials id 23778](https://mdr.nims.go.jp/datasets/436fd5f8-7799-4097-92cb-3c2e716f5197) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:36:34]-------------------------Compiled with OpenMP support (max 48 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-42_1m (113)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 5.507156600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.507156600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.608808610000000Atomic positions (fractional): *1 H 0.64361161537112 0.85638838462888 0.95504547489211 1.008 2 H 0.85638838462888 0.35638838462888 0.04495452510789 1.008 3 H 0.14361161537112 0.64361161537112 0.04495452510789 1.008 4 H 0.35638838462888 0.14361161537112 0.95504547489211 1.008 *5 H 0.23617899837101 0.26382100162899 0.28267500743013 1.008 6 H 0.73617899837101 0.23617899837101 0.71732499256988 1.008 7 H 0.26382100162899 0.76382100162899 0.71732499256988 1.008 8 H 0.76382100162899 0.73617899837101 0.28267500743013 1.008 *9 C 0.00000000000000 0.50000000000000 0.67136682304551 12.011 10 C 0.50000000000000 0.00000000000000 0.32863317695449 12.011 *11 N 0.85255592999658 0.35255592999658 0.82240779856529 14.007 12 N 0.35255592999658 0.14744407000342 0.17759220143471 14.007 13 N 0.14744407000342 0.64744407000342 0.82240779856529 14.007 14 N 0.64744407000342 0.85255592999658 0.17759220143471 14.007 *15 O 0.50000000000000 0.00000000000000 0.60650061854683 15.999 16 O 0.00000000000000 0.50000000000000 0.39349938145317 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.507156600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.507156600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.608808610000000Atomic positions (fractional): *1 H 0.64361161537112 0.85638838462888 0.95504547489211 1.008 > 1 2 H 0.85638838462888 0.35638838462888 0.04495452510789 1.008 > 2 3 H 0.14361161537112 0.64361161537112 0.04495452510789 1.008 > 3 4 H 0.35638838462888 0.14361161537112 0.95504547489211 1.008 > 4 *5 H 0.23617899837101 0.26382100162899 0.28267500743013 1.008 > 5 6 H 0.73617899837101 0.23617899837101 0.71732499256988 1.008 > 6 7 H 0.26382100162899 0.76382100162899 0.71732499256988 1.008 > 7 8 H 0.76382100162899 0.73617899837101 0.28267500743013 1.008 > 8 *9 C 0.00000000000000 0.50000000000000 0.67136682304551 12.011 > 9 10 C 0.50000000000000 0.00000000000000 0.32863317695449 12.011 > 10 *11 N 0.85255592999658 0.35255592999658 0.82240779856529 14.007 > 11 12 N 0.35255592999658 0.14744407000342 0.17759220143471 14.007 > 12 13 N 0.14744407000342 0.64744407000342 0.82240779856529 14.007 > 13 14 N 0.64744407000342 0.85255592999658 0.17759220143471 14.007 > 14 *15 O 0.50000000000000 0.00000000000000 0.60650061854683 15.999 > 15 16 O 0.00000000000000 0.50000000000000 0.39349938145317 15.999 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 11.014313200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014313200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.217617219999999Atomic positions (fractional): *1 H 0.32180580768556 0.42819419231444 0.47752273744606 1.008 > 1 2 H 0.82180580768556 0.42819419231444 0.47752273744606 1.008 > 1 3 H 0.32180580768556 0.92819419231444 0.47752273744606 1.008 > 1 4 H 0.82180580768556 0.92819419231444 0.47752273744606 1.008 > 1 5 H 0.32180580768556 0.42819419231444 0.97752273744606 1.008 > 1 6 H 0.82180580768556 0.42819419231444 0.97752273744606 1.008 > 1 7 H 0.32180580768556 0.92819419231444 0.97752273744606 1.008 > 1 8 H 0.82180580768556 0.92819419231444 0.97752273744606 1.008 > 1 9 H 0.42819419231444 0.17819419231444 0.02247726255394 1.008 > 2 10 H 0.92819419231444 0.17819419231444 0.02247726255394 1.008 > 2 11 H 0.42819419231444 0.67819419231444 0.02247726255394 1.008 > 2 12 H 0.92819419231444 0.67819419231444 0.02247726255394 1.008 > 2 13 H 0.42819419231444 0.17819419231444 0.52247726255394 1.008 > 2 14 H 0.92819419231444 0.17819419231444 0.52247726255394 1.008 > 2 15 H 0.42819419231444 0.67819419231444 0.52247726255394 1.008 > 2 16 H 0.92819419231444 0.67819419231444 0.52247726255394 1.008 > 2 17 H 0.07180580768556 0.32180580768556 0.02247726255394 1.008 > 3 18 H 0.57180580768556 0.32180580768556 0.02247726255394 1.008 > 3 19 H 0.07180580768556 0.82180580768556 0.02247726255394 1.008 > 3 20 H 0.57180580768556 0.82180580768556 0.02247726255394 1.008 > 3 21 H 0.07180580768556 0.32180580768556 0.52247726255394 1.008 > 3 22 H 0.57180580768556 0.32180580768556 0.52247726255394 1.008 > 3 23 H 0.07180580768556 0.82180580768556 0.52247726255394 1.008 > 3 24 H 0.57180580768556 0.82180580768556 0.52247726255394 1.008 > 3 25 H 0.17819419231444 0.07180580768556 0.47752273744606 1.008 > 4 26 H 0.67819419231444 0.07180580768556 0.47752273744606 1.008 > 4 27 H 0.17819419231444 0.57180580768556 0.47752273744606 1.008 > 4 28 H 0.67819419231444 0.57180580768556 0.47752273744606 1.008 > 4 29 H 0.17819419231444 0.07180580768556 0.97752273744606 1.008 > 4 30 H 0.67819419231444 0.07180580768556 0.97752273744606 1.008 > 4 31 H 0.17819419231444 0.57180580768556 0.97752273744606 1.008 > 4 32 H 0.67819419231444 0.57180580768556 0.97752273744606 1.008 > 4 *33 H 0.11808949918550 0.13191050081450 0.14133750371506 1.008 > 5 34 H 0.61808949918550 0.13191050081450 0.14133750371506 1.008 > 5 35 H 0.11808949918550 0.63191050081450 0.14133750371506 1.008 > 5 36 H 0.61808949918550 0.63191050081450 0.14133750371506 1.008 > 5 37 H 0.11808949918550 0.13191050081450 0.64133750371506 1.008 > 5 38 H 0.61808949918550 0.13191050081450 0.64133750371506 1.008 > 5 39 H 0.11808949918550 0.63191050081450 0.64133750371506 1.008 > 5 40 H 0.61808949918550 0.63191050081450 0.64133750371506 1.008 > 5 41 H 0.36808949918550 0.11808949918550 0.35866249628494 1.008 > 6 42 H 0.86808949918550 0.11808949918550 0.35866249628494 1.008 > 6 43 H 0.36808949918550 0.61808949918550 0.35866249628494 1.008 > 6 44 H 0.86808949918550 0.61808949918550 0.35866249628494 1.008 > 6 45 H 0.36808949918550 0.11808949918550 0.85866249628494 1.008 > 6 46 H 0.86808949918550 0.11808949918550 0.85866249628494 1.008 > 6 47 H 0.36808949918550 0.61808949918550 0.85866249628494 1.008 > 6 48 H 0.86808949918550 0.61808949918550 0.85866249628494 1.008 > 6 49 H 0.13191050081450 0.38191050081450 0.35866249628494 1.008 > 7 50 H 0.63191050081450 0.38191050081450 0.35866249628494 1.008 > 7 51 H 0.13191050081450 0.88191050081450 0.35866249628494 1.008 > 7 52 H 0.63191050081450 0.88191050081450 0.35866249628494 1.008 > 7 53 H 0.13191050081450 0.38191050081450 0.85866249628494 1.008 > 7 54 H 0.63191050081450 0.38191050081450 0.85866249628494 1.008 > 7 55 H 0.13191050081450 0.88191050081450 0.85866249628494 1.008 > 7 56 H 0.63191050081450 0.88191050081450 0.85866249628494 1.008 > 7 57 H 0.38191050081450 0.36808949918550 0.14133750371506 1.008 > 8 58 H 0.88191050081450 0.36808949918550 0.14133750371506 1.008 > 8 59 H 0.38191050081450 0.86808949918550 0.14133750371506 1.008 > 8 60 H 0.88191050081450 0.86808949918550 0.14133750371506 1.008 > 8 61 H 0.38191050081450 0.36808949918550 0.64133750371506 1.008 > 8 62 H 0.88191050081450 0.36808949918550 0.64133750371506 1.008 > 8 63 H 0.38191050081450 0.86808949918550 0.64133750371506 1.008 > 8 64 H 0.88191050081450 0.86808949918550 0.64133750371506 1.008 > 8 *65 C 0.00000000000000 0.25000000000000 0.33568341152276 12.011 > 9 66 C 0.50000000000000 0.25000000000000 0.33568341152276 12.011 > 9 67 C 0.00000000000000 0.75000000000000 0.33568341152276 12.011 > 9 68 C 0.50000000000000 0.75000000000000 0.33568341152276 12.011 > 9 69 C 0.00000000000000 0.25000000000000 0.83568341152276 12.011 > 9 70 C 0.50000000000000 0.25000000000000 0.83568341152276 12.011 > 9 71 C 0.00000000000000 0.75000000000000 0.83568341152276 12.011 > 9 72 C 0.50000000000000 0.75000000000000 0.83568341152276 12.011 > 9 73 C 0.25000000000000 0.00000000000000 0.16431658847724 12.011 > 10 74 C 0.75000000000000 0.00000000000000 0.16431658847724 12.011 > 10 75 C 0.25000000000000 0.50000000000000 0.16431658847724 12.011 > 10 76 C 0.75000000000000 0.50000000000000 0.16431658847724 12.011 > 10 77 C 0.25000000000000 0.00000000000000 0.66431658847724 12.011 > 10 78 C 0.75000000000000 0.00000000000000 0.66431658847724 12.011 > 10 79 C 0.25000000000000 0.50000000000000 0.66431658847724 12.011 > 10 80 C 0.75000000000000 0.50000000000000 0.66431658847724 12.011 > 10 *81 N 0.42627796499829 0.17627796499829 0.41120389928264 14.007 > 11 82 N 0.92627796499829 0.17627796499829 0.41120389928264 14.007 > 11 83 N 0.42627796499829 0.67627796499829 0.41120389928264 14.007 > 11 84 N 0.92627796499829 0.67627796499829 0.41120389928264 14.007 > 11 85 N 0.42627796499829 0.17627796499829 0.91120389928264 14.007 > 11 86 N 0.92627796499829 0.17627796499829 0.91120389928264 14.007 > 11 87 N 0.42627796499829 0.67627796499829 0.91120389928264 14.007 > 11 88 N 0.92627796499829 0.67627796499829 0.91120389928264 14.007 > 11 89 N 0.17627796499829 0.07372203500171 0.08879610071736 14.007 > 12 90 N 0.67627796499829 0.07372203500171 0.08879610071736 14.007 > 12 91 N 0.17627796499829 0.57372203500171 0.08879610071736 14.007 > 12 92 N 0.67627796499829 0.57372203500171 0.08879610071736 14.007 > 12 93 N 0.17627796499829 0.07372203500171 0.58879610071736 14.007 > 12 94 N 0.67627796499829 0.07372203500171 0.58879610071736 14.007 > 12 95 N 0.17627796499829 0.57372203500171 0.58879610071736 14.007 > 12 96 N 0.67627796499829 0.57372203500171 0.58879610071736 14.007 > 12 97 N 0.07372203500171 0.32372203500171 0.41120389928264 14.007 > 13 98 N 0.57372203500171 0.32372203500171 0.41120389928264 14.007 > 13 99 N 0.07372203500171 0.82372203500171 0.41120389928264 14.007 > 13 100 N 0.57372203500171 0.82372203500171 0.41120389928264 14.007 > 13 101 N 0.07372203500171 0.32372203500171 0.91120389928264 14.007 > 13 102 N 0.57372203500171 0.32372203500171 0.91120389928264 14.007 > 13 103 N 0.07372203500171 0.82372203500171 0.91120389928264 14.007 > 13 104 N 0.57372203500171 0.82372203500171 0.91120389928264 14.007 > 13 105 N 0.32372203500171 0.42627796499829 0.08879610071736 14.007 > 14 106 N 0.82372203500171 0.42627796499829 0.08879610071736 14.007 > 14 107 N 0.32372203500171 0.92627796499829 0.08879610071736 14.007 > 14 108 N 0.82372203500171 0.92627796499829 0.08879610071736 14.007 > 14 109 N 0.32372203500171 0.42627796499829 0.58879610071736 14.007 > 14 110 N 0.82372203500171 0.42627796499829 0.58879610071736 14.007 > 14 111 N 0.32372203500171 0.92627796499829 0.58879610071736 14.007 > 14 112 N 0.82372203500171 0.92627796499829 0.58879610071736 14.007 > 14 *113 O 0.25000000000000 0.00000000000000 0.30325030927341 15.999 > 15 114 O 0.75000000000000 0.00000000000000 0.30325030927341 15.999 > 15 115 O 0.25000000000000 0.50000000000000 0.30325030927341 15.999 > 15 116 O 0.75000000000000 0.50000000000000 0.30325030927341 15.999 > 15 117 O 0.25000000000000 0.00000000000000 0.80325030927341 15.999 > 15 118 O 0.75000000000000 0.00000000000000 0.80325030927341 15.999 > 15 119 O 0.25000000000000 0.50000000000000 0.80325030927341 15.999 > 15 120 O 0.75000000000000 0.50000000000000 0.80325030927341 15.999 > 15 121 O 0.00000000000000 0.25000000000000 0.19674969072659 15.999 > 16 122 O 0.50000000000000 0.25000000000000 0.19674969072659 15.999 > 16 123 O 0.00000000000000 0.75000000000000 0.19674969072659 15.999 > 16 124 O 0.50000000000000 0.75000000000000 0.19674969072659 15.999 > 16 125 O 0.00000000000000 0.25000000000000 0.69674969072659 15.999 > 16 126 O 0.50000000000000 0.25000000000000 0.69674969072659 15.999 > 16 127 O 0.00000000000000 0.75000000000000 0.69674969072659 15.999 > 16 128 O 0.50000000000000 0.75000000000000 0.69674969072659 15.999 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.3552768 0.0000000 0.0000000 0.0000000 2.3552768 0.0000000 0.0000000 0.0000000 2.7556970-------------------------- Born effective charges -------------------------- 1 H 0.3223311 0.0732198 0.0484846 0.0732198 0.3223311 -0.0484846 0.1203226 -0.1203226 0.7714760 2 H 0.3223311 -0.0732198 0.0484846 -0.0732198 0.3223311 0.0484846 0.1203226 0.1203226 0.7714760 3 H 0.3223311 -0.0732198 -0.0484846 -0.0732198 0.3223311 -0.0484846 -0.1203226 -0.1203226 0.7714760 4 H 0.3223311 0.0732198 -0.0484846 0.0732198 0.3223311 0.0484846 -0.1203226 0.1203226 0.7714760 5 H 0.6167997 -0.3173939 -0.1754115 -0.3173939 0.6167997 0.1754115 -0.2024004 0.2024004 0.2644487 6 H 0.6167997 0.3173939 0.1754115 0.3173939 0.6167997 0.1754115 0.2024004 0.2024004 0.2644487 7 H 0.6167997 0.3173939 -0.1754115 0.3173939 0.6167997 -0.1754115 -0.2024004 -0.2024004 0.2644487 8 H 0.6167997 -0.3173939 0.1754115 -0.3173939 0.6167997 -0.1754115 0.2024004 -0.2024004 0.2644487 9 C 1.3577588 1.0846081 0.0000000 1.0846081 1.3577588 0.0000000 0.0000000 0.0000000 2.8359747 10 C 1.3577588 -1.0846081 0.0000000 -1.0846081 1.3577588 0.0000000 0.0000000 0.0000000 2.8359747 11 N -1.1342242 -0.4945309 0.2436812 -0.4945309 -1.1342242 0.2436812 0.2487470 0.2487470 -1.1018914 12 N -1.1342242 0.4945309 -0.2436812 0.4945309 -1.1342242 0.2436812 -0.2487470 0.2487470 -1.1018914 13 N -1.1342242 -0.4945309 -0.2436812 -0.4945309 -1.1342242 -0.2436812 -0.2487470 -0.2487470 -1.1018914 14 N -1.1342242 0.4945309 0.2436812 0.4945309 -1.1342242 -0.2436812 0.2487470 -0.2487470 -1.1018914 15 O -0.9675720 -0.1600654 0.0000000 -0.1600654 -0.9675720 0.0000000 0.0000000 0.0000000 -2.7040413 16 O -0.9675720 0.1600654 0.0000000 0.1600654 -0.9675720 0.0000000 0.0000000 0.0000000 -2.7040413----------------------------------------------------------------------------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: 1278Number of blocks in projector: 1278Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 296Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 206Use standard eigh solver.Tree of FC basis block matrices:- (1278, 1257), data: False|-- (206, 201), data: True|-- (280, 275), data: True|-- (296, 291), data: True|-- (496, 490), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 0.351Solver_block: 200 / 240 - Time: 0.332Solver_block: 240 / 240 - Time: 0.184Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.890--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1278Number of blocks in projector: 1278Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 296Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 206Use standard eigh solver.Tree of FC basis block matrices:- (1278, 1257), data: False|-- (206, 201), data: True|-- (280, 275), data: True|-- (296, 291), data: True|-- (496, 490), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 05:36:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:36:45]-------------------------Compiled with OpenMP support (max 48 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 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-42_1m (113)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.507156600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.507156600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.608808610000000Atomic positions (fractional): 1 H 0.64361161537112 0.85638838462888 0.95504547489211 1.008 2 H 0.85638838462888 0.35638838462888 0.04495452510789 1.008 3 H 0.14361161537112 0.64361161537112 0.04495452510789 1.008 4 H 0.35638838462888 0.14361161537112 0.95504547489211 1.008 5 H 0.23617899837101 0.26382100162899 0.28267500743013 1.008 6 H 0.73617899837101 0.23617899837101 0.71732499256988 1.008 7 H 0.26382100162899 0.76382100162899 0.71732499256988 1.008 8 H 0.76382100162899 0.73617899837101 0.28267500743013 1.008 9 C 0.00000000000000 0.50000000000000 0.67136682304551 12.011 10 C 0.50000000000000 0.00000000000000 0.32863317695449 12.011 11 N 0.85255592999658 0.35255592999658 0.82240779856529 14.007 12 N 0.35255592999658 0.14744407000342 0.17759220143471 14.007 13 N 0.14744407000342 0.64744407000342 0.82240779856529 14.007 14 N 0.64744407000342 0.85255592999658 0.17759220143471 14.007 15 O 0.50000000000000 0.00000000000000 0.60650061854683 15.999 16 O 0.00000000000000 0.50000000000000 0.39349938145317 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.014313200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014313200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.217617219999999Atomic positions (fractional): 1 H 0.32180580768556 0.42819419231444 0.47752273744606 1.008 > 1 2 H 0.82180580768556 0.42819419231444 0.47752273744606 1.008 > 1 3 H 0.32180580768556 0.92819419231444 0.47752273744606 1.008 > 1 4 H 0.82180580768556 0.92819419231444 0.47752273744606 1.008 > 1 5 H 0.32180580768556 0.42819419231444 0.97752273744606 1.008 > 1 6 H 0.82180580768556 0.42819419231444 0.97752273744606 1.008 > 1 7 H 0.32180580768556 0.92819419231444 0.97752273744606 1.008 > 1 8 H 0.82180580768556 0.92819419231444 0.97752273744606 1.008 > 1 9 H 0.42819419231444 0.17819419231444 0.02247726255394 1.008 > 9 10 H 0.92819419231444 0.17819419231444 0.02247726255394 1.008 > 9 11 H 0.42819419231444 0.67819419231444 0.02247726255394 1.008 > 9 12 H 0.92819419231444 0.67819419231444 0.02247726255394 1.008 > 9 13 H 0.42819419231444 0.17819419231444 0.52247726255394 1.008 > 9 14 H 0.92819419231444 0.17819419231444 0.52247726255394 1.008 > 9 15 H 0.42819419231444 0.67819419231444 0.52247726255394 1.008 > 9 16 H 0.92819419231444 0.67819419231444 0.52247726255394 1.008 > 9 17 H 0.07180580768556 0.32180580768556 0.02247726255394 1.008 > 17 18 H 0.57180580768556 0.32180580768556 0.02247726255394 1.008 > 17 19 H 0.07180580768556 0.82180580768556 0.02247726255394 1.008 > 17 20 H 0.57180580768556 0.82180580768556 0.02247726255394 1.008 > 17 21 H 0.07180580768556 0.32180580768556 0.52247726255394 1.008 > 17 22 H 0.57180580768556 0.32180580768556 0.52247726255394 1.008 > 17 23 H 0.07180580768556 0.82180580768556 0.52247726255394 1.008 > 17 24 H 0.57180580768556 0.82180580768556 0.52247726255394 1.008 > 17 25 H 0.17819419231444 0.07180580768556 0.47752273744606 1.008 > 25 26 H 0.67819419231444 0.07180580768556 0.47752273744606 1.008 > 25 27 H 0.17819419231444 0.57180580768556 0.47752273744606 1.008 > 25 28 H 0.67819419231444 0.57180580768556 0.47752273744606 1.008 > 25 29 H 0.17819419231444 0.07180580768556 0.97752273744606 1.008 > 25 30 H 0.67819419231444 0.07180580768556 0.97752273744606 1.008 > 25 31 H 0.17819419231444 0.57180580768556 0.97752273744606 1.008 > 25 32 H 0.67819419231444 0.57180580768556 0.97752273744606 1.008 > 25 33 H 0.11808949918550 0.13191050081450 0.14133750371506 1.008 > 33 34 H 0.61808949918550 0.13191050081450 0.14133750371506 1.008 > 33 35 H 0.11808949918550 0.63191050081450 0.14133750371506 1.008 > 33 36 H 0.61808949918550 0.63191050081450 0.14133750371506 1.008 > 33 37 H 0.11808949918550 0.13191050081450 0.64133750371506 1.008 > 33 38 H 0.61808949918550 0.13191050081450 0.64133750371506 1.008 > 33 39 H 0.11808949918550 0.63191050081450 0.64133750371506 1.008 > 33 40 H 0.61808949918550 0.63191050081450 0.64133750371506 1.008 > 33 41 H 0.36808949918550 0.11808949918550 0.35866249628494 1.008 > 41 42 H 0.86808949918550 0.11808949918550 0.35866249628494 1.008 > 41 43 H 0.36808949918550 0.61808949918550 0.35866249628494 1.008 > 41 44 H 0.86808949918550 0.61808949918550 0.35866249628494 1.008 > 41 45 H 0.36808949918550 0.11808949918550 0.85866249628494 1.008 > 41 46 H 0.86808949918550 0.11808949918550 0.85866249628494 1.008 > 41 47 H 0.36808949918550 0.61808949918550 0.85866249628494 1.008 > 41 48 H 0.86808949918550 0.61808949918550 0.85866249628494 1.008 > 41 49 H 0.13191050081450 0.38191050081450 0.35866249628494 1.008 > 49 50 H 0.63191050081450 0.38191050081450 0.35866249628494 1.008 > 49 51 H 0.13191050081450 0.88191050081450 0.35866249628494 1.008 > 49 52 H 0.63191050081450 0.88191050081450 0.35866249628494 1.008 > 49 53 H 0.13191050081450 0.38191050081450 0.85866249628494 1.008 > 49 54 H 0.63191050081450 0.38191050081450 0.85866249628494 1.008 > 49 55 H 0.13191050081450 0.88191050081450 0.85866249628494 1.008 > 49 56 H 0.63191050081450 0.88191050081450 0.85866249628494 1.008 > 49 57 H 0.38191050081450 0.36808949918550 0.14133750371506 1.008 > 57 58 H 0.88191050081450 0.36808949918550 0.14133750371506 1.008 > 57 59 H 0.38191050081450 0.86808949918550 0.14133750371506 1.008 > 57 60 H 0.88191050081450 0.86808949918550 0.14133750371506 1.008 > 57 61 H 0.38191050081450 0.36808949918550 0.64133750371506 1.008 > 57 62 H 0.88191050081450 0.36808949918550 0.64133750371506 1.008 > 57 63 H 0.38191050081450 0.86808949918550 0.64133750371506 1.008 > 57 64 H 0.88191050081450 0.86808949918550 0.64133750371506 1.008 > 57 65 C 0.00000000000000 0.25000000000000 0.33568341152276 12.011 > 65 66 C 0.50000000000000 0.25000000000000 0.33568341152276 12.011 > 65 67 C 0.00000000000000 0.75000000000000 0.33568341152276 12.011 > 65 68 C 0.50000000000000 0.75000000000000 0.33568341152276 12.011 > 65 69 C 0.00000000000000 0.25000000000000 0.83568341152276 12.011 > 65 70 C 0.50000000000000 0.25000000000000 0.83568341152276 12.011 > 65 71 C 0.00000000000000 0.75000000000000 0.83568341152276 12.011 > 65 72 C 0.50000000000000 0.75000000000000 0.83568341152276 12.011 > 65 73 C 0.25000000000000 0.00000000000000 0.16431658847724 12.011 > 73 74 C 0.75000000000000 0.00000000000000 0.16431658847724 12.011 > 73 75 C 0.25000000000000 0.50000000000000 0.16431658847724 12.011 > 73 76 C 0.75000000000000 0.50000000000000 0.16431658847724 12.011 > 73 77 C 0.25000000000000 0.00000000000000 0.66431658847724 12.011 > 73 78 C 0.75000000000000 0.00000000000000 0.66431658847724 12.011 > 73 79 C 0.25000000000000 0.50000000000000 0.66431658847724 12.011 > 73 80 C 0.75000000000000 0.50000000000000 0.66431658847724 12.011 > 73 81 N 0.42627796499829 0.17627796499829 0.41120389928264 14.007 > 81 82 N 0.92627796499829 0.17627796499829 0.41120389928264 14.007 > 81 83 N 0.42627796499829 0.67627796499829 0.41120389928264 14.007 > 81 84 N 0.92627796499829 0.67627796499829 0.41120389928264 14.007 > 81 85 N 0.42627796499829 0.17627796499829 0.91120389928264 14.007 > 81 86 N 0.92627796499829 0.17627796499829 0.91120389928264 14.007 > 81 87 N 0.42627796499829 0.67627796499829 0.91120389928264 14.007 > 81 88 N 0.92627796499829 0.67627796499829 0.91120389928264 14.007 > 81 89 N 0.17627796499829 0.07372203500171 0.08879610071736 14.007 > 89 90 N 0.67627796499829 0.07372203500171 0.08879610071736 14.007 > 89 91 N 0.17627796499829 0.57372203500171 0.08879610071736 14.007 > 89 92 N 0.67627796499829 0.57372203500171 0.08879610071736 14.007 > 89 93 N 0.17627796499829 0.07372203500171 0.58879610071736 14.007 > 89 94 N 0.67627796499829 0.07372203500171 0.58879610071736 14.007 > 89 95 N 0.17627796499829 0.57372203500171 0.58879610071736 14.007 > 89 96 N 0.67627796499829 0.57372203500171 0.58879610071736 14.007 > 89 97 N 0.07372203500171 0.32372203500171 0.41120389928264 14.007 > 97 98 N 0.57372203500171 0.32372203500171 0.41120389928264 14.007 > 97 99 N 0.07372203500171 0.82372203500171 0.41120389928264 14.007 > 97 100 N 0.57372203500171 0.82372203500171 0.41120389928264 14.007 > 97 101 N 0.07372203500171 0.32372203500171 0.91120389928264 14.007 > 97 102 N 0.57372203500171 0.32372203500171 0.91120389928264 14.007 > 97 103 N 0.07372203500171 0.82372203500171 0.91120389928264 14.007 > 97 104 N 0.57372203500171 0.82372203500171 0.91120389928264 14.007 > 97 105 N 0.32372203500171 0.42627796499829 0.08879610071736 14.007 > 105 106 N 0.82372203500171 0.42627796499829 0.08879610071736 14.007 > 105 107 N 0.32372203500171 0.92627796499829 0.08879610071736 14.007 > 105 108 N 0.82372203500171 0.92627796499829 0.08879610071736 14.007 > 105 109 N 0.32372203500171 0.42627796499829 0.58879610071736 14.007 > 105 110 N 0.82372203500171 0.42627796499829 0.58879610071736 14.007 > 105 111 N 0.32372203500171 0.92627796499829 0.58879610071736 14.007 > 105 112 N 0.82372203500171 0.92627796499829 0.58879610071736 14.007 > 105 113 O 0.25000000000000 0.00000000000000 0.30325030927341 15.999 > 113 114 O 0.75000000000000 0.00000000000000 0.30325030927341 15.999 > 113 115 O 0.25000000000000 0.50000000000000 0.30325030927341 15.999 > 113 116 O 0.75000000000000 0.50000000000000 0.30325030927341 15.999 > 113 117 O 0.25000000000000 0.00000000000000 0.80325030927341 15.999 > 113 118 O 0.75000000000000 0.00000000000000 0.80325030927341 15.999 > 113 119 O 0.25000000000000 0.50000000000000 0.80325030927341 15.999 > 113 120 O 0.75000000000000 0.50000000000000 0.80325030927341 15.999 > 113 121 O 0.00000000000000 0.25000000000000 0.19674969072659 15.999 > 121 122 O 0.50000000000000 0.25000000000000 0.19674969072659 15.999 > 121 123 O 0.00000000000000 0.75000000000000 0.19674969072659 15.999 > 121 124 O 0.50000000000000 0.75000000000000 0.19674969072659 15.999 > 121 125 O 0.00000000000000 0.25000000000000 0.69674969072659 15.999 > 121 126 O 0.50000000000000 0.25000000000000 0.69674969072659 15.999 > 121 127 O 0.00000000000000 0.75000000000000 0.69674969072659 15.999 > 121 128 O 0.50000000000000 0.75000000000000 0.69674969072659 15.999 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.3552768 0.0000000 0.0000000 0.0000000 2.3552768 0.0000000 0.0000000 0.0000000 2.7556970-------------------------- Born effective charges -------------------------- 1 H 0.3223311 0.0732198 0.0484846 0.0732198 0.3223311 -0.0484846 0.1203226 -0.1203226 0.7714760 2 H 0.3223311 -0.0732198 0.0484846 -0.0732198 0.3223311 0.0484846 0.1203226 0.1203226 0.7714760 3 H 0.3223311 -0.0732198 -0.0484846 -0.0732198 0.3223311 -0.0484846 -0.1203226 -0.1203226 0.7714760 4 H 0.3223311 0.0732198 -0.0484846 0.0732198 0.3223311 0.0484846 -0.1203226 0.1203226 0.7714760 5 H 0.6167997 -0.3173939 -0.1754115 -0.3173939 0.6167997 0.1754115 -0.2024004 0.2024004 0.2644487 6 H 0.6167997 0.3173939 0.1754115 0.3173939 0.6167997 0.1754115 0.2024004 0.2024004 0.2644487 7 H 0.6167997 0.3173939 -0.1754115 0.3173939 0.6167997 -0.1754115 -0.2024004 -0.2024004 0.2644487 8 H 0.6167997 -0.3173939 0.1754115 -0.3173939 0.6167997 -0.1754115 0.2024004 -0.2024004 0.2644487 9 C 1.3577588 1.0846081 0.0000000 1.0846081 1.3577588 0.0000000 0.0000000 0.0000000 2.8359747 10 C 1.3577588 -1.0846081 0.0000000 -1.0846081 1.3577588 0.0000000 0.0000000 0.0000000 2.8359747 11 N -1.1342242 -0.4945309 0.2436812 -0.4945309 -1.1342242 0.2436812 0.2487470 0.2487470 -1.1018914 12 N -1.1342242 0.4945309 -0.2436812 0.4945309 -1.1342242 0.2436812 -0.2487470 0.2487470 -1.1018914 13 N -1.1342242 -0.4945309 -0.2436812 -0.4945309 -1.1342242 -0.2436812 -0.2487470 -0.2487470 -1.1018914 14 N -1.1342242 0.4945309 0.2436812 0.4945309 -1.1342242 -0.2436812 0.2487470 -0.2487470 -1.1018914 15 O -0.9675720 -0.1600654 0.0000000 -0.1600654 -0.9675720 0.0000000 0.0000000 0.0000000 -2.7040413 16 O -0.9675720 0.1600654 0.0000000 0.1600654 -0.9675720 0.0000000 0.0000000 0.0000000 -2.7040413----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 113, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000223 (zzz) -0.00000223 (zzz) -0.00000223 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000005 (zy) -0.00000005 (zy) 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 05:36:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:36:57]-------------------------Compiled with OpenMP support (max 48 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 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-42_1m (113)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.507156600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.507156600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.608808610000000Atomic positions (fractional): 1 H 0.64361161537112 0.85638838462888 0.95504547489211 1.008 2 H 0.85638838462888 0.35638838462888 0.04495452510789 1.008 3 H 0.14361161537112 0.64361161537112 0.04495452510789 1.008 4 H 0.35638838462888 0.14361161537112 0.95504547489211 1.008 5 H 0.23617899837101 0.26382100162899 0.28267500743013 1.008 6 H 0.73617899837101 0.23617899837101 0.71732499256988 1.008 7 H 0.26382100162899 0.76382100162899 0.71732499256988 1.008 8 H 0.76382100162899 0.73617899837101 0.28267500743013 1.008 9 C 0.00000000000000 0.50000000000000 0.67136682304551 12.011 10 C 0.50000000000000 0.00000000000000 0.32863317695449 12.011 11 N 0.85255592999658 0.35255592999658 0.82240779856529 14.007 12 N 0.35255592999658 0.14744407000342 0.17759220143471 14.007 13 N 0.14744407000342 0.64744407000342 0.82240779856529 14.007 14 N 0.64744407000342 0.85255592999658 0.17759220143471 14.007 15 O 0.50000000000000 0.00000000000000 0.60650061854683 15.999 16 O 0.00000000000000 0.50000000000000 0.39349938145317 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.014313200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.014313200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.217617219999999Atomic positions (fractional): 1 H 0.32180580768556 0.42819419231444 0.47752273744606 1.008 > 1 2 H 0.82180580768556 0.42819419231444 0.47752273744606 1.008 > 1 3 H 0.32180580768556 0.92819419231444 0.47752273744606 1.008 > 1 4 H 0.82180580768556 0.92819419231444 0.47752273744606 1.008 > 1 5 H 0.32180580768556 0.42819419231444 0.97752273744606 1.008 > 1 6 H 0.82180580768556 0.42819419231444 0.97752273744606 1.008 > 1 7 H 0.32180580768556 0.92819419231444 0.97752273744606 1.008 > 1 8 H 0.82180580768556 0.92819419231444 0.97752273744606 1.008 > 1 9 H 0.42819419231444 0.17819419231444 0.02247726255394 1.008 > 9 10 H 0.92819419231444 0.17819419231444 0.02247726255394 1.008 > 9 11 H 0.42819419231444 0.67819419231444 0.02247726255394 1.008 > 9 12 H 0.92819419231444 0.67819419231444 0.02247726255394 1.008 > 9 13 H 0.42819419231444 0.17819419231444 0.52247726255394 1.008 > 9 14 H 0.92819419231444 0.17819419231444 0.52247726255394 1.008 > 9 15 H 0.42819419231444 0.67819419231444 0.52247726255394 1.008 > 9 16 H 0.92819419231444 0.67819419231444 0.52247726255394 1.008 > 9 17 H 0.07180580768556 0.32180580768556 0.02247726255394 1.008 > 17 18 H 0.57180580768556 0.32180580768556 0.02247726255394 1.008 > 17 19 H 0.07180580768556 0.82180580768556 0.02247726255394 1.008 > 17 20 H 0.57180580768556 0.82180580768556 0.02247726255394 1.008 > 17 21 H 0.07180580768556 0.32180580768556 0.52247726255394 1.008 > 17 22 H 0.57180580768556 0.32180580768556 0.52247726255394 1.008 > 17 23 H 0.07180580768556 0.82180580768556 0.52247726255394 1.008 > 17 24 H 0.57180580768556 0.82180580768556 0.52247726255394 1.008 > 17 25 H 0.17819419231444 0.07180580768556 0.47752273744606 1.008 > 25 26 H 0.67819419231444 0.07180580768556 0.47752273744606 1.008 > 25 27 H 0.17819419231444 0.57180580768556 0.47752273744606 1.008 > 25 28 H 0.67819419231444 0.57180580768556 0.47752273744606 1.008 > 25 29 H 0.17819419231444 0.07180580768556 0.97752273744606 1.008 > 25 30 H 0.67819419231444 0.07180580768556 0.97752273744606 1.008 > 25 31 H 0.17819419231444 0.57180580768556 0.97752273744606 1.008 > 25 32 H 0.67819419231444 0.57180580768556 0.97752273744606 1.008 > 25 33 H 0.11808949918550 0.13191050081450 0.14133750371506 1.008 > 33 34 H 0.61808949918550 0.13191050081450 0.14133750371506 1.008 > 33 35 H 0.11808949918550 0.63191050081450 0.14133750371506 1.008 > 33 36 H 0.61808949918550 0.63191050081450 0.14133750371506 1.008 > 33 37 H 0.11808949918550 0.13191050081450 0.64133750371506 1.008 > 33 38 H 0.61808949918550 0.13191050081450 0.64133750371506 1.008 > 33 39 H 0.11808949918550 0.63191050081450 0.64133750371506 1.008 > 33 40 H 0.61808949918550 0.63191050081450 0.64133750371506 1.008 > 33 41 H 0.36808949918550 0.11808949918550 0.35866249628494 1.008 > 41 42 H 0.86808949918550 0.11808949918550 0.35866249628494 1.008 > 41 43 H 0.36808949918550 0.61808949918550 0.35866249628494 1.008 > 41 44 H 0.86808949918550 0.61808949918550 0.35866249628494 1.008 > 41 45 H 0.36808949918550 0.11808949918550 0.85866249628494 1.008 > 41 46 H 0.86808949918550 0.11808949918550 0.85866249628494 1.008 > 41 47 H 0.36808949918550 0.61808949918550 0.85866249628494 1.008 > 41 48 H 0.86808949918550 0.61808949918550 0.85866249628494 1.008 > 41 49 H 0.13191050081450 0.38191050081450 0.35866249628494 1.008 > 49 50 H 0.63191050081450 0.38191050081450 0.35866249628494 1.008 > 49 51 H 0.13191050081450 0.88191050081450 0.35866249628494 1.008 > 49 52 H 0.63191050081450 0.88191050081450 0.35866249628494 1.008 > 49 53 H 0.13191050081450 0.38191050081450 0.85866249628494 1.008 > 49 54 H 0.63191050081450 0.38191050081450 0.85866249628494 1.008 > 49 55 H 0.13191050081450 0.88191050081450 0.85866249628494 1.008 > 49 56 H 0.63191050081450 0.88191050081450 0.85866249628494 1.008 > 49 57 H 0.38191050081450 0.36808949918550 0.14133750371506 1.008 > 57 58 H 0.88191050081450 0.36808949918550 0.14133750371506 1.008 > 57 59 H 0.38191050081450 0.86808949918550 0.14133750371506 1.008 > 57 60 H 0.88191050081450 0.86808949918550 0.14133750371506 1.008 > 57 61 H 0.38191050081450 0.36808949918550 0.64133750371506 1.008 > 57 62 H 0.88191050081450 0.36808949918550 0.64133750371506 1.008 > 57 63 H 0.38191050081450 0.86808949918550 0.64133750371506 1.008 > 57 64 H 0.88191050081450 0.86808949918550 0.64133750371506 1.008 > 57 65 C 0.00000000000000 0.25000000000000 0.33568341152276 12.011 > 65 66 C 0.50000000000000 0.25000000000000 0.33568341152276 12.011 > 65 67 C 0.00000000000000 0.75000000000000 0.33568341152276 12.011 > 65 68 C 0.50000000000000 0.75000000000000 0.33568341152276 12.011 > 65 69 C 0.00000000000000 0.25000000000000 0.83568341152276 12.011 > 65 70 C 0.50000000000000 0.25000000000000 0.83568341152276 12.011 > 65 71 C 0.00000000000000 0.75000000000000 0.83568341152276 12.011 > 65 72 C 0.50000000000000 0.75000000000000 0.83568341152276 12.011 > 65 73 C 0.25000000000000 0.00000000000000 0.16431658847724 12.011 > 73 74 C 0.75000000000000 0.00000000000000 0.16431658847724 12.011 > 73 75 C 0.25000000000000 0.50000000000000 0.16431658847724 12.011 > 73 76 C 0.75000000000000 0.50000000000000 0.16431658847724 12.011 > 73 77 C 0.25000000000000 0.00000000000000 0.66431658847724 12.011 > 73 78 C 0.75000000000000 0.00000000000000 0.66431658847724 12.011 > 73 79 C 0.25000000000000 0.50000000000000 0.66431658847724 12.011 > 73 80 C 0.75000000000000 0.50000000000000 0.66431658847724 12.011 > 73 81 N 0.42627796499829 0.17627796499829 0.41120389928264 14.007 > 81 82 N 0.92627796499829 0.17627796499829 0.41120389928264 14.007 > 81 83 N 0.42627796499829 0.67627796499829 0.41120389928264 14.007 > 81 84 N 0.92627796499829 0.67627796499829 0.41120389928264 14.007 > 81 85 N 0.42627796499829 0.17627796499829 0.91120389928264 14.007 > 81 86 N 0.92627796499829 0.17627796499829 0.91120389928264 14.007 > 81 87 N 0.42627796499829 0.67627796499829 0.91120389928264 14.007 > 81 88 N 0.92627796499829 0.67627796499829 0.91120389928264 14.007 > 81 89 N 0.17627796499829 0.07372203500171 0.08879610071736 14.007 > 89 90 N 0.67627796499829 0.07372203500171 0.08879610071736 14.007 > 89 91 N 0.17627796499829 0.57372203500171 0.08879610071736 14.007 > 89 92 N 0.67627796499829 0.57372203500171 0.08879610071736 14.007 > 89 93 N 0.17627796499829 0.07372203500171 0.58879610071736 14.007 > 89 94 N 0.67627796499829 0.07372203500171 0.58879610071736 14.007 > 89 95 N 0.17627796499829 0.57372203500171 0.58879610071736 14.007 > 89 96 N 0.67627796499829 0.57372203500171 0.58879610071736 14.007 > 89 97 N 0.07372203500171 0.32372203500171 0.41120389928264 14.007 > 97 98 N 0.57372203500171 0.32372203500171 0.41120389928264 14.007 > 97 99 N 0.07372203500171 0.82372203500171 0.41120389928264 14.007 > 97 100 N 0.57372203500171 0.82372203500171 0.41120389928264 14.007 > 97 101 N 0.07372203500171 0.32372203500171 0.91120389928264 14.007 > 97 102 N 0.57372203500171 0.32372203500171 0.91120389928264 14.007 > 97 103 N 0.07372203500171 0.82372203500171 0.91120389928264 14.007 > 97 104 N 0.57372203500171 0.82372203500171 0.91120389928264 14.007 > 97 105 N 0.32372203500171 0.42627796499829 0.08879610071736 14.007 > 105 106 N 0.82372203500171 0.42627796499829 0.08879610071736 14.007 > 105 107 N 0.32372203500171 0.92627796499829 0.08879610071736 14.007 > 105 108 N 0.82372203500171 0.92627796499829 0.08879610071736 14.007 > 105 109 N 0.32372203500171 0.42627796499829 0.58879610071736 14.007 > 105 110 N 0.82372203500171 0.42627796499829 0.58879610071736 14.007 > 105 111 N 0.32372203500171 0.92627796499829 0.58879610071736 14.007 > 105 112 N 0.82372203500171 0.92627796499829 0.58879610071736 14.007 > 105 113 O 0.25000000000000 0.00000000000000 0.30325030927341 15.999 > 113 114 O 0.75000000000000 0.00000000000000 0.30325030927341 15.999 > 113 115 O 0.25000000000000 0.50000000000000 0.30325030927341 15.999 > 113 116 O 0.75000000000000 0.50000000000000 0.30325030927341 15.999 > 113 117 O 0.25000000000000 0.00000000000000 0.80325030927341 15.999 > 113 118 O 0.75000000000000 0.00000000000000 0.80325030927341 15.999 > 113 119 O 0.25000000000000 0.50000000000000 0.80325030927341 15.999 > 113 120 O 0.75000000000000 0.50000000000000 0.80325030927341 15.999 > 113 121 O 0.00000000000000 0.25000000000000 0.19674969072659 15.999 > 121 122 O 0.50000000000000 0.25000000000000 0.19674969072659 15.999 > 121 123 O 0.00000000000000 0.75000000000000 0.19674969072659 15.999 > 121 124 O 0.50000000000000 0.75000000000000 0.19674969072659 15.999 > 121 125 O 0.00000000000000 0.25000000000000 0.69674969072659 15.999 > 121 126 O 0.50000000000000 0.25000000000000 0.69674969072659 15.999 > 121 127 O 0.00000000000000 0.75000000000000 0.69674969072659 15.999 > 121 128 O 0.50000000000000 0.75000000000000 0.69674969072659 15.999 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.3552768 0.0000000 0.0000000 0.0000000 2.3552768 0.0000000 0.0000000 0.0000000 2.7556970-------------------------- Born effective charges -------------------------- 1 H 0.3223311 0.0732198 0.0484846 0.0732198 0.3223311 -0.0484846 0.1203226 -0.1203226 0.7714760 2 H 0.3223311 -0.0732198 0.0484846 -0.0732198 0.3223311 0.0484846 0.1203226 0.1203226 0.7714760 3 H 0.3223311 -0.0732198 -0.0484846 -0.0732198 0.3223311 -0.0484846 -0.1203226 -0.1203226 0.7714760 4 H 0.3223311 0.0732198 -0.0484846 0.0732198 0.3223311 0.0484846 -0.1203226 0.1203226 0.7714760 5 H 0.6167997 -0.3173939 -0.1754115 -0.3173939 0.6167997 0.1754115 -0.2024004 0.2024004 0.2644487 6 H 0.6167997 0.3173939 0.1754115 0.3173939 0.6167997 0.1754115 0.2024004 0.2024004 0.2644487 7 H 0.6167997 0.3173939 -0.1754115 0.3173939 0.6167997 -0.1754115 -0.2024004 -0.2024004 0.2644487 8 H 0.6167997 -0.3173939 0.1754115 -0.3173939 0.6167997 -0.1754115 0.2024004 -0.2024004 0.2644487 9 C 1.3577588 1.0846081 0.0000000 1.0846081 1.3577588 0.0000000 0.0000000 0.0000000 2.8359747 10 C 1.3577588 -1.0846081 0.0000000 -1.0846081 1.3577588 0.0000000 0.0000000 0.0000000 2.8359747 11 N -1.1342242 -0.4945309 0.2436812 -0.4945309 -1.1342242 0.2436812 0.2487470 0.2487470 -1.1018914 12 N -1.1342242 0.4945309 -0.2436812 0.4945309 -1.1342242 0.2436812 -0.2487470 0.2487470 -1.1018914 13 N -1.1342242 -0.4945309 -0.2436812 -0.4945309 -1.1342242 -0.2436812 -0.2487470 -0.2487470 -1.1018914 14 N -1.1342242 0.4945309 0.2436812 0.4945309 -1.1342242 -0.2436812 0.2487470 -0.2487470 -1.1018914 15 O -0.9675720 -0.1600654 0.0000000 -0.1600654 -0.9675720 0.0000000 0.0000000 0.0000000 -2.7040413 16 O -0.9675720 0.1600654 0.0000000 0.1600654 -0.9675720 0.0000000 0.0000000 0.0000000 -2.7040413----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000223 (zzz) -0.00000223 (zzz) -0.00000223 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 9 11 ]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: 0.80, Number of G-points: 307, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/90) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 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 2.047 ( -0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 3.390 ( -0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 5.283 ( -0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 6.318 ( -0.000 0.000 0.000) 0.000 6.318 ( -0.000 0.000 0.000) 0.000 13.343 ( 0.000 0.000 0.000) 0.000 16.553 ( 0.000 0.000 0.000) 0.000 16.553 ( 0.000 0.000 0.000) 0.000 16.676 ( -0.000 -0.000 0.000) 0.000 17.139 ( 0.000 0.000 0.000) 0.000 17.139 ( -0.000 0.000 0.000) 0.000 17.407 ( -0.000 -0.000 0.000) 0.000 18.506 ( 0.000 0.000 0.000) 0.000 20.011 ( 0.000 0.000 0.000) 0.000 21.616 ( 0.000 0.000 0.000) 0.000 22.775 ( 0.000 0.000 0.000) 0.000 22.775 ( 0.000 0.000 0.000) 0.000 24.105 ( -0.000 0.000 0.000) 0.000 24.105 ( 0.000 0.000 0.000) 0.000 30.577 ( 0.000 0.000 0.000) 0.000 30.604 ( 0.000 0.000 0.000) 0.000 32.074 ( 0.000 0.000 0.000) 0.000 32.074 ( 0.000 -0.000 0.000) 0.000 33.654 ( 0.000 0.000 0.000) 0.000 34.872 ( 0.000 0.000 0.000) 0.000 44.160 ( 0.000 0.000 0.000) 0.000 44.160 ( -0.000 -0.000 0.000) 0.000 44.772 ( -0.000 0.000 0.000) 0.000 46.663 ( 0.000 0.000 0.000) 0.000 48.011 ( 0.000 -0.000 0.000) 0.000 48.011 ( 0.000 0.000 0.000) 0.000 48.120 ( -0.000 0.000 0.000) 0.000 49.281 ( 0.000 0.000 0.000) 0.000 97.501 ( -0.000 0.000 0.000) 0.000 97.501 ( 0.000 0.000 0.000) 0.000 98.557 ( -0.000 0.000 0.000) 0.000 98.635 ( 0.000 0.000 0.000) 0.000 101.619 ( 0.000 0.000 0.000) 0.000 101.619 ( 0.000 0.000 0.000) 0.000 101.679 ( 0.000 0.000 0.000) 0.000 102.904 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/90) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( 27.303 0.000 0.000) 27.303 0.692 ( 33.702 0.000 0.000) 33.702 0.777 ( 36.528 0.000 0.000) 36.528 2.057 ( 0.985 0.000 0.000) 0.985 2.419 ( -1.319 0.000 0.000) 1.319 3.375 ( -1.575 0.000 0.000) 1.575 3.401 ( -2.833 0.000 0.000) 2.833 3.835 ( -9.253 0.000 0.000) 9.253 5.322 ( 3.804 0.000 0.000) 3.804 5.372 ( 3.953 0.000 0.000) 3.953 6.300 ( -1.755 0.000 0.000) 1.755 7.029 ( -3.856 0.000 0.000) 3.856 13.470 ( 12.406 0.000 0.000) 12.406 16.534 ( -1.838 0.000 0.000) 1.838 16.544 ( -1.003 0.000 0.000) 1.003 16.719 ( 3.575 0.000 0.000) 3.575 17.046 ( -9.044 0.000 0.000) 9.044 17.383 ( -2.355 0.000 0.000) 2.355 18.530 ( 2.343 0.000 0.000) 2.343 19.317 ( -2.506 0.000 0.000) 2.506 20.021 ( 1.052 0.000 0.000) 1.052 21.474 ( -12.915 0.000 0.000) 12.915 22.789 ( 0.709 0.000 0.000) 0.709 22.819 ( 3.552 0.000 0.000) 3.552 24.134 ( 2.646 0.000 0.000) 2.646 24.161 ( 0.971 0.000 0.000) 0.971 30.582 ( 0.454 0.000 0.000) 0.454 30.607 ( 0.273 0.000 0.000) 0.273 32.064 ( -0.910 0.000 0.000) 0.910 32.111 ( -0.860 0.000 0.000) 0.860 33.698 ( 4.271 0.000 0.000) 4.271 34.841 ( -3.021 0.000 0.000) 3.021 44.171 ( 1.021 0.000 0.000) 1.021 44.224 ( -0.583 0.000 0.000) 0.583 44.831 ( 5.665 0.000 0.000) 5.665 46.594 ( -6.666 0.000 0.000) 6.666 48.051 ( 3.784 0.000 0.000) 3.784 48.149 ( 2.813 0.000 0.000) 2.813 49.097 ( -1.634 0.000 0.000) 1.634 49.253 ( -2.689 0.000 0.000) 2.689 97.529 ( 2.797 0.000 0.000) 2.797 98.295 ( 0.631 0.000 0.000) 0.631 98.524 ( -3.176 0.000 0.000) 3.176 98.624 ( -1.053 0.000 0.000) 1.053 101.621 ( 0.142 0.000 0.000) 0.142 101.676 ( -0.205 0.000 0.000) 0.205 102.200 ( 2.637 0.000 0.000) 2.637 102.885 ( -1.885 0.000 0.000) 1.885======================= Grid point 2 (3/90) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 26.762 0.000 0.000) 26.762 1.346 ( 30.696 0.000 0.000) 30.696 1.467 ( 30.888 0.000 0.000) 30.888 2.084 ( 1.677 0.000 0.000) 1.677 2.391 ( -0.959 0.000 0.000) 0.959 3.307 ( -6.974 0.000 0.000) 6.974 3.318 ( -4.289 0.000 0.000) 4.289 3.587 ( -14.408 0.000 0.000) 14.408 5.432 ( 6.874 0.000 0.000) 6.874 5.471 ( 5.489 0.000 0.000) 5.489 6.255 ( -2.293 0.000 0.000) 2.293 6.913 ( -7.658 0.000 0.000) 7.658 13.830 ( 22.849 0.000 0.000) 22.849 16.496 ( -5.095 0.000 0.000) 5.095 16.503 ( -1.050 0.000 0.000) 1.050 16.796 ( -14.328 0.000 0.000) 14.328 16.802 ( 4.490 0.000 0.000) 4.490 17.315 ( -4.224 0.000 0.000) 4.224 18.597 ( 4.186 0.000 0.000) 4.186 19.240 ( -5.016 0.000 0.000) 5.016 20.059 ( 2.894 0.000 0.000) 2.894 21.152 ( -17.679 0.000 0.000) 17.679 22.811 ( 1.427 0.000 0.000) 1.427 22.887 ( 2.781 0.000 0.000) 2.781 24.189 ( 1.709 0.000 0.000) 1.709 24.198 ( 3.304 0.000 0.000) 3.304 30.594 ( 0.763 0.000 0.000) 0.763 30.614 ( 0.443 0.000 0.000) 0.443 32.041 ( -1.217 0.000 0.000) 1.217 32.087 ( -1.468 0.000 0.000) 1.468 33.820 ( 7.695 0.000 0.000) 7.695 34.751 ( -5.905 0.000 0.000) 5.905 44.197 ( 1.364 0.000 0.000) 1.364 44.214 ( -0.259 0.000 0.000) 0.259 44.992 ( 10.065 0.000 0.000) 10.065 46.406 ( -11.604 0.000 0.000) 11.604 48.152 ( 5.941 0.000 0.000) 5.941 48.227 ( 4.729 0.000 0.000) 4.729 49.050 ( -2.909 0.000 0.000) 2.909 49.177 ( -4.705 0.000 0.000) 4.705 97.612 ( 5.328 0.000 0.000) 5.328 98.306 ( -0.080 0.000 0.000) 0.080 98.440 ( -4.500 0.000 0.000) 4.500 98.593 ( -1.943 0.000 0.000) 1.943 101.625 ( 0.282 0.000 0.000) 0.282 101.671 ( -0.371 0.000 0.000) 0.371 102.276 ( 4.702 0.000 0.000) 4.702 102.829 ( -3.590 0.000 0.000) 3.590======================= Grid point 3 (4/90) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 26.069 0.000 0.000) 26.069 1.898 ( 21.584 0.000 0.000) 21.584 1.966 ( 16.212 0.000 0.000) 16.212 2.140 ( 5.702 0.000 0.000) 5.702 2.426 ( 6.498 0.000 0.000) 6.498 3.079 ( -16.357 0.000 0.000) 16.357 3.194 ( -8.082 0.000 0.000) 8.082 3.312 ( -11.725 0.000 0.000) 11.725 5.580 ( 5.042 0.000 0.000) 5.042 5.581 ( 7.121 0.000 0.000) 7.121 6.227 ( 0.221 0.000 0.000) 0.221 6.725 ( -10.762 0.000 0.000) 10.762 14.369 ( 29.913 0.000 0.000) 29.913 16.217 ( -23.016 0.000 0.000) 23.016 16.494 ( 0.162 0.000 0.000) 0.162 16.597 ( -4.514 0.000 0.000) 4.514 16.897 ( 4.878 0.000 0.000) 4.878 17.218 ( -5.284 0.000 0.000) 5.284 18.697 ( 5.721 0.000 0.000) 5.721 19.119 ( -6.848 0.000 0.000) 6.848 20.143 ( 5.524 0.000 0.000) 5.524 20.801 ( -16.482 0.000 0.000) 16.482 22.845 ( 1.958 0.000 0.000) 1.958 22.922 ( 0.677 0.000 0.000) 0.677 24.227 ( 1.930 0.000 0.000) 1.930 24.254 ( 2.021 0.000 0.000) 2.021 30.610 ( 0.777 0.000 0.000) 0.777 30.623 ( 0.379 0.000 0.000) 0.379 32.020 ( -0.770 0.000 0.000) 0.770 32.055 ( -1.584 0.000 0.000) 1.584 33.999 ( 9.837 0.000 0.000) 9.837 34.606 ( -8.372 0.000 0.000) 8.372 44.215 ( 0.342 0.000 0.000) 0.342 44.221 ( 0.882 0.000 0.000) 0.882 45.229 ( 13.226 0.000 0.000) 13.226 46.139 ( -14.543 0.000 0.000) 14.543 48.277 ( 6.036 0.000 0.000) 6.036 48.327 ( 4.777 0.000 0.000) 4.777 48.987 ( -3.059 0.000 0.000) 3.059 49.072 ( -5.358 0.000 0.000) 5.358 97.741 ( 7.328 0.000 0.000) 7.328 98.239 ( -6.720 0.000 0.000) 6.720 98.401 ( 0.911 0.000 0.000) 0.911 98.548 ( -2.540 0.000 0.000) 2.540 101.632 ( 0.409 0.000 0.000) 0.409 101.662 ( -0.481 0.000 0.000) 0.481 102.384 ( 5.910 0.000 0.000) 5.910 102.742 ( -4.967 0.000 0.000) 4.967======================= Grid point 4 (5/90) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( 9.724 0.000 0.000) 9.724 2.086 ( 2.229 0.000 0.000) 2.229 2.141 ( 15.144 0.000 0.000) 15.144 2.389 ( 8.622 0.000 0.000) 8.622 2.634 ( 8.464 0.000 0.000) 8.464 2.716 ( -14.352 0.000 0.000) 14.352 3.021 ( -6.182 0.000 0.000) 6.182 3.095 ( -10.017 0.000 0.000) 10.017 5.664 ( 2.959 0.000 0.000) 2.959 5.680 ( 1.984 0.000 0.000) 1.984 6.297 ( 7.093 0.000 0.000) 7.093 6.494 ( -11.471 0.000 0.000) 11.471 15.009 ( 32.757 0.000 0.000) 32.757 15.659 ( -30.911 0.000 0.000) 30.911 16.508 ( 1.191 0.000 0.000) 1.191 16.540 ( -1.992 0.000 0.000) 1.992 16.999 ( 5.234 0.000 0.000) 5.234 17.108 ( -5.509 0.000 0.000) 5.509 18.825 ( 6.944 0.000 0.000) 6.944 18.972 ( -7.461 0.000 0.000) 7.461 20.287 ( 8.825 0.000 0.000) 8.825 20.504 ( -12.756 0.000 0.000) 12.756 22.886 ( 1.932 0.000 0.000) 1.932 22.917 ( -1.052 0.000 0.000) 1.052 24.261 ( 1.354 0.000 0.000) 1.354 24.275 ( 0.103 0.000 0.000) 0.103 30.623 ( 0.455 0.000 0.000) 0.455 30.628 ( 0.027 0.000 0.000) 0.027 32.014 ( 0.161 0.000 0.000) 0.161 32.027 ( -1.092 0.000 0.000) 1.092 34.208 ( 10.599 0.000 0.000) 10.599 34.418 ( -10.046 0.000 0.000) 10.046 44.224 ( 0.485 0.000 0.000) 0.485 44.230 ( 0.043 0.000 0.000) 0.043 45.517 ( 15.164 0.000 0.000) 15.164 45.831 ( -15.673 0.000 0.000) 15.673 48.378 ( 3.455 0.000 0.000) 3.455 48.398 ( 1.625 0.000 0.000) 1.625 48.945 ( -0.574 0.000 0.000) 0.574 48.977 ( -3.615 0.000 0.000) 3.615 97.902 ( 8.539 0.000 0.000) 8.539 98.078 ( -8.669 0.000 0.000) 8.669 98.439 ( 2.492 0.000 0.000) 2.492 98.493 ( -2.757 0.000 0.000) 2.757 101.641 ( 0.498 0.000 0.000) 0.498 101.652 ( -0.525 0.000 0.000) 0.525 102.508 ( 6.263 0.000 0.000) 6.263 102.632 ( -5.898 0.000 0.000) 5.898======================= Grid point 10 (6/90) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( 8.970 8.970 0.000) 12.686 0.761 ( 18.914 18.914 0.000) 26.748 1.361 ( 31.306 31.306 0.000) 44.274 2.053 ( 0.245 0.245 0.000) 0.347 2.403 ( -1.444 -1.444 0.000) 2.043 3.325 ( -5.486 -5.486 0.000) 7.758 3.413 ( 1.121 1.121 0.000) 1.585 3.756 ( -7.690 -7.690 0.000) 10.875 5.266 ( -0.952 -0.952 0.000) 1.346 5.504 ( 7.414 7.414 0.000) 10.485 6.363 ( 1.967 1.967 0.000) 2.782 6.875 ( -9.126 -9.126 0.000) 12.906 13.589 ( 11.655 11.655 0.000) 16.483 16.516 ( -1.227 -1.227 0.000) 1.736 16.538 ( -0.807 -0.807 0.000) 1.142 16.744 ( 2.345 2.345 0.000) 3.317 17.006 ( -6.548 -6.548 0.000) 9.260 17.364 ( -1.850 -1.850 0.000) 2.617 18.554 ( 2.294 2.294 0.000) 3.244 19.341 ( -0.150 -0.150 0.000) 0.212 19.941 ( -3.062 -3.062 0.000) 4.331 21.350 ( -11.529 -11.529 0.000) 16.305 22.783 ( 0.030 0.030 0.000) 0.042 22.855 ( 2.614 2.614 0.000) 3.697 24.156 ( 0.221 0.221 0.000) 0.313 24.168 ( 2.638 2.638 0.000) 3.731 30.585 ( 0.375 0.375 0.000) 0.530 30.612 ( 0.466 0.466 0.000) 0.659 32.078 ( -1.671 -1.671 0.000) 2.363 32.081 ( 0.330 0.330 0.000) 0.467 33.740 ( 3.869 3.869 0.000) 5.472 34.811 ( -2.980 -2.980 0.000) 4.214 44.191 ( 1.423 1.423 0.000) 2.013 44.217 ( -0.338 -0.338 0.000) 0.478 44.881 ( 4.938 4.938 0.000) 6.984 46.543 ( -5.736 -5.736 0.000) 8.111 48.057 ( 2.200 2.200 0.000) 3.111 48.179 ( 2.907 2.907 0.000) 4.111 49.102 ( -0.688 -0.688 0.000) 0.973 49.231 ( -2.210 -2.210 0.000) 3.126 97.507 ( 0.251 0.251 0.000) 0.354 98.331 ( 1.081 1.081 0.000) 1.529 98.480 ( -3.276 -3.276 0.000) 4.632 98.643 ( 0.836 0.836 0.000) 1.183 101.622 ( 0.120 0.120 0.000) 0.169 101.674 ( -0.210 -0.210 0.000) 0.297 102.222 ( 2.238 2.238 0.000) 3.165 102.868 ( -1.804 -1.804 0.000) 2.551======================= Grid point 11 (7/90) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 28.986 -20.632 0.000) 35.579 1.199 ( 23.463 11.717 0.000) 26.226 1.953 ( 25.314 25.677 0.000) 36.057 2.072 ( 2.157 -0.489 0.000) 2.211 2.373 ( -0.738 -1.744 0.000) 1.894 3.175 ( -9.387 -8.568 0.000) 12.709 3.408 ( -2.648 3.925 0.000) 4.735 3.542 ( -12.433 -4.530 0.000) 13.233 5.291 ( 3.288 -6.506 0.000) 7.290 5.642 ( 5.912 8.929 0.000) 10.709 6.326 ( -4.359 5.895 0.000) 7.332 6.740 ( -5.236 -14.783 0.000) 15.683 13.928 ( 21.565 9.610 0.000) 23.609 16.485 ( -3.557 -0.648 0.000) 3.615 16.504 ( -2.047 -0.470 0.000) 2.101 16.779 ( -12.857 -2.523 0.000) 13.102 16.810 ( 2.750 0.415 0.000) 2.782 17.309 ( -3.546 -0.679 0.000) 3.610 18.620 ( 4.218 2.284 0.000) 4.797 19.282 ( -5.102 3.317 0.000) 6.086 19.949 ( 3.160 -8.728 0.000) 9.283 21.053 ( -16.741 -9.422 0.000) 19.210 22.795 ( 1.079 -1.110 0.000) 1.548 22.902 ( 1.710 0.933 0.000) 1.948 24.172 ( 1.380 -0.694 0.000) 1.545 24.226 ( 2.746 1.877 0.000) 3.326 30.597 ( 0.747 0.325 0.000) 0.814 30.623 ( 0.608 0.778 0.000) 0.987 32.039 ( -1.514 -0.509 0.000) 1.597 32.086 ( -0.341 0.369 0.000) 0.503 33.848 ( 6.797 2.640 0.000) 7.292 34.722 ( -5.789 -2.822 0.000) 6.440 44.212 ( 0.428 0.811 0.000) 0.917 44.223 ( 1.211 1.467 0.000) 1.902 45.025 ( 9.170 3.334 0.000) 9.758 46.368 ( -11.115 -4.094 0.000) 11.845 48.141 ( 5.615 -0.046 0.000) 5.616 48.259 ( 4.746 2.953 0.000) 5.590 49.063 ( -2.864 0.493 0.000) 2.906 49.167 ( -3.991 -0.938 0.000) 4.100 97.555 ( 4.168 -3.665 0.000) 5.550 98.291 ( -5.251 -4.679 0.000) 7.033 98.443 ( 0.248 3.178 0.000) 3.188 98.644 ( -0.769 3.329 0.000) 3.417 101.625 ( 0.229 0.047 0.000) 0.233 101.668 ( -0.379 -0.225 0.000) 0.441 102.288 ( 4.251 1.353 0.000) 4.461 102.813 ( -3.535 -1.646 0.000) 3.900======================= Grid point 12 (8/90) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 26.775 -23.389 0.000) 35.552 1.684 ( 24.186 7.483 0.000) 25.317 2.087 ( 0.990 -0.897 0.000) 1.336 2.256 ( 1.749 4.193 0.000) 4.543 2.530 ( 16.742 12.456 0.000) 20.867 2.945 ( -13.252 -10.886 0.000) 17.150 3.192 ( -15.752 -0.488 0.000) 15.760 3.385 ( -5.081 5.152 0.000) 7.236 5.390 ( 6.276 -9.995 0.000) 11.802 5.717 ( 0.717 4.312 0.000) 4.371 6.260 ( -0.651 2.669 0.000) 2.747 6.624 ( -6.664 -8.333 0.000) 10.670 14.438 ( 28.410 6.786 0.000) 29.209 16.220 ( -22.563 -0.153 0.000) 22.563 16.490 ( 0.012 -0.487 0.000) 0.488 16.585 ( -4.415 -1.441 0.000) 4.644 16.897 ( 4.880 0.161 0.000) 4.883 17.223 ( -4.886 0.385 0.000) 4.901 18.722 ( 5.899 2.501 0.000) 6.407 19.156 ( -7.048 3.432 0.000) 7.839 20.045 ( 6.176 -8.777 0.000) 10.732 20.713 ( -16.201 -8.331 0.000) 18.217 22.825 ( 1.857 -1.762 0.000) 2.559 22.919 ( -0.026 -0.527 0.000) 0.528 24.208 ( 2.021 -1.227 0.000) 2.364 24.268 ( 1.230 0.814 0.000) 1.475 30.614 ( 0.883 0.437 0.000) 0.985 30.634 ( 0.389 0.927 0.000) 1.005 32.019 ( -0.446 0.042 0.000) 0.448 32.069 ( -1.223 1.283 0.000) 1.773 34.009 ( 8.943 0.914 0.000) 8.989 34.581 ( -8.122 -2.457 0.000) 8.486 44.224 ( 0.766 1.041 0.000) 1.292 44.245 ( 0.736 2.071 0.000) 2.198 45.245 ( 12.392 1.607 0.000) 12.495 46.111 ( -13.982 -2.842 0.000) 14.268 48.265 ( 6.201 -0.631 0.000) 6.233 48.356 ( 4.379 2.532 0.000) 5.058 48.999 ( -3.096 0.784 0.000) 3.194 49.077 ( -4.674 0.529 0.000) 4.704 97.665 ( 6.540 -5.894 0.000) 8.804 98.151 ( -8.003 -7.599 0.000) 11.036 98.470 ( 2.032 5.924 0.000) 6.263 98.615 ( -1.949 4.949 0.000) 5.319 101.631 ( 0.351 -0.062 0.000) 0.357 101.659 ( -0.482 -0.236 0.000) 0.536 102.388 ( 5.459 0.416 0.000) 5.475 102.728 ( -4.843 -1.443 0.000) 5.053======================= Grid point 13 (9/90) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 15.499 -14.717 0.000) 21.373 2.080 ( -2.428 -3.167 0.000) 3.991 2.149 ( 20.420 3.184 0.000) 20.667 2.304 ( 5.135 -5.229 0.000) 7.329 2.618 ( -11.447 -10.131 0.000) 15.286 2.683 ( -13.208 2.649 0.000) 13.471 3.048 ( 7.538 7.678 0.000) 10.760 3.247 ( -8.933 8.952 0.000) 12.646 5.530 ( 7.221 -9.855 0.000) 12.217 5.663 ( -5.403 -4.766 0.000) 7.205 6.321 ( 6.138 2.137 0.000) 6.499 6.472 ( -8.083 -1.551 0.000) 8.230 15.048 ( 31.390 3.831 0.000) 31.623 15.675 ( -29.981 1.376 0.000) 30.013 16.500 ( 0.998 -0.802 0.000) 1.280 16.529 ( -1.886 -1.099 0.000) 2.183 17.003 ( 5.542 0.439 0.000) 5.559 17.116 ( -5.592 0.742 0.000) 5.641 18.855 ( 7.179 2.893 0.000) 7.740 19.006 ( -7.626 3.223 0.000) 8.279 20.198 ( 9.112 -8.255 0.000) 12.296 20.419 ( -12.806 -8.090 0.000) 15.147 22.866 ( 2.066 -1.869 0.000) 2.786 22.903 ( -1.438 -1.457 0.000) 2.047 24.248 ( 1.810 -1.062 0.000) 2.099 24.274 ( -0.615 -0.299 0.000) 0.683 30.630 ( 0.623 0.655 0.000) 0.904 30.637 ( -0.099 0.860 0.000) 0.866 32.022 ( 0.635 0.848 0.000) 1.059 32.042 ( -1.310 1.402 0.000) 1.919 34.201 ( 9.912 -0.639 0.000) 9.932 34.400 ( -9.598 -1.763 0.000) 9.758 44.240 ( 0.773 1.557 0.000) 1.738 44.251 ( -0.167 1.925 0.000) 1.932 45.517 ( 14.396 -0.009 0.000) 14.396 45.816 ( -14.984 -1.501 0.000) 15.059 48.374 ( 4.158 -0.188 0.000) 4.163 48.412 ( 0.666 1.226 0.000) 1.395 48.959 ( -0.394 1.252 0.000) 1.313 48.991 ( -3.384 1.450 0.000) 3.681 97.813 ( 8.001 -7.280 0.000) 10.817 97.981 ( -8.554 -7.948 0.000) 11.677 98.517 ( 2.538 6.236 0.000) 6.733 98.569 ( -2.524 5.864 0.000) 6.384 101.640 ( 0.456 -0.160 0.000) 0.483 101.649 ( -0.507 -0.219 0.000) 0.552 102.503 ( 5.892 -0.425 0.000) 5.908 102.621 ( -5.654 -1.056 0.000) 5.752======================= Grid point 20 (10/90) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 5.168 5.168 0.000) 7.309 1.505 ( 17.782 17.782 0.000) 25.148 2.057 ( -0.197 -0.197 0.000) 0.278 2.319 ( -2.758 -2.758 0.000) 3.900 2.455 ( 22.036 22.036 0.000) 31.164 2.958 ( -12.859 -12.859 0.000) 18.186 3.395 ( -9.336 -9.336 0.000) 13.204 3.472 ( 1.632 1.632 0.000) 2.308 5.196 ( -2.537 -2.537 0.000) 3.589 5.774 ( 2.785 2.785 0.000) 3.939 6.430 ( -9.909 -9.909 0.000) 14.013 6.444 ( 1.626 1.626 0.000) 2.300 14.209 ( 17.932 17.932 0.000) 25.360 16.455 ( -5.187 -5.187 0.000) 7.336 16.476 ( -0.943 -0.943 0.000) 1.334 16.652 ( -8.667 -8.667 0.000) 12.257 16.840 ( 2.605 2.605 0.000) 3.684 17.283 ( -2.005 -2.005 0.000) 2.836 18.688 ( 4.414 4.414 0.000) 6.243 19.320 ( -0.974 -0.974 0.000) 1.377 19.813 ( -2.786 -2.786 0.000) 3.940 20.799 ( -14.884 -14.884 0.000) 21.049 22.779 ( -0.310 -0.310 0.000) 0.438 22.912 ( -0.082 -0.082 0.000) 0.116 24.169 ( 0.417 0.417 0.000) 0.589 24.262 ( 1.445 1.445 0.000) 2.043 30.609 ( 0.841 0.841 0.000) 1.190 30.641 ( 0.872 0.872 0.000) 1.233 32.026 ( -0.467 -0.467 0.000) 0.661 32.099 ( 0.509 0.509 0.000) 0.720 33.922 ( 4.675 4.675 0.000) 6.612 34.639 ( -5.385 -5.385 0.000) 7.615 44.229 ( 1.059 1.059 0.000) 1.498 44.263 ( 2.008 2.008 0.000) 2.840 45.127 ( 6.755 6.755 0.000) 9.553 46.235 ( -8.927 -8.927 0.000) 12.625 48.177 ( 3.511 3.511 0.000) 4.966 48.336 ( 4.358 4.358 0.000) 6.163 49.049 ( -1.830 -1.830 0.000) 2.589 49.139 ( -1.857 -1.857 0.000) 2.626 97.517 ( 0.205 0.205 0.000) 0.290 98.149 ( -8.220 -8.220 0.000) 11.624 98.523 ( 3.799 3.799 0.000) 5.372 98.695 ( 1.520 1.520 0.000) 2.150 101.627 ( 0.094 0.094 0.000) 0.133 101.662 ( -0.398 -0.398 0.000) 0.563 102.332 ( 2.921 2.921 0.000) 4.132 102.763 ( -3.246 -3.246 0.000) 4.590======================= Grid point 21 (11/90) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( 24.054 -16.900 0.000) 29.397 1.888 ( 19.280 12.035 0.000) 22.728 2.057 ( 0.041 -1.474 0.000) 1.474 2.249 ( -3.784 -2.710 0.000) 4.655 2.639 ( -15.118 -14.590 0.000) 21.010 2.852 ( 11.263 11.500 0.000) 16.097 3.175 ( -9.704 -0.725 0.000) 9.731 3.479 ( -1.325 3.811 0.000) 4.035 5.197 ( 2.642 -8.553 0.000) 8.952 5.704 ( -9.163 -6.680 0.000) 11.340 6.307 ( 0.318 1.842 0.000) 1.869 6.491 ( 0.221 -2.932 0.000) 2.940 14.636 ( 23.960 12.625 0.000) 27.082 16.184 ( -20.542 -4.362 0.000) 21.000 16.468 ( -0.118 -1.819 0.000) 1.823 16.538 ( -2.901 -2.811 0.000) 4.040 16.914 ( 4.630 1.732 0.000) 4.943 17.225 ( -3.811 -0.444 0.000) 3.836 18.796 ( 6.294 4.784 0.000) 7.906 19.236 ( -6.383 3.676 0.000) 7.366 19.847 ( 5.089 -9.320 0.000) 10.619 20.487 ( -15.333 -13.392 0.000) 20.358 22.786 ( 0.994 -1.889 0.000) 2.134 22.897 ( -1.365 -1.680 0.000) 2.164 24.189 ( 1.530 -0.503 0.000) 1.611 24.278 ( -0.023 0.040 0.000) 0.047 30.629 ( 1.063 0.993 0.000) 1.455 30.655 ( 0.480 1.079 0.000) 1.182 32.027 ( 0.593 0.807 0.000) 1.002 32.099 ( -0.564 1.415 0.000) 1.523 34.037 ( 6.591 1.875 0.000) 6.853 34.509 ( -7.320 -4.545 0.000) 8.616 44.255 ( 1.463 1.953 0.000) 2.440 44.295 ( 0.969 2.607 0.000) 2.781 45.296 ( 9.864 3.540 0.000) 10.480 46.021 ( -11.837 -6.010 0.000) 13.275 48.270 ( 5.368 1.390 0.000) 5.545 48.416 ( 3.052 3.084 0.000) 4.339 49.006 ( -1.928 -0.062 0.000) 1.929 49.091 ( -2.879 0.588 0.000) 2.938 97.560 ( 3.816 -3.814 0.000) 5.396 97.977 ( -8.633 -9.006 0.000) 12.475 98.590 ( 2.892 5.328 0.000) 6.062 98.705 ( -0.400 3.551 0.000) 3.574 101.630 ( 0.200 -0.087 0.000) 0.219 101.653 ( -0.479 -0.405 0.000) 0.627 102.404 ( 4.112 1.211 0.000) 4.287 102.686 ( -4.350 -2.677 0.000) 5.108======================= Grid point 22 (12/90) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( 25.212 -19.228 0.000) 31.707 1.974 ( -12.010 -8.056 0.000) 14.462 2.184 ( -0.459 -4.399 0.000) 4.423 2.202 ( 2.773 -4.438 0.000) 5.233 2.431 ( 6.139 -2.605 0.000) 6.669 2.741 ( -16.489 2.995 0.000) 16.759 3.241 ( 10.178 9.807 0.000) 14.134 3.408 ( -5.872 6.795 0.000) 8.980 5.300 ( 7.433 -12.136 0.000) 14.232 5.487 ( -10.765 -11.959 0.000) 16.090 6.371 ( 4.551 2.662 0.000) 5.273 6.456 ( -3.362 0.158 0.000) 3.366 15.156 ( 26.985 6.585 0.000) 27.777 15.700 ( -26.299 0.694 0.000) 26.308 16.473 ( 0.688 -1.962 0.000) 2.079 16.496 ( -1.557 -2.139 0.000) 2.645 17.020 ( 5.636 1.261 0.000) 5.775 17.132 ( -5.273 0.652 0.000) 5.313 18.937 ( 7.491 5.026 0.000) 9.020 19.091 ( -7.615 4.809 0.000) 9.007 19.989 ( 8.821 -11.411 0.000) 14.423 20.203 ( -12.450 -12.420 0.000) 17.586 22.817 ( 1.990 -2.791 0.000) 3.428 22.860 ( -2.130 -2.683 0.000) 3.426 24.226 ( 1.984 -0.998 0.000) 2.221 24.262 ( -1.429 -0.837 0.000) 1.657 30.648 ( 0.800 1.116 0.000) 1.373 30.658 ( -0.180 1.159 0.000) 1.173 32.048 ( 1.385 1.724 0.000) 2.211 32.078 ( -1.394 1.956 0.000) 2.402 34.185 ( 7.952 -0.894 0.000) 8.002 34.350 ( -8.242 -3.083 0.000) 8.800 44.284 ( 1.255 2.582 0.000) 2.871 44.301 ( -0.349 2.832 0.000) 2.854 45.519 ( 11.998 0.210 0.000) 11.999 45.771 ( -12.733 -2.969 0.000) 13.074 48.376 ( 4.653 0.426 0.000) 4.673 48.439 ( -1.126 1.158 0.000) 1.615 48.991 ( 0.707 1.877 0.000) 2.005 49.030 ( -2.851 2.161 0.000) 3.577 97.663 ( 6.318 -6.751 0.000) 9.246 97.809 ( -7.922 -8.496 0.000) 11.616 98.642 ( 2.337 5.574 0.000) 6.045 98.683 ( -1.645 4.921 0.000) 5.188 101.635 ( 0.341 -0.257 0.000) 0.427 101.643 ( -0.453 -0.366 0.000) 0.582 102.494 ( 4.756 -0.429 0.000) 4.775 102.592 ( -4.843 -1.753 0.000) 5.151======================= Grid point 30 (13/90) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 5.105 5.105 0.000) 7.219 2.035 ( -0.806 -0.806 0.000) 1.140 2.088 ( -1.093 -1.093 0.000) 1.545 2.180 ( -4.015 -4.015 0.000) 5.679 2.332 ( -5.508 -5.508 0.000) 7.789 2.958 ( -3.573 -3.573 0.000) 5.053 3.244 ( 8.441 8.441 0.000) 11.938 3.530 ( 1.114 1.114 0.000) 1.575 5.071 ( -3.361 -3.361 0.000) 4.753 5.480 ( -13.478 -13.478 0.000) 19.060 6.357 ( 3.208 3.208 0.000) 4.536 6.480 ( 0.208 0.208 0.000) 0.294 14.937 ( 16.924 16.924 0.000) 23.933 16.012 ( -12.849 -12.849 0.000) 18.171 16.431 ( -1.204 -1.204 0.000) 1.702 16.488 ( -2.160 -2.160 0.000) 3.054 16.969 ( 3.624 3.624 0.000) 5.125 17.199 ( -2.179 -2.179 0.000) 3.082 18.911 ( 6.429 6.429 0.000) 9.092 19.265 ( -1.589 -1.589 0.000) 2.248 19.728 ( -1.497 -1.497 0.000) 2.117 20.204 ( -13.859 -13.859 0.000) 19.600 22.758 ( -0.655 -0.655 0.000) 0.926 22.853 ( -2.537 -2.537 0.000) 3.588 24.190 ( 0.613 0.613 0.000) 0.866 24.269 ( -0.924 -0.924 0.000) 1.307 30.651 ( 1.140 1.140 0.000) 1.613 30.674 ( 0.669 0.669 0.000) 0.946 32.052 ( 1.595 1.595 0.000) 2.255 32.119 ( 0.450 0.450 0.000) 0.636 34.088 ( 3.298 3.298 0.000) 4.664 34.403 ( -5.821 -5.821 0.000) 8.232 44.298 ( 2.185 2.185 0.000) 3.091 44.340 ( 1.632 1.632 0.000) 2.308 45.390 ( 5.831 5.831 0.000) 8.246 45.875 ( -8.229 -8.229 0.000) 11.638 48.319 ( 3.273 3.273 0.000) 4.629 48.462 ( 1.069 1.069 0.000) 1.512 49.008 ( 0.558 0.558 0.000) 0.789 49.092 ( -0.543 -0.543 0.000) 0.767 97.521 ( 0.001 0.001 0.000) 0.001 97.802 ( -8.166 -8.166 0.000) 11.548 98.678 ( 3.475 3.475 0.000) 4.914 98.753 ( 1.264 1.264 0.000) 1.788 101.629 ( -0.006 -0.006 0.000) 0.008 101.644 ( -0.452 -0.452 0.000) 0.639 102.438 ( 2.150 2.150 0.000) 3.040 102.623 ( -3.363 -3.363 0.000) 4.756======================= Grid point 31 (14/90) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 22.302 -13.516 0.000) 26.078 1.705 ( -24.753 -18.177 0.000) 30.710 2.055 ( 1.578 -4.711 0.000) 4.968 2.105 ( -3.241 -4.627 0.000) 5.649 2.526 ( 14.037 8.034 0.000) 16.173 2.791 ( -11.499 1.512 0.000) 11.598 3.415 ( 7.166 7.159 0.000) 10.129 3.516 ( -2.755 3.765 0.000) 4.666 5.076 ( 3.982 -9.188 0.000) 10.014 5.227 ( -10.604 -12.666 0.000) 16.519 6.423 ( 3.016 2.321 0.000) 3.806 6.469 ( -1.430 0.748 0.000) 1.614 15.305 ( 19.147 8.018 0.000) 20.758 15.689 ( -18.271 -2.077 0.000) 18.389 16.426 ( 0.560 -2.374 0.000) 2.439 16.449 ( -1.634 -2.379 0.000) 2.886 17.052 ( 4.425 1.909 0.000) 4.819 17.138 ( -3.805 -0.161 0.000) 3.809 19.048 ( 6.924 5.676 0.000) 8.953 19.181 ( -5.925 3.495 0.000) 6.879 19.781 ( 6.002 -8.259 0.000) 10.209 19.952 ( -10.756 -11.697 0.000) 15.890 22.763 ( 1.151 -2.267 0.000) 2.543 22.801 ( -2.421 -2.967 0.000) 3.830 24.211 ( 1.429 -0.368 0.000) 1.476 24.243 ( -1.536 -1.008 0.000) 1.837 30.671 ( 0.777 1.068 0.000) 1.321 30.680 ( -0.065 0.888 0.000) 0.891 32.087 ( 1.698 1.962 0.000) 2.595 32.114 ( -0.882 1.491 0.000) 1.733 34.171 ( 4.913 -0.297 0.000) 4.922 34.282 ( -5.936 -3.472 0.000) 6.877 44.337 ( 1.564 2.554 0.000) 2.995 44.355 ( -0.111 2.336 0.000) 2.339 45.530 ( 7.874 0.998 0.000) 7.937 45.700 ( -8.827 -3.828 0.000) 9.622 48.392 ( 3.615 1.105 0.000) 3.780 48.452 ( -2.008 0.077 0.000) 2.009 49.032 ( 1.749 2.141 0.000) 2.765 49.069 ( -1.658 1.506 0.000) 2.240 97.557 ( 3.434 -3.648 0.000) 5.010 97.655 ( -6.199 -6.471 0.000) 8.961 98.733 ( 1.997 3.377 0.000) 3.923 98.759 ( -0.580 2.592 0.000) 2.657 101.630 ( 0.173 -0.214 0.000) 0.275 101.636 ( -0.358 -0.369 0.000) 0.514 102.489 ( 2.945 0.033 0.000) 2.946 102.554 ( -3.409 -1.874 0.000) 3.891======================= Grid point 40 (15/90) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 3.284 3.284 0.000) 4.645 1.324 ( -17.375 -17.375 0.000) 24.572 2.006 ( -0.451 -0.451 0.000) 0.638 2.029 ( -2.633 -2.633 0.000) 3.723 2.685 ( 6.929 6.929 0.000) 9.799 2.784 ( -2.588 -2.588 0.000) 3.661 3.524 ( 3.540 3.540 0.000) 5.007 3.557 ( 0.254 0.254 0.000) 0.359 4.961 ( -1.627 -1.627 0.000) 2.301 5.019 ( -7.122 -7.122 0.000) 10.072 6.461 ( 1.381 1.381 0.000) 1.952 6.477 ( -0.149 -0.149 0.000) 0.210 15.469 ( 7.922 7.922 0.000) 11.203 15.610 ( -5.697 -5.697 0.000) 8.056 16.394 ( -0.517 -0.517 0.000) 0.731 16.406 ( -1.607 -1.607 0.000) 2.273 17.092 ( 1.888 1.888 0.000) 2.670 17.124 ( -1.187 -1.187 0.000) 1.678 19.153 ( 4.436 4.436 0.000) 6.274 19.211 ( -0.822 -0.822 0.000) 1.162 19.688 ( -0.494 -0.494 0.000) 0.699 19.758 ( -7.011 -7.011 0.000) 9.915 22.735 ( -0.371 -0.371 0.000) 0.524 22.750 ( -1.814 -1.814 0.000) 2.565 24.211 ( 0.342 0.342 0.000) 0.483 24.224 ( -0.826 -0.826 0.000) 1.168 30.688 ( 0.546 0.546 0.000) 0.773 30.692 ( 0.215 0.215 0.000) 0.304 32.121 ( 1.240 1.240 0.000) 1.754 32.132 ( 0.178 0.178 0.000) 0.252 34.179 ( 1.144 1.144 0.000) 1.617 34.218 ( -2.699 -2.699 0.000) 3.816 44.379 ( 1.355 1.355 0.000) 1.917 44.387 ( 0.619 0.619 0.000) 0.876 45.563 ( 2.357 2.357 0.000) 3.334 45.624 ( -3.573 -3.573 0.000) 5.053 48.418 ( 1.354 1.354 0.000) 1.915 48.442 ( -0.965 -0.965 0.000) 1.364 49.070 ( 1.454 1.454 0.000) 2.057 49.085 ( 0.034 0.034 0.000) 0.048 97.519 ( -0.046 -0.046 0.000) 0.065 97.554 ( -3.439 -3.439 0.000) 4.864 98.780 ( 1.377 1.377 0.000) 1.947 98.790 ( 0.475 0.475 0.000) 0.671 101.628 ( -0.025 -0.025 0.000) 0.035 101.629 ( -0.213 -0.213 0.000) 0.302 102.497 ( 0.756 0.756 0.000) 1.069 102.520 ( -1.464 -1.464 0.000) 2.071======================= Grid point 81 (16/90) =======================q-point: ( 0.00 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( 0.000 0.000 29.638) 29.638 0.592 ( 0.000 0.000 29.638) 29.638 1.304 ( 0.000 0.000 66.783) 66.783 1.927 ( 0.000 0.000 -9.893) 9.893 2.542 ( 0.000 0.000 8.733) 8.733 3.362 ( 0.000 0.000 -2.879) 2.879 3.362 ( 0.000 0.000 -2.879) 2.879 4.284 ( 0.000 0.000 33.052) 33.052 5.231 ( 0.000 0.000 -5.193) 5.193 5.231 ( 0.000 0.000 -5.193) 5.193 6.246 ( 0.000 0.000 -7.073) 7.073 6.246 ( 0.000 0.000 -7.073) 7.073 13.379 ( 0.000 0.000 3.672) 3.672 16.569 ( 0.000 0.000 1.347) 1.347 16.569 ( 0.000 0.000 1.347) 1.347 16.667 ( 0.000 0.000 -1.023) 1.023 17.163 ( 0.000 0.000 2.605) 2.605 17.163 ( 0.000 0.000 2.605) 2.605 17.749 ( 0.000 0.000 -12.125) 12.125 18.265 ( 0.000 0.000 -20.859) 20.859 20.259 ( 0.000 0.000 21.454) 21.454 21.669 ( 0.000 0.000 5.312) 5.312 22.776 ( 0.000 0.000 0.042) 0.042 22.776 ( 0.000 0.000 0.042) 0.042 24.092 ( 0.000 0.000 -1.325) 1.325 24.092 ( 0.000 0.000 -1.325) 1.325 30.570 ( 0.000 0.000 -1.161) 1.161 30.606 ( 0.000 0.000 0.203) 0.203 32.052 ( 0.000 0.000 -2.170) 2.170 32.052 ( 0.000 0.000 -2.170) 2.170 33.889 ( 0.000 0.000 0.272) 0.272 34.851 ( 0.000 0.000 -2.186) 2.186 44.189 ( 0.000 0.000 2.843) 2.843 44.189 ( 0.000 0.000 2.843) 2.843 44.874 ( 0.000 0.000 10.039) 10.039 47.867 ( 0.000 0.000 0.799) 0.799 47.998 ( 0.000 0.000 -1.332) 1.332 47.998 ( 0.000 0.000 -1.332) 1.332 48.096 ( 0.000 0.000 -1.559) 1.559 50.860 ( 0.000 0.000 -0.402) 0.402 97.498 ( 0.000 0.000 -0.309) 0.309 97.498 ( 0.000 0.000 -0.309) 0.309 98.425 ( 0.000 0.000 -8.453) 8.453 99.006 ( 0.000 0.000 16.134) 16.134 101.618 ( 0.000 0.000 -0.112) 0.112 101.618 ( 0.000 0.000 -0.112) 0.112 101.677 ( 0.000 0.000 -0.144) 0.144 104.394 ( 0.000 0.000 -5.755) 5.755======================= Grid point 82 (17/90) =======================q-point: ( 0.11 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.764 ( 15.705 0.000 21.989) 27.021 0.981 ( 28.726 0.000 18.079) 33.941 1.478 ( 15.663 0.000 57.484) 59.580 1.941 ( 1.560 0.000 -9.355) 9.484 2.524 ( -1.656 0.000 8.411) 8.572 3.338 ( -2.497 0.000 -3.316) 4.151 3.356 ( -1.202 0.000 -3.216) 3.433 4.072 ( -13.078 0.000 26.006) 29.109 5.268 ( 3.671 0.000 -5.312) 6.457 5.288 ( 4.494 0.000 -7.024) 8.339 6.229 ( -1.643 0.000 -6.947) 7.139 6.644 ( 16.081 0.000 -21.845) 27.125 13.505 ( 12.314 0.000 3.574) 12.822 16.531 ( -3.004 0.000 -0.327) 3.022 16.578 ( 0.107 0.000 2.692) 2.694 16.726 ( 4.068 0.000 0.617) 4.115 17.070 ( -8.944 0.000 2.573) 9.306 17.238 ( 0.312 0.000 -10.433) 10.438 18.301 ( 4.186 0.000 -20.157) 20.587 18.445 ( 40.288 0.000 -42.465) 58.536 20.213 ( -3.680 0.000 19.417) 19.763 21.522 ( -13.351 0.000 4.768) 14.176 22.787 ( 1.021 0.000 0.053) 1.022 22.820 ( 3.600 0.000 0.119) 3.602 24.114 ( 2.024 0.000 -1.444) 2.487 24.142 ( 3.906 0.000 -1.113) 4.061 30.574 ( 0.413 0.000 -0.986) 1.069 30.604 ( -0.020 0.000 -0.005) 0.021 32.044 ( -0.779 0.000 -2.034) 2.178 32.063 ( 0.367 0.000 -3.149) 3.170 33.836 ( -1.491 0.000 5.844) 6.031 34.814 ( -3.270 0.000 -2.357) 4.030 44.199 ( 0.894 0.000 2.716) 2.859 44.213 ( 1.512 0.000 1.609) 2.208 44.932 ( 5.629 0.000 9.981) 11.459 47.159 ( -31.169 0.000 26.295) 40.779 48.034 ( 3.425 0.000 -1.695) 3.822 48.117 ( 2.247 0.000 -2.793) 3.585 48.502 ( 17.287 0.000 -16.918) 24.188 50.203 ( -37.110 0.000 33.210) 49.800 97.527 ( 2.835 0.000 -0.274) 2.848 97.818 ( 18.386 0.000 -18.550) 26.117 98.405 ( -1.856 0.000 -7.574) 7.798 98.940 ( -5.387 0.000 17.434) 18.248 101.620 ( 0.143 0.000 -0.111) 0.181 101.667 ( 0.073 0.000 -0.915) 0.918 101.812 ( 13.572 0.000 -8.557) 16.045 103.773 ( -36.832 0.000 28.920) 46.829======================= Grid point 83 (18/90) =======================q-point: ( 0.22 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 22.508 0.000 11.635) 25.337 1.565 ( 27.016 0.000 10.187) 28.873 1.864 ( 21.124 0.000 42.612) 47.560 1.989 ( 3.285 0.000 -7.534) 8.219 2.484 ( -1.883 0.000 7.708) 7.934 3.253 ( -6.151 0.000 -3.374) 7.016 3.307 ( -3.725 0.000 -1.272) 3.936 3.803 ( -13.766 0.000 20.713) 24.871 5.372 ( 6.274 0.000 -6.069) 8.729 5.395 ( 5.885 0.000 -6.921) 9.085 6.189 ( -2.027 0.000 -6.529) 6.836 6.757 ( -1.980 0.000 -12.810) 12.962 13.863 ( 22.653 0.000 3.269) 22.888 16.456 ( -5.444 0.000 -2.256) 5.893 16.572 ( -0.762 0.000 4.864) 4.923 16.792 ( -2.761 0.000 -0.376) 2.787 16.844 ( -6.934 0.000 4.197) 8.105 17.205 ( -2.913 0.000 -10.127) 10.538 18.405 ( 6.289 0.000 -16.666) 17.813 18.947 ( 11.630 0.000 -26.795) 29.210 20.150 ( -1.773 0.000 11.943) 12.074 21.189 ( -18.344 0.000 3.613) 18.696 22.814 ( 1.584 0.000 0.343) 1.621 22.889 ( 2.808 0.000 0.181) 2.814 24.165 ( 2.952 0.000 -0.816) 3.062 24.223 ( 3.795 0.000 1.078) 3.945 30.586 ( 0.779 0.000 -0.856) 1.157 30.608 ( 0.344 0.000 -0.464) 0.577 32.024 ( -1.077 0.000 -1.750) 2.055 32.057 ( -0.895 0.000 -2.701) 2.846 33.877 ( 5.094 0.000 4.214) 6.611 34.723 ( -5.792 0.000 -2.557) 6.331 44.219 ( 1.009 0.000 2.411) 2.614 44.238 ( 1.046 0.000 2.630) 2.831 45.093 ( 10.171 0.000 10.021) 14.279 46.672 ( -19.539 0.000 20.791) 28.532 48.123 ( 4.959 0.000 -2.879) 5.734 48.182 ( 4.186 0.000 -4.036) 5.815 48.725 ( 6.705 0.000 -13.009) 14.635 49.659 ( -19.361 0.000 25.468) 31.992 97.610 ( 5.279 0.000 -0.295) 5.287 98.067 ( 7.000 0.000 -15.336) 16.858 98.362 ( -1.820 0.000 -5.571) 5.860 98.818 ( -6.431 0.000 15.374) 16.664 101.624 ( 0.278 0.000 -0.114) 0.300 101.664 ( -0.265 0.000 -0.584) 0.641 102.075 ( 11.952 0.000 -9.396) 15.203 103.227 ( -19.127 0.000 23.639) 30.408======================= Grid point 84 (19/90) =======================q-point: ( 0.33 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 23.373 0.000 5.195) 23.943 1.970 ( 10.239 0.000 0.031) 10.239 2.087 ( 7.113 0.000 3.893) 8.109 2.299 ( 21.023 0.000 24.882) 32.574 2.478 ( 2.139 0.000 7.863) 8.149 3.094 ( -8.634 0.000 0.895) 8.680 3.201 ( -6.988 0.000 1.794) 7.215 3.522 ( -13.883 0.000 19.665) 24.072 5.495 ( 5.348 0.000 -7.868) 9.513 5.520 ( 6.091 0.000 -6.331) 8.786 6.168 ( 0.656 0.000 -5.707) 5.745 6.638 ( -8.844 0.000 -7.733) 11.748 14.396 ( 29.582 0.000 2.718) 29.706 16.202 ( -21.310 0.000 -1.533) 21.365 16.549 ( -0.945 0.000 5.490) 5.570 16.627 ( -4.216 0.000 2.428) 4.865 16.894 ( 3.819 0.000 0.092) 3.820 17.134 ( -3.898 0.000 -8.055) 8.948 18.552 ( 8.194 0.000 -12.804) 15.202 19.022 ( -2.302 0.000 -11.379) 11.609 20.164 ( 3.401 0.000 3.974) 5.231 20.822 ( -17.298 0.000 2.136) 17.429 22.850 ( 1.986 0.000 0.488) 2.045 22.925 ( 0.722 0.000 0.253) 0.765 24.227 ( 2.982 0.000 0.615) 3.045 24.284 ( 2.097 0.000 2.379) 3.172 30.603 ( 0.798 0.000 -0.776) 1.113 30.615 ( 0.366 0.000 -0.663) 0.757 32.005 ( -0.711 0.000 -1.536) 1.692 32.033 ( -1.297 0.000 -2.094) 2.463 34.019 ( 8.526 0.000 1.660) 8.686 34.583 ( -8.038 0.000 -2.198) 8.333 44.238 ( 0.884 0.000 2.677) 2.820 44.257 ( 0.724 0.000 3.236) 3.316 45.335 ( 13.550 0.000 10.404) 17.083 46.308 ( -17.288 0.000 15.301) 23.087 48.220 ( 4.496 0.000 -5.068) 6.775 48.273 ( 4.146 0.000 -5.270) 6.705 48.826 ( 4.361 0.000 -6.077) 7.480 49.341 ( -13.209 0.000 15.495) 20.361 97.735 ( 6.941 0.000 -0.741) 6.980 98.115 ( -1.960 0.000 -9.394) 9.596 98.363 ( 2.411 0.000 -2.926) 3.791 98.685 ( -6.626 0.000 11.014) 12.854 101.631 ( 0.391 0.000 -0.134) 0.413 101.657 ( -0.392 0.000 -0.414) 0.571 102.298 ( 10.351 0.000 -4.929) 11.465 102.923 ( -12.260 0.000 12.885) 17.785======================= Grid point 85 (20/90) =======================q-point: ( 0.44 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 11.637 0.000 -0.498) 11.648 2.086 ( 4.505 0.000 -2.269) 5.044 2.184 ( 7.138 0.000 5.819) 9.209 2.450 ( -9.134 0.000 -0.544) 9.150 2.704 ( 17.692 0.000 18.571) 25.649 2.995 ( -7.806 0.000 15.485) 17.342 3.046 ( 1.253 0.000 5.059) 5.212 3.248 ( -13.011 0.000 16.696) 21.167 5.582 ( 3.041 0.000 -8.070) 8.624 5.603 ( 1.457 0.000 -7.599) 7.737 6.243 ( 7.091 0.000 -4.976) 8.663 6.432 ( -10.699 0.000 -5.593) 12.073 15.028 ( 32.257 0.000 1.861) 32.311 15.666 ( -30.152 0.000 0.607) 30.159 16.550 ( 0.885 0.000 4.049) 4.145 16.577 ( -1.712 0.000 3.478) 3.876 16.972 ( 3.912 0.000 -2.440) 4.611 17.053 ( -4.067 0.000 -5.296) 6.678 18.730 ( 9.188 0.000 -8.976) 12.845 18.908 ( -7.987 0.000 -7.093) 10.682 20.287 ( 8.654 0.000 0.664) 8.680 20.510 ( -13.393 0.000 0.778) 13.416 22.891 ( 1.889 0.000 0.459) 1.944 22.921 ( -0.993 0.000 0.356) 1.055 24.279 ( 2.053 0.000 1.933) 2.820 24.303 ( -0.194 0.000 2.596) 2.603 30.616 ( 0.455 0.000 -0.733) 0.863 30.620 ( 0.039 0.000 -0.715) 0.716 31.998 ( 0.114 0.000 -1.512) 1.517 32.009 ( -0.940 0.000 -1.700) 1.943 34.207 ( 9.792 0.000 -0.142) 9.793 34.404 ( -9.509 0.000 -1.388) 9.609 44.255 ( 0.714 0.000 3.063) 3.145 44.264 ( -0.082 0.000 3.246) 3.247 45.632 ( 15.775 0.000 11.217) 19.356 45.963 ( -16.845 0.000 12.632) 21.055 48.297 ( 2.907 0.000 -6.765) 7.364 48.324 ( 0.579 0.000 -6.794) 6.819 48.934 ( 6.817 0.000 1.504) 6.981 49.106 ( -10.141 0.000 8.303) 13.107 97.882 ( 7.427 0.000 -2.147) 7.731 98.023 ( -6.290 0.000 -4.947) 8.003 98.443 ( 4.998 0.000 0.801) 5.061 98.556 ( -6.080 0.000 5.775) 8.386 101.639 ( 0.458 0.000 -0.185) 0.494 101.649 ( -0.459 0.000 -0.279) 0.537 102.500 ( 9.850 0.000 -0.025) 9.850 102.701 ( -10.211 0.000 5.454) 11.577======================= Grid point 91 (21/90) =======================q-point: ( 0.11 0.11 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( 4.425 4.425 22.290) 23.151 1.197 ( 16.085 16.085 26.183) 34.685 1.729 ( 20.451 20.451 40.194) 49.518 1.948 ( 0.941 0.941 -8.537) 8.640 2.504 ( -1.831 -1.831 8.088) 8.492 3.275 ( -4.886 -4.886 -3.522) 7.756 3.385 ( 1.125 1.125 -2.861) 3.273 3.973 ( -8.531 -8.531 22.947) 25.925 5.212 ( -1.010 -1.010 -5.323) 5.511 5.415 ( 7.290 7.290 -8.031) 13.068 6.291 ( 1.938 1.938 -7.118) 7.628 6.635 ( -0.323 -0.323 -17.001) 17.007 13.623 ( 11.535 11.535 3.451) 16.675 16.534 ( -1.108 -1.108 1.086) 1.907 16.549 ( -1.150 -1.150 0.747) 1.789 16.757 ( 2.478 2.478 1.644) 3.870 17.027 ( -6.515 -6.515 2.307) 9.497 17.232 ( -0.598 -0.598 -11.063) 11.095 18.342 ( 3.581 3.581 -18.360) 19.046 18.711 ( 19.078 19.078 -40.893) 48.991 20.159 ( -4.375 -4.375 19.000) 19.982 21.395 ( -11.772 -11.772 4.527) 17.252 22.781 ( 0.090 0.090 -0.156) 0.201 22.859 ( 2.688 2.688 0.355) 3.818 24.135 ( 1.124 1.124 -1.662) 2.299 24.170 ( 3.237 3.237 0.176) 4.581 30.577 ( 0.391 0.391 -0.884) 1.042 30.606 ( 0.283 0.283 -0.278) 0.487 32.043 ( -0.921 -0.921 -2.764) 3.056 32.059 ( 0.329 0.329 -2.170) 2.220 33.835 ( 0.878 0.878 5.639) 5.774 34.783 ( -3.026 -3.026 -2.499) 4.956 44.219 ( 0.705 0.705 1.542) 1.836 44.219 ( 1.403 1.403 2.803) 3.434 44.984 ( 5.020 5.020 10.039) 12.296 46.938 ( -16.940 -16.940 24.851) 34.518 48.044 ( 2.191 2.191 -1.343) 3.377 48.141 ( 2.351 2.351 -3.335) 4.709 48.634 ( 8.699 8.699 -16.477) 20.563 49.939 ( -19.210 -19.210 31.899) 41.899 97.504 ( 0.248 0.248 -0.315) 0.471 97.987 ( 10.488 10.488 -18.214) 23.489 98.388 ( -1.393 -1.393 -6.768) 7.049 98.901 ( -3.415 -3.415 16.616) 17.303 101.621 ( 0.130 0.130 -0.093) 0.207 101.667 ( -0.101 -0.101 -0.709) 0.723 101.922 ( 9.148 9.148 -10.328) 16.554 103.502 ( -19.948 -19.948 29.622) 40.906======================= Grid point 92 (22/90) =======================q-point: ( 0.22 0.11 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 21.347 -12.655 12.163) 27.636 1.570 ( 20.027 7.017 25.957) 33.527 1.982 ( 2.415 -0.174 -6.478) 6.916 2.171 ( 20.864 20.646 23.951) 37.884 2.463 ( -1.379 -2.019 7.557) 7.943 3.145 ( -7.903 -7.513 -1.719) 11.039 3.382 ( -1.873 4.060 -2.349) 5.050 3.759 ( -12.067 -4.341 20.971) 24.581 5.235 ( 3.104 -6.358 -5.553) 8.994 5.552 ( 5.873 7.943 -8.561) 13.072 6.257 ( -3.834 5.732 -6.665) 9.590 6.622 ( -1.780 -11.806 -9.943) 15.537 13.959 ( 21.311 9.407 3.060) 23.495 16.463 ( -5.880 0.477 -1.691) 6.137 16.547 ( -0.115 -2.231 3.259) 3.951 16.796 ( -6.050 -0.381 1.056) 6.153 16.832 ( -3.728 -1.593 3.209) 5.171 17.204 ( -2.211 -0.071 -9.702) 9.951 18.441 ( 6.143 3.463 -15.625) 17.142 19.000 ( 8.186 4.636 -25.410) 27.095 20.083 ( -2.251 -5.692 13.705) 15.009 21.091 ( -17.239 -9.330 3.777) 19.963 22.795 ( 1.226 -1.298 0.012) 1.785 22.906 ( 1.698 1.040 0.387) 2.029 24.165 ( 2.002 -0.051 -0.551) 2.077 24.243 ( 3.430 1.902 1.488) 4.195 30.589 ( 0.768 0.364 -0.766) 1.144 30.615 ( 0.514 0.652 -0.669) 1.066 32.019 ( -1.143 -0.551 -1.973) 2.346 32.063 ( -0.248 0.647 -2.271) 2.374 33.894 ( 4.954 1.710 3.560) 6.335 34.695 ( -5.635 -2.732 -2.504) 6.744 44.232 ( 0.808 0.967 2.302) 2.624 44.252 ( 1.526 1.497 2.807) 3.529 45.129 ( 9.308 3.559 10.238) 14.287 46.596 ( -16.471 -7.139 18.738) 25.949 48.121 ( 4.942 0.534 -2.015) 5.364 48.207 ( 4.068 2.406 -4.605) 6.599 48.771 ( 4.847 3.629 -12.220) 13.638 49.588 ( -15.081 -6.354 22.644) 27.938 97.551 ( 4.101 -3.646 -0.411) 5.503 98.119 ( 1.763 1.749 -12.369) 12.616 98.373 ( 0.840 2.162 -5.277) 5.764 98.817 ( -4.673 -0.210 13.446) 14.237 101.625 ( 0.231 0.075 -0.082) 0.256 101.663 ( -0.276 -0.143 -0.506) 0.594 102.120 ( 9.855 4.130 -8.596) 13.714 103.142 ( -14.927 -7.398 20.850) 26.689======================= Grid point 93 (23/90) =======================q-point: ( 0.33 0.11 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 23.923 -15.682 4.205) 28.913 1.954 ( 14.786 3.295 12.868) 19.876 2.052 ( 6.121 -1.145 2.546) 6.728 2.364 ( 0.085 -0.148 9.080) 9.082 2.602 ( 11.292 10.801 11.151) 19.197 2.984 ( -5.586 -6.925 4.222) 9.848 3.280 ( -8.991 4.951 3.475) 10.836 3.522 ( -10.351 -0.187 17.770) 20.566 5.329 ( 5.931 -9.638 -6.021) 12.818 5.627 ( 0.885 3.500 -8.720) 9.438 6.202 ( -0.280 2.894 -5.490) 6.212 6.547 ( -5.621 -7.632 -6.994) 11.779 14.462 ( 28.007 6.459 2.380) 28.840 16.200 ( -21.216 -0.576 -1.947) 21.313 16.540 ( -0.329 -0.893 4.764) 4.858 16.622 ( -4.477 -0.645 3.481) 5.707 16.888 ( 3.823 -0.423 -0.620) 3.896 17.145 ( -3.583 0.875 -7.445) 8.308 18.587 ( 8.185 3.385 -12.057) 14.961 19.051 ( -2.319 2.674 -11.847) 12.365 20.091 ( 3.223 -6.593 5.846) 9.383 20.739 ( -16.883 -7.948 2.577) 18.837 22.828 ( 1.950 -1.952 0.246) 2.770 22.923 ( -0.031 -0.452 0.369) 0.584 24.214 ( 2.697 -0.994 0.719) 2.963 24.294 ( 1.450 0.713 2.407) 2.899 30.607 ( 0.870 0.436 -0.734) 1.219 30.625 ( 0.386 0.808 -0.839) 1.227 32.003 ( -0.354 0.017 -1.607) 1.646 32.048 ( -1.063 1.292 -2.037) 2.637 34.026 ( 7.854 0.670 1.451) 8.015 34.559 ( -7.787 -2.339 -2.089) 8.394 44.251 ( 1.034 1.219 2.799) 3.223 44.276 ( 0.793 1.825 3.032) 3.627 45.353 ( 12.662 1.821 10.619) 16.625 46.269 ( -16.089 -3.777 14.497) 21.984 48.224 ( 4.901 0.489 -3.881) 6.270 48.292 ( 3.795 1.949 -5.774) 7.179 48.850 ( 3.705 2.081 -6.008) 7.359 49.320 ( -11.776 -1.993 14.109) 18.486 97.658 ( 6.304 -5.827 -0.716) 8.614 98.074 ( -5.080 -4.709 -6.591) 9.561 98.428 ( 3.939 5.875 -3.204) 7.765 98.718 ( -5.095 2.652 8.972) 10.653 101.631 ( 0.340 -0.020 -0.090) 0.353 101.656 ( -0.396 -0.155 -0.339) 0.544 102.312 ( 9.267 1.430 -4.425) 10.368 102.886 ( -10.973 -3.415 11.577) 16.312======================= Grid point 94 (24/90) =======================q-point: ( 0.44 0.11 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 16.773 -12.513 0.291) 20.928 2.061 ( -0.034 -2.968 -1.793) 3.468 2.218 ( 6.011 2.109 5.088) 8.153 2.378 ( -4.124 -5.733 3.052) 7.694 2.679 ( 6.702 -2.953 15.401) 17.054 2.935 ( -11.121 -1.871 14.885) 18.675 3.155 ( 6.098 8.526 11.436) 15.513 3.338 ( -8.980 6.390 11.523) 15.945 5.460 ( 6.709 -9.356 -6.871) 13.407 5.582 ( -4.825 -4.569 -7.960) 10.369 6.264 ( 5.895 1.828 -5.367) 8.179 6.408 ( -7.652 -1.799 -5.908) 9.833 15.063 ( 30.823 3.373 1.385) 31.038 15.676 ( -29.191 0.822 0.031) 29.203 16.544 ( 0.782 -0.604 4.266) 4.379 16.570 ( -1.696 -0.764 3.832) 4.260 16.972 ( 4.472 0.126 -2.866) 5.313 17.063 ( -4.414 0.890 -5.068) 6.779 18.765 ( 9.165 3.374 -8.547) 12.978 18.941 ( -7.773 3.098 -7.159) 11.012 20.211 ( 8.550 -7.077 1.823) 11.247 20.432 ( -13.259 -7.415 1.483) 15.263 22.870 ( 2.091 -1.964 0.356) 2.891 22.907 ( -1.436 -1.454 0.372) 2.077 24.267 ( 2.333 -1.090 1.866) 3.180 24.300 ( -0.811 -0.415 2.508) 2.669 30.622 ( 0.581 0.598 -0.776) 1.139 30.628 ( -0.057 0.760 -0.839) 1.133 32.006 ( 0.588 0.795 -1.575) 1.860 32.024 ( -1.182 1.341 -1.753) 2.503 34.200 ( 9.183 -0.637 -0.135) 9.206 34.387 ( -9.087 -1.669 -1.294) 9.329 44.271 ( 0.876 1.558 3.059) 3.543 44.283 ( -0.177 1.791 3.118) 3.600 45.633 ( 14.883 0.049 11.280) 18.674 45.945 ( -15.913 -1.757 12.398) 20.249 48.308 ( 3.134 0.947 -5.908) 6.755 48.338 ( 0.398 1.359 -6.589) 6.740 48.946 ( 6.275 1.174 1.006) 6.463 49.106 ( -9.402 -0.022 7.467) 12.007 97.798 ( 7.345 -6.881 -1.568) 10.187 97.946 ( -7.147 -6.737 -3.372) 10.385 98.516 ( 4.690 6.004 0.293) 7.624 98.615 ( -5.043 4.793 4.406) 8.235 101.638 ( 0.424 -0.103 -0.129) 0.455 101.647 ( -0.448 -0.148 -0.211) 0.516 102.497 ( 9.092 -0.281 0.018) 9.097 102.683 ( -9.476 -1.679 4.980) 10.836======================= Grid point 101 (25/90) =======================q-point: ( 0.22 0.22 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( 3.467 3.467 14.629) 15.429 1.810 ( 15.089 15.089 25.150) 32.983 1.987 ( 0.783 0.783 -5.501) 5.612 2.399 ( -3.385 -3.385 6.480) 8.057 2.574 ( 16.464 16.464 13.699) 27.015 2.972 ( -8.571 -8.571 2.641) 12.406 3.444 ( 1.649 1.649 -2.830) 3.668 3.628 ( -8.358 -8.358 22.354) 25.287 5.140 ( -2.610 -2.610 -5.594) 6.702 5.669 ( 2.442 2.442 -10.019) 10.598 6.368 ( -8.047 -8.047 -5.334) 12.568 6.370 ( 1.576 1.576 -7.259) 7.594 14.234 ( 17.531 17.531 2.435) 24.912 16.424 ( -6.909 -6.909 -2.980) 10.216 16.510 ( -0.305 -0.305 2.880) 2.912 16.706 ( -7.060 -7.060 5.225) 11.269 16.835 ( 1.723 1.723 -0.216) 2.446 17.196 ( -0.975 -0.975 -8.189) 8.304 18.539 ( 6.109 6.109 -13.197) 15.773 19.094 ( 3.649 3.649 -20.296) 20.942 19.971 ( -4.280 -4.280 13.992) 15.245 20.838 ( -14.944 -14.944 3.906) 21.492 22.777 ( -0.321 -0.321 -0.196) 0.494 22.917 ( -0.074 -0.074 0.485) 0.496 24.170 ( 0.747 0.747 0.043) 1.057 24.284 ( 1.750 1.750 2.172) 3.293 30.602 ( 0.822 0.822 -0.725) 1.371 30.630 ( 0.786 0.786 -0.952) 1.464 32.008 ( -0.315 -0.315 -1.761) 1.817 32.077 ( 0.502 0.502 -2.185) 2.298 33.949 ( 3.813 3.813 2.268) 5.850 34.615 ( -5.176 -5.176 -2.264) 7.662 44.255 ( 1.316 1.316 2.663) 3.249 44.290 ( 1.971 1.971 2.689) 3.873 45.236 ( 6.989 6.989 10.688) 14.557 46.406 ( -11.191 -11.191 15.275) 21.995 48.162 ( 3.476 3.476 -1.419) 5.116 48.273 ( 3.783 3.783 -5.672) 7.798 48.841 ( 3.050 3.050 -9.485) 10.419 49.434 ( -8.342 -8.342 16.707) 20.453 97.514 ( 0.203 0.203 -0.326) 0.434 98.074 ( -5.279 -5.279 -6.538) 9.924 98.458 ( 5.176 5.176 -5.027) 8.880 98.804 ( -1.173 -1.173 9.638) 9.779 101.627 ( 0.117 0.117 -0.032) 0.168 101.658 ( -0.294 -0.294 -0.336) 0.535 102.225 ( 5.974 5.974 -6.235) 10.501 102.971 ( -8.885 -8.885 14.623) 19.280======================= Grid point 102 (26/90) =======================q-point: ( 0.33 0.22 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 20.414 -14.026 9.028) 26.363 2.007 ( 1.278 -0.330 -3.335) 3.587 2.129 ( 14.110 9.086 18.424) 24.921 2.317 ( -4.262 -3.698 5.864) 8.138 2.633 ( -9.014 -9.382 4.012) 13.615 3.000 ( 9.899 9.422 13.277) 19.054 3.369 ( -9.718 3.453 11.681) 15.583 3.507 ( -1.933 -1.143 9.766) 10.021 5.139 ( 2.501 -8.539 -5.744) 10.591 5.610 ( -7.917 -6.064 -8.965) 13.410 6.254 ( -0.238 1.789 -4.982) 5.299 6.418 ( 0.250 -3.187 -6.964) 7.663 14.651 ( 23.387 12.032 1.435) 26.340 16.151 ( -19.506 -5.125 -3.139) 20.411 16.514 ( 0.266 -1.567 4.353) 4.634 16.595 ( -3.543 -2.033 5.449) 6.810 16.891 ( 3.811 1.006 -2.170) 4.499 17.158 ( -2.877 0.124 -6.344) 6.967 18.684 ( 8.171 6.128 -10.146) 14.397 19.115 ( -1.892 3.144 -12.330) 12.865 19.940 ( 1.520 -7.236 9.231) 11.827 20.522 ( -15.606 -12.902 3.571) 20.561 22.785 ( 1.099 -2.016 -0.084) 2.297 22.901 ( -1.408 -1.675 0.449) 2.234 24.198 ( 1.921 -0.430 0.795) 2.123 24.303 ( 0.018 0.033 2.512) 2.512 30.621 ( 0.995 0.917 -0.809) 1.576 30.644 ( 0.470 0.975 -1.092) 1.538 32.011 ( 0.599 0.786 -1.627) 1.903 32.077 ( -0.497 1.350 -2.133) 2.573 34.048 ( 5.923 1.588 1.011) 6.215 34.490 ( -6.990 -4.324 -1.767) 8.408 44.284 ( 1.551 1.998 2.917) 3.860 44.322 ( 1.027 2.453 2.715) 3.801 45.409 ( 10.058 3.804 11.101) 15.455 46.160 ( -12.897 -6.858 13.051) 19.588 48.248 ( 4.625 2.028 -2.181) 5.501 48.345 ( 2.925 2.974 -6.339) 7.588 48.899 ( 3.024 2.564 -5.198) 6.537 49.264 ( -8.312 -3.464 10.685) 13.974 97.555 ( 3.707 -3.710 -0.444) 5.264 97.942 ( -7.349 -7.672 -3.344) 11.138 98.557 ( 4.512 6.143 -2.654) 8.071 98.769 ( -2.338 2.007 5.990) 6.736 101.630 ( 0.208 -0.042 -0.004) 0.213 101.651 ( -0.399 -0.304 -0.170) 0.530 102.353 ( 6.624 2.557 -3.123) 7.757 102.797 ( -8.239 -5.133 8.547) 12.934======================= Grid point 103 (27/90) =======================q-point: ( 0.44 0.22 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 22.933 -16.765 3.781) 28.658 1.965 ( -9.853 -6.909 -0.606) 12.049 2.205 ( -2.455 -5.537 2.241) 6.458 2.239 ( -4.449 -6.914 2.887) 8.714 2.656 ( 13.784 3.324 20.938) 25.287 2.969 ( -13.956 4.259 18.924) 23.897 3.331 ( 6.751 8.113 9.649) 14.300 3.454 ( -4.323 4.572 6.618) 9.132 5.237 ( 7.107 -11.909 -6.094) 15.149 5.414 ( -10.040 -11.430 -7.012) 16.751 6.307 ( 4.101 2.243 -6.181) 7.749 6.386 ( -3.188 -0.189 -6.779) 7.494 15.158 ( 26.277 5.824 0.134) 26.915 15.687 ( -25.457 -0.156 -1.398) 25.496 16.522 ( 0.710 -1.588 4.826) 5.130 16.546 ( -1.656 -1.574 4.872) 5.381 16.982 ( 5.007 0.918 -3.641) 6.258 17.081 ( -4.568 0.744 -4.848) 6.703 18.859 ( 8.830 5.761 -7.437) 12.902 19.023 ( -6.852 4.622 -7.281) 11.015 20.032 ( 7.457 -9.709 4.597) 13.077 20.234 ( -12.429 -11.385 3.259) 17.167 22.818 ( 2.105 -2.909 0.144) 3.594 22.864 ( -2.211 -2.730 0.334) 3.529 24.243 ( 2.377 -1.118 1.634) 3.094 24.285 ( -1.666 -0.991 2.292) 3.002 30.639 ( 0.717 1.001 -0.954) 1.558 30.647 ( -0.126 1.037 -1.076) 1.499 32.031 ( 1.294 1.625 -1.724) 2.700 32.058 ( -1.279 1.843 -1.941) 2.967 34.184 ( 7.410 -0.874 -0.093) 7.462 34.339 ( -7.804 -2.915 -1.029) 8.394 44.313 ( 1.232 2.496 2.952) 4.057 44.330 ( -0.276 2.671 2.848) 3.915 45.636 ( 12.234 0.331 11.472) 16.775 45.895 ( -13.191 -3.184 11.993) 18.110 48.333 ( 3.443 1.535 -4.010) 5.504 48.374 ( -0.320 1.944 -5.797) 6.123 48.978 ( 5.102 1.876 -0.072) 5.437 49.105 ( -7.280 -0.139 5.193) 8.943 97.655 ( 6.033 -6.481 -0.831) 8.893 97.792 ( -7.300 -7.871 -1.683) 10.866 98.641 ( 3.828 5.707 0.058) 6.872 98.712 ( -3.216 4.307 2.861) 6.089 101.635 ( 0.329 -0.190 -0.009) 0.380 101.643 ( -0.411 -0.279 -0.059) 0.500 102.491 ( 7.050 -0.205 0.164) 7.055 102.638 ( -7.551 -2.598 3.850) 8.865======================= Grid point 111 (28/90) =======================q-point: ( 0.33 0.33 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( 4.419 4.419 10.877) 12.545 2.005 ( 0.191 0.191 -2.149) 2.165 2.155 ( -12.712 -12.712 3.767) 18.368 2.230 ( -4.839 -4.839 4.249) 8.055 2.544 ( 8.003 8.003 21.665) 24.443 3.165 ( 3.191 3.191 17.110) 17.696 3.399 ( 0.656 0.656 18.880) 18.903 3.504 ( 1.169 1.169 -2.709) 3.173 5.012 ( -3.427 -3.427 -5.869) 7.611 5.404 ( -12.650 -12.650 -7.204) 19.285 6.293 ( 2.563 2.563 -5.999) 7.009 6.403 ( 0.155 0.155 -7.441) 7.444 14.938 ( 16.173 16.173 0.070) 22.873 15.971 ( -12.675 -12.675 -3.806) 18.325 16.487 ( -0.802 -0.802 5.370) 5.488 16.549 ( -2.261 -2.261 6.037) 6.832 16.933 ( 3.127 3.127 -3.562) 5.678 17.143 ( -1.740 -1.740 -5.432) 5.964 18.827 ( 7.766 7.766 -7.791) 13.466 19.153 ( 0.106 0.106 -10.686) 10.687 19.836 ( -2.389 -2.389 9.991) 10.547 20.248 ( -13.488 -13.488 4.490) 19.596 22.756 ( -0.643 -0.643 -0.200) 0.931 22.857 ( -2.609 -2.609 0.386) 3.710 24.201 ( 0.757 0.757 0.992) 1.460 24.293 ( -1.074 -1.074 2.366) 2.811 30.641 ( 1.032 1.032 -0.996) 1.767 30.660 ( 0.623 0.623 -1.267) 1.544 32.034 ( 1.505 1.505 -1.739) 2.749 32.096 ( 0.438 0.438 -2.226) 2.310 34.093 ( 3.010 3.010 0.517) 4.289 34.389 ( -5.528 -5.528 -1.267) 7.920 44.327 ( 2.133 2.133 2.884) 4.173 44.365 ( 1.590 1.590 2.531) 3.385 45.508 ( 6.002 6.002 11.533) 14.320 46.001 ( -8.616 -8.616 12.130) 17.194 48.303 ( 3.212 3.212 -1.610) 4.819 48.397 ( 1.781 1.781 -5.873) 6.391 48.953 ( 2.882 2.882 -3.442) 5.335 49.185 ( -4.186 -4.186 6.407) 8.723 97.518 ( 0.001 0.001 -0.328) 0.328 97.785 ( -7.555 -7.555 -1.651) 10.812 98.663 ( 4.379 4.379 -1.219) 6.312 98.791 ( 0.221 0.221 3.726) 3.739 101.629 ( 0.021 0.021 0.064) 0.071 101.644 ( -0.383 -0.383 -0.012) 0.542 102.414 ( 3.444 3.444 -1.429) 5.076 102.689 ( -5.387 -5.387 5.312) 9.287======================= Grid point 112 (29/90) =======================q-point: ( 0.44 0.33 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( 20.059 -11.419 7.743) 24.346 1.742 ( -22.742 -15.461 3.866) 27.770 2.056 ( 2.783 -5.155 0.480) 5.878 2.133 ( -4.564 -4.955 2.533) 7.197 2.801 ( 14.265 9.534 24.490) 29.902 3.065 ( -10.831 4.259 24.795) 27.390 3.464 ( 4.153 4.895 6.106) 8.860 3.516 ( -0.745 1.700 1.251) 2.238 5.015 ( 3.875 -9.180 -5.953) 11.608 5.162 ( -10.290 -12.408 -6.197) 17.270 6.350 ( 2.726 2.005 -7.011) 7.785 6.393 ( -1.360 0.582 -7.393) 7.540 15.291 ( 18.353 7.182 -1.472) 19.763 15.659 ( -17.569 -2.752 -2.932) 18.023 16.485 ( 0.572 -1.818 5.829) 6.133 16.509 ( -1.675 -1.994 5.900) 6.449 17.009 ( 4.125 1.662 -4.339) 6.213 17.088 ( -3.504 -0.127 -4.828) 5.967 18.984 ( 7.428 6.256 -6.192) 11.517 19.109 ( -4.476 3.415 -7.244) 9.175 19.856 ( 4.328 -6.972 7.391) 11.043 20.004 ( -10.130 -10.654 5.371) 15.652 22.763 ( 1.267 -2.347 -0.061) 2.668 22.803 ( -2.548 -3.066 0.190) 3.991 24.226 ( 1.671 -0.446 1.407) 2.230 24.263 ( -1.789 -1.202 1.934) 2.896 30.659 ( 0.688 0.953 -1.192) 1.674 30.667 ( -0.036 0.799 -1.301) 1.527 32.067 ( 1.580 1.837 -1.957) 3.115 32.092 ( -0.807 1.399 -2.160) 2.697 34.170 ( 4.600 -0.292 -0.040) 4.610 34.275 ( -5.613 -3.278 -0.660) 6.533 44.365 ( 1.463 2.417 2.727) 3.927 44.381 ( -0.043 2.200 2.558) 3.374 45.650 ( 7.939 1.128 11.736) 14.214 45.822 ( -8.934 -3.863 11.820) 15.312 48.367 ( 2.853 1.739 -2.396) 4.111 48.407 ( -0.841 1.148 -4.196) 4.430 49.019 ( 3.685 2.047 -1.036) 4.341 49.099 ( -4.237 -0.431 2.245) 4.814 97.552 ( 3.324 -3.534 -0.437) 4.871 97.647 ( -5.917 -6.184 -0.818) 8.598 98.736 ( 2.832 3.642 0.358) 4.628 98.779 ( -1.427 2.243 1.952) 3.299 101.631 ( 0.179 -0.173 0.094) 0.266 101.637 ( -0.333 -0.314 0.075) 0.464 102.492 ( 4.237 0.313 0.450) 4.272 102.584 ( -4.941 -2.602 2.616) 6.167======================= Grid point 121 (30/90) =======================q-point: ( 0.44 0.44 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 3.346 3.346 9.950) 11.018 1.408 ( -15.492 -15.492 8.109) 23.362 2.009 ( 0.060 0.060 0.466) 0.474 2.046 ( -3.325 -3.325 1.539) 4.948 2.991 ( 8.311 8.311 28.334) 30.675 3.099 ( -1.716 -1.716 30.176) 30.273 3.526 ( 1.355 1.355 1.057) 2.189 3.533 ( 0.293 0.293 -2.514) 2.548 4.900 ( -1.656 -1.656 -6.057) 6.494 4.957 ( -7.070 -7.070 -6.043) 11.683 6.384 ( 1.258 1.258 -7.491) 7.699 6.399 ( -0.177 -0.177 -7.596) 7.600 15.439 ( 7.297 7.297 -2.919) 10.725 15.573 ( -5.674 -5.674 -3.575) 8.785 16.461 ( -0.368 -0.368 6.593) 6.614 16.472 ( -1.379 -1.379 6.522) 6.807 17.045 ( 1.769 1.769 -4.747) 5.366 17.075 ( -1.148 -1.148 -4.860) 5.124 19.095 ( 4.284 4.284 -5.754) 8.355 19.143 ( -0.294 -0.294 -6.573) 6.586 19.775 ( -0.707 -0.707 8.395) 8.454 19.831 ( -6.062 -6.062 7.269) 11.240 22.734 ( -0.356 -0.356 -0.132) 0.520 22.750 ( -1.910 -1.910 -0.013) 2.701 24.226 ( 0.380 0.380 1.365) 1.467 24.240 ( -0.978 -0.978 1.567) 2.090 30.674 ( 0.484 0.484 -1.373) 1.534 30.677 ( 0.199 0.199 -1.416) 1.444 32.099 ( 1.153 1.153 -2.180) 2.723 32.109 ( 0.172 0.172 -2.266) 2.279 34.177 ( 1.075 1.075 -0.085) 1.523 34.215 ( -2.544 -2.544 -0.304) 3.611 44.404 ( 1.251 1.251 2.487) 3.052 44.411 ( 0.599 0.599 2.402) 2.547 45.685 ( 2.398 2.398 11.905) 12.379 45.746 ( -3.535 -3.535 11.879) 12.889 48.399 ( 1.320 1.320 -1.813) 2.602 48.416 ( -0.248 -0.248 -2.533) 2.558 49.057 ( 1.712 1.712 -1.270) 2.734 49.085 ( -1.028 -1.028 -0.190) 1.465 97.516 ( -0.045 -0.045 -0.323) 0.329 97.550 ( -3.328 -3.328 -0.431) 4.727 98.789 ( 1.645 1.645 0.839) 2.473 98.803 ( 0.210 0.210 1.353) 1.385 101.629 ( -0.012 -0.012 0.143) 0.144 101.631 ( -0.198 -0.198 0.141) 0.313 102.506 ( 1.126 1.126 0.918) 1.838 102.537 ( -1.989 -1.989 1.620) 3.246======================= Grid point 162 (31/90) =======================q-point: ( 0.00 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 0.000 0.000 28.024) 28.024 1.162 ( 0.000 0.000 28.024) 28.024 1.711 ( 0.000 0.000 -11.386) 11.386 2.627 ( 0.000 0.000 66.731) 66.731 2.723 ( 0.000 0.000 9.005) 9.005 3.274 ( 0.000 0.000 -6.030) 6.030 3.274 ( 0.000 0.000 -6.030) 6.030 5.084 ( 0.000 0.000 -9.542) 9.542 5.084 ( 0.000 0.000 -9.542) 9.542 5.094 ( 0.000 0.000 45.556) 45.556 6.055 ( 0.000 0.000 -11.686) 11.686 6.055 ( 0.000 0.000 -11.686) 11.686 13.483 ( 0.000 0.000 6.633) 6.633 16.592 ( 0.000 0.000 0.624) 0.624 16.592 ( 0.000 0.000 0.624) 0.624 16.618 ( 0.000 0.000 -4.763) 4.763 17.248 ( 0.000 0.000 6.007) 6.007 17.248 ( 0.000 0.000 6.007) 6.007 17.434 ( 0.000 0.000 -18.208) 18.208 17.801 ( 0.000 0.000 -24.527) 24.527 20.730 ( 0.000 0.000 24.209) 24.209 21.820 ( 0.000 0.000 9.788) 9.788 22.777 ( 0.000 0.000 0.038) 0.038 22.777 ( 0.000 0.000 0.038) 0.038 24.056 ( 0.000 0.000 -2.221) 2.221 24.056 ( 0.000 0.000 -2.221) 2.221 30.538 ( 0.000 0.000 -1.920) 1.920 30.611 ( 0.000 0.000 0.262) 0.262 31.993 ( 0.000 0.000 -3.721) 3.721 31.993 ( 0.000 0.000 -3.721) 3.721 33.903 ( 0.000 0.000 1.376) 1.376 34.783 ( 0.000 0.000 -4.662) 4.662 44.268 ( 0.000 0.000 4.974) 4.974 44.268 ( 0.000 0.000 4.974) 4.974 45.149 ( 0.000 0.000 17.142) 17.142 47.820 ( 0.000 0.000 -6.415) 6.415 47.960 ( 0.000 0.000 -2.381) 2.381 47.960 ( 0.000 0.000 -2.381) 2.381 48.118 ( 0.000 0.000 4.547) 4.547 50.848 ( 0.000 0.000 -0.873) 0.873 97.490 ( 0.000 0.000 -0.507) 0.507 97.490 ( 0.000 0.000 -0.507) 0.507 98.278 ( 0.000 0.000 -6.319) 6.319 99.369 ( 0.000 0.000 20.159) 20.159 101.615 ( 0.000 0.000 -0.231) 0.231 101.615 ( 0.000 0.000 -0.231) 0.231 101.673 ( 0.000 0.000 -0.243) 0.243 104.230 ( 0.000 0.000 -10.558) 10.558======================= Grid point 163 (32/90) =======================q-point: ( 0.11 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 8.089 0.000 24.887) 26.169 1.389 ( 19.379 0.000 22.146) 29.428 1.744 ( 3.210 0.000 -9.666) 10.185 2.671 ( 0.911 0.000 42.410) 42.420 2.712 ( 2.287 0.000 28.397) 28.489 3.254 ( -2.093 0.000 -5.421) 5.811 3.278 ( 0.273 0.000 -4.768) 4.776 4.747 ( -22.510 0.000 35.191) 41.774 5.122 ( 3.291 0.000 -8.686) 9.289 5.134 ( 3.583 0.000 -6.877) 7.754 6.043 ( -1.143 0.000 -11.270) 11.327 6.328 ( 16.108 0.000 -10.718) 19.348 13.606 ( 11.995 0.000 6.401) 13.596 16.511 ( -4.609 0.000 -2.062) 5.049 16.620 ( 1.971 0.000 1.037) 2.227 16.714 ( 5.567 0.000 -3.226) 6.434 17.089 ( -7.072 0.000 -3.722) 7.992 17.153 ( -8.423 0.000 5.372) 9.990 17.841 ( 18.963 0.000 -21.407) 28.598 17.893 ( 16.525 0.000 -21.308) 26.965 20.650 ( -7.329 0.000 22.736) 23.888 21.656 ( -14.829 0.000 8.563) 17.123 22.791 ( 1.299 0.000 0.258) 1.324 22.823 ( 3.693 0.000 0.132) 3.695 24.084 ( 2.751 0.000 -1.566) 3.166 24.118 ( 5.487 0.000 -1.266) 5.631 30.545 ( 0.587 0.000 -1.831) 1.923 30.606 ( -0.342 0.000 0.198) 0.395 31.987 ( -0.476 0.000 -3.535) 3.566 31.994 ( 0.051 0.000 -3.899) 3.900 33.906 ( 0.703 0.000 2.485) 2.583 34.748 ( -3.311 0.000 -4.436) 5.535 44.275 ( 0.705 0.000 4.932) 4.982 44.283 ( 1.355 0.000 4.857) 5.043 45.205 ( 5.536 0.000 17.049) 17.925 47.463 ( -21.505 0.000 7.094) 22.645 47.987 ( 2.476 0.000 -2.964) 3.862 48.058 ( 1.787 0.000 -3.000) 3.492 48.307 ( 13.483 0.000 -4.696) 14.277 50.559 ( -24.186 0.000 8.224) 25.546 97.518 ( 2.794 0.000 -0.586) 2.855 97.614 ( 10.439 0.000 -5.195) 11.660 98.269 ( -0.773 0.000 -5.900) 5.950 99.304 ( -6.096 0.000 19.542) 20.470 101.616 ( 0.141 0.000 -0.233) 0.272 101.648 ( 0.730 0.000 -0.906) 1.164 101.742 ( 8.505 0.000 -1.053) 8.570 103.984 ( -20.921 0.000 -1.199) 20.955======================= Grid point 164 (33/90) =======================q-point: ( 0.22 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 14.884 0.000 18.341) 23.620 1.770 ( 10.830 0.000 2.043) 11.021 1.884 ( 15.812 0.000 6.017) 16.918 2.613 ( -3.984 0.000 10.404) 11.141 2.859 ( 9.284 0.000 47.804) 48.697 3.190 ( -3.935 0.000 -2.941) 4.913 3.281 ( -0.051 0.000 -0.624) 0.626 4.339 ( -17.702 0.000 30.031) 34.860 5.200 ( 4.341 0.000 -10.070) 10.966 5.237 ( 6.015 0.000 -8.753) 10.620 6.019 ( -0.849 0.000 -9.862) 9.898 6.523 ( 3.063 0.000 -8.795) 9.314 13.953 ( 21.992 0.000 5.697) 22.718 16.404 ( -6.910 0.000 -3.064) 7.559 16.654 ( 1.163 0.000 1.180) 1.656 16.790 ( -0.425 0.000 0.072) 0.431 16.937 ( -7.131 0.000 -0.593) 7.156 17.003 ( -4.376 0.000 -2.131) 4.867 18.035 ( 9.884 0.000 -19.318) 21.700 18.401 ( 21.368 0.000 -25.379) 33.177 20.471 ( -9.325 0.000 18.240) 20.485 21.288 ( -20.273 0.000 6.151) 21.186 22.823 ( 1.831 0.000 0.581) 1.921 22.893 ( 2.888 0.000 0.209) 2.896 24.160 ( 4.501 0.000 0.113) 4.503 24.242 ( 6.001 0.000 1.034) 6.090 30.561 ( 0.948 0.000 -1.630) 1.886 30.601 ( -0.102 0.000 -0.169) 0.198 31.975 ( -0.704 0.000 -3.106) 3.185 31.991 ( -0.429 0.000 -3.827) 3.851 33.948 ( 3.635 0.000 2.906) 4.654 34.657 ( -5.608 0.000 -4.095) 6.944 44.294 ( 1.116 0.000 5.006) 5.129 44.315 ( 1.611 0.000 4.949) 5.205 45.367 ( 10.339 0.000 17.000) 19.897 47.041 ( -19.999 0.000 14.938) 24.962 48.047 ( 3.049 0.000 -4.552) 5.479 48.098 ( 2.539 0.000 -3.845) 4.608 48.547 ( 10.365 0.000 -6.214) 12.085 50.044 ( -24.498 0.000 13.387) 27.917 97.597 ( 4.872 0.000 -1.018) 4.977 97.826 ( 9.038 0.000 -8.756) 12.584 98.259 ( 0.356 0.000 -4.452) 4.466 99.142 ( -9.563 0.000 17.224) 19.700 101.620 ( 0.266 0.000 -0.241) 0.359 101.651 ( -0.077 0.000 -0.694) 0.698 101.969 ( 12.852 0.000 -2.415) 13.077 103.530 ( -21.908 0.000 7.054) 23.015======================= Grid point 165 (34/90) =======================q-point: ( 0.33 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 16.673 0.000 10.862) 19.899 1.909 ( 6.246 0.000 -3.860) 7.343 2.213 ( 10.977 0.000 9.399) 14.451 2.548 ( -1.531 0.000 6.634) 6.809 2.992 ( 0.882 0.000 20.867) 20.886 3.157 ( 2.453 0.000 10.601) 10.881 3.287 ( 2.434 0.000 13.230) 13.452 4.016 ( -14.780 0.000 27.756) 31.446 5.289 ( 4.268 0.000 -12.313) 13.031 5.350 ( 4.454 0.000 -10.292) 11.214 6.030 ( 2.547 0.000 -7.165) 7.604 6.484 ( -5.959 0.000 -6.012) 8.465 14.470 ( 28.530 0.000 4.501) 28.883 16.162 ( -18.538 0.000 -2.314) 18.682 16.644 ( -2.528 0.000 -2.175) 3.335 16.698 ( -2.737 0.000 8.864) 9.277 16.917 ( 1.233 0.000 -5.279) 5.421 16.945 ( -1.546 0.000 -1.632) 2.248 18.257 ( 11.931 0.000 -16.033) 19.985 18.688 ( 6.830 0.000 -20.353) 21.469 20.323 ( -4.114 0.000 11.171) 11.905 20.881 ( -19.150 0.000 3.747) 19.513 22.863 ( 2.012 0.000 0.683) 2.125 22.931 ( 0.852 0.000 0.363) 0.926 24.255 ( 4.633 0.000 2.092) 5.084 24.338 ( 3.303 0.000 3.101) 4.531 30.580 ( 0.931 0.000 -1.419) 1.697 30.602 ( 0.097 0.000 -0.637) 0.644 31.962 ( -0.514 0.000 -2.724) 2.772 31.978 ( -0.766 0.000 -3.352) 3.439 34.052 ( 6.498 0.000 1.526) 6.675 34.526 ( -7.295 0.000 -3.423) 8.058 44.318 ( 1.224 0.000 5.252) 5.393 44.342 ( 0.962 0.000 5.227) 5.315 45.616 ( 14.131 0.000 17.281) 22.324 46.653 ( -18.731 0.000 17.770) 25.819 48.103 ( 2.604 0.000 -6.281) 6.799 48.152 ( 2.283 0.000 -6.046) 6.462 48.746 ( 10.000 0.000 -3.054) 10.456 49.601 ( -19.537 0.000 10.171) 22.026 97.707 ( 5.716 0.000 -2.163) 6.111 97.937 ( 1.529 0.000 -8.006) 8.151 98.316 ( 5.893 0.000 -1.349) 6.045 98.931 ( -11.141 0.000 13.393) 17.421 101.627 ( 0.354 0.000 -0.266) 0.443 101.648 ( -0.241 0.000 -0.545) 0.596 102.237 ( 13.539 0.000 -1.374) 13.608 103.130 ( -17.789 0.000 7.029) 19.128======================= Grid point 166 (35/90) =======================q-point: ( 0.44 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( 5.743 0.000 -2.705) 6.348 2.073 ( 5.238 0.000 2.416) 5.768 2.327 ( 6.148 0.000 8.565) 10.543 2.498 ( -6.598 0.000 5.231) 8.420 3.021 ( 4.759 0.000 10.164) 11.223 3.135 ( -4.739 0.000 6.354) 7.927 3.461 ( 12.486 0.000 30.098) 32.585 3.730 ( -13.786 0.000 28.443) 31.608 5.364 ( 2.951 0.000 -13.376) 13.698 5.397 ( 0.096 0.000 -12.690) 12.690 6.136 ( 7.805 0.000 -4.599) 9.059 6.319 ( -9.501 0.000 -4.382) 10.463 15.076 ( 30.765 0.000 2.793) 30.891 15.678 ( -28.050 0.000 0.523) 28.055 16.624 ( 0.817 0.000 0.806) 1.147 16.658 ( -2.037 0.000 3.693) 4.217 16.930 ( 0.362 0.000 -5.137) 5.150 16.936 ( -0.089 0.000 0.331) 0.343 18.501 ( 11.628 0.000 -13.561) 17.864 18.689 ( -5.839 0.000 -14.465) 15.599 20.338 ( 5.724 0.000 4.631) 7.363 20.542 ( -13.991 0.000 2.536) 14.219 22.902 ( 1.795 0.000 0.631) 1.903 22.930 ( -0.864 0.000 0.519) 1.008 24.335 ( 3.072 0.000 3.571) 4.711 24.370 ( -0.177 0.000 3.990) 3.994 30.596 ( 0.568 0.000 -1.219) 1.345 30.603 ( -0.107 0.000 -0.981) 0.987 31.957 ( 0.030 0.000 -2.622) 2.622 31.963 ( -0.588 0.000 -2.864) 2.924 34.201 ( 8.056 0.000 -0.425) 8.067 34.368 ( -8.235 0.000 -2.177) 8.518 44.341 ( 0.895 0.000 5.432) 5.506 44.351 ( -0.063 0.000 5.420) 5.420 45.929 ( 16.713 0.000 17.846) 24.450 46.281 ( -18.051 0.000 18.266) 25.681 48.151 ( 1.989 0.000 -7.453) 7.714 48.175 ( -0.134 0.000 -7.494) 7.496 48.968 ( 12.316 0.000 1.156) 12.370 49.249 ( -15.546 0.000 5.489) 16.486 97.819 ( 5.247 0.000 -4.002) 6.598 97.910 ( -3.426 0.000 -6.062) 6.963 98.483 ( 9.997 0.000 3.342) 10.541 98.702 ( -11.326 0.000 8.594) 14.218 101.634 ( 0.382 0.000 -0.321) 0.499 101.642 ( -0.340 0.000 -0.416) 0.537 102.513 ( 13.856 0.000 1.098) 13.900 102.802 ( -15.027 0.000 4.178) 15.597======================= Grid point 172 (36/90) =======================q-point: ( 0.11 0.11 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( 0.633 0.633 23.611) 23.628 1.637 ( 17.173 17.173 20.935) 32.064 1.771 ( 2.588 2.588 -8.473) 9.230 2.671 ( -2.466 -2.466 8.226) 8.934 2.755 ( 6.414 6.414 56.605) 57.327 3.214 ( -3.003 -3.003 -2.339) 4.849 3.299 ( 1.162 1.162 -5.885) 6.110 4.594 ( -13.002 -13.002 35.495) 39.975 5.062 ( -1.160 -1.160 -9.739) 9.876 5.228 ( 5.465 5.465 -10.093) 12.713 6.099 ( 1.899 1.899 -11.701) 12.006 6.368 ( 4.078 4.078 -8.697) 10.436 13.720 ( 11.138 11.138 6.118) 16.898 16.528 ( -0.834 -0.834 -2.314) 2.597 16.552 ( -2.243 -2.243 -0.623) 3.233 16.789 ( 4.376 4.376 -0.985) 6.266 17.037 ( -3.322 -3.322 -5.678) 7.370 17.102 ( -6.208 -6.208 5.036) 10.122 17.937 ( 5.881 5.881 -20.904) 22.498 18.076 ( 18.601 18.601 -24.267) 35.789 20.578 ( -6.673 -6.673 21.627) 23.596 21.523 ( -12.459 -12.459 8.161) 19.418 22.778 ( 0.009 0.009 -0.129) 0.129 22.867 ( 2.832 2.832 0.466) 4.032 24.098 ( 1.692 1.692 -2.078) 3.169 24.177 ( 4.898 4.898 0.592) 6.953 30.550 ( 0.557 0.557 -1.751) 1.920 30.605 ( -0.124 -0.124 0.043) 0.181 31.980 ( -0.595 -0.595 -3.605) 3.702 31.999 ( 0.327 0.327 -3.719) 3.748 33.914 ( 1.013 1.013 2.932) 3.263 34.717 ( -3.043 -3.043 -4.302) 6.085 44.285 ( 0.799 0.799 4.794) 4.926 44.297 ( 1.353 1.353 4.913) 5.272 45.258 ( 5.121 5.121 17.066) 18.539 47.287 ( -14.787 -14.787 10.773) 23.524 48.006 ( 2.177 2.177 -2.384) 3.894 48.073 ( 1.282 1.282 -3.151) 3.635 48.417 ( 8.563 8.563 -6.959) 13.967 50.351 ( -18.030 -18.030 11.831) 28.110 97.495 ( 0.241 0.241 -0.515) 0.618 97.746 ( 9.210 9.210 -7.469) 15.015 98.264 ( -0.291 -0.291 -5.427) 5.442 99.251 ( -5.050 -5.050 18.714) 20.030 101.618 ( 0.150 0.150 -0.215) 0.302 101.651 ( 0.132 0.132 -0.803) 0.824 101.821 ( 7.530 7.530 -1.935) 10.824 103.799 ( -16.188 -16.188 3.475) 23.156======================= Grid point 173 (37/90) =======================q-point: ( 0.22 0.11 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 12.590 -10.158 17.945) 24.160 1.834 ( 4.127 2.634 -5.052) 7.035 2.006 ( 17.646 11.072 17.052) 26.921 2.598 ( -4.275 -1.891 7.969) 9.239 2.915 ( 7.411 4.186 38.702) 39.627 3.151 ( -2.000 -1.686 6.503) 7.010 3.316 ( 0.544 2.413 -3.805) 4.538 4.308 ( -14.385 -3.058 31.663) 34.911 5.084 ( 3.038 -6.512 -9.060) 11.564 5.337 ( 4.871 5.322 -12.376) 14.325 6.085 ( -2.016 5.388 -10.131) 11.651 6.437 ( 1.298 -7.681 -6.718) 10.286 14.043 ( 20.500 8.784 5.267) 22.916 16.416 ( -8.214 0.530 -3.154) 8.815 16.584 ( 2.064 -4.746 -1.033) 5.277 16.835 ( -1.720 1.922 2.223) 3.406 16.924 ( -7.124 -1.558 2.560) 7.728 16.998 ( -1.494 -0.152 -5.409) 5.614 18.092 ( 9.340 5.343 -18.368) 21.287 18.468 ( 17.335 6.472 -25.557) 31.552 20.414 ( -8.511 -5.197 18.015) 20.591 21.197 ( -18.668 -8.787 6.739) 21.705 22.796 ( 1.529 -1.805 0.045) 2.366 22.915 ( 1.679 1.263 0.486) 2.156 24.153 ( 3.620 -0.137 -0.701) 3.690 24.282 ( 4.909 3.229 2.497) 6.384 30.566 ( 0.911 0.488 -1.581) 1.889 30.604 ( 0.069 0.234 -0.402) 0.471 31.967 ( -0.596 -0.485 -3.154) 3.246 32.002 ( -0.129 0.818 -3.691) 3.783 33.958 ( 3.507 1.071 2.798) 4.612 34.631 ( -5.352 -2.568 -3.968) 7.141 44.305 ( 1.215 1.029 4.969) 5.218 44.330 ( 1.694 1.426 4.900) 5.377 45.407 ( 9.604 3.973 17.215) 20.109 46.953 ( -17.303 -8.214 15.511) 24.647 48.066 ( 3.247 1.952 -3.472) 5.139 48.111 ( 2.586 1.327 -4.410) 5.282 48.592 ( 8.414 3.983 -6.803) 11.530 49.944 ( -20.446 -9.191 12.993) 25.910 97.539 ( 3.770 -3.381 -0.812) 5.128 97.905 ( 5.139 4.490 -8.721) 11.074 98.277 ( 2.367 2.333 -4.031) 5.224 99.114 ( -8.183 -2.728 16.142) 18.302 101.622 ( 0.230 0.132 -0.210) 0.338 101.651 ( -0.098 -0.011 -0.638) 0.646 102.018 ( 11.265 4.657 -2.466) 12.437 103.430 ( -18.643 -9.205 7.622) 22.145======================= Grid point 174 (38/90) =======================q-point: ( 0.33 0.11 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 17.317 -13.430 10.578) 24.333 1.930 ( 5.371 0.798 -3.107) 6.256 2.289 ( 7.792 5.961 11.261) 14.935 2.525 ( -1.993 -2.348 6.967) 7.617 2.946 ( -2.108 -4.806 12.102) 13.191 3.205 ( 3.214 5.324 15.615) 16.808 3.344 ( 4.795 4.737 13.374) 14.976 4.027 ( -13.392 0.943 29.576) 32.480 5.170 ( 5.118 -8.573 -9.308) 13.650 5.401 ( 0.952 1.892 -13.292) 13.459 6.067 ( 1.118 3.180 -7.452) 8.179 6.404 ( -4.353 -7.110 -5.711) 10.105 14.526 ( 26.774 5.514 3.864) 27.607 16.149 ( -19.022 -1.670 -3.010) 19.331 16.613 ( 0.682 -1.907 -0.555) 2.100 16.721 ( -4.709 1.252 6.895) 8.443 16.885 ( 0.335 -1.941 -1.567) 2.516 16.983 ( -0.671 2.300 -4.469) 5.071 18.307 ( 11.695 4.822 -15.326) 19.872 18.715 ( 6.432 2.658 -20.190) 21.356 20.278 ( -3.971 -4.214 11.979) 13.305 20.813 ( -18.478 -6.635 4.768) 20.204 22.834 ( 2.164 -2.401 0.355) 3.252 22.932 ( -0.020 -0.293 0.504) 0.583 24.236 ( 4.366 -1.369 1.407) 4.787 24.356 ( 2.151 1.213 3.769) 4.506 30.585 ( 0.920 0.439 -1.434) 1.759 30.607 ( 0.155 0.438 -0.871) 0.987 31.959 ( -0.146 0.001 -2.768) 2.772 31.993 ( -0.712 1.196 -3.397) 3.671 34.056 ( 6.053 0.397 1.449) 6.236 34.505 ( -7.017 -2.064 -3.250) 8.003 44.332 ( 1.332 1.264 5.222) 5.535 44.358 ( 0.993 1.538 5.083) 5.402 45.639 ( 13.183 2.298 17.570) 22.085 46.604 ( -17.199 -4.609 17.702) 25.108 48.126 ( 2.708 2.181 -5.673) 6.653 48.168 ( 2.480 1.536 -5.959) 6.635 48.764 ( 9.045 1.662 -3.540) 9.855 49.559 ( -17.597 -4.019 9.417) 20.359 97.635 ( 5.524 -5.289 -1.589) 7.811 97.933 ( -1.779 -1.649 -6.979) 7.388 98.376 ( 7.062 5.524 -1.637) 9.114 98.932 ( -9.627 0.001 12.154) 15.505 101.627 ( 0.315 0.062 -0.225) 0.392 101.647 ( -0.243 -0.022 -0.487) 0.545 102.257 ( 12.273 1.958 -1.257) 12.491 103.078 ( -16.077 -4.918 6.768) 18.124======================= Grid point 175 (39/90) =======================q-point: ( 0.44 0.11 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( 11.307 -9.292 2.764) 14.894 2.029 ( 2.777 -2.599 -0.411) 3.826 2.331 ( 1.627 -0.430 6.439) 6.655 2.455 ( -7.297 -4.469 5.542) 10.195 2.995 ( 7.373 -1.075 12.103) 14.212 3.153 ( -6.540 2.295 6.842) 9.739 3.533 ( 11.341 5.982 27.649) 30.477 3.770 ( -12.136 3.503 28.586) 31.252 5.278 ( 5.325 -7.483 -10.828) 14.199 5.372 ( -3.519 -3.556 -12.567) 13.527 6.141 ( 5.961 0.556 -5.837) 8.361 6.281 ( -7.177 -3.191 -5.417) 9.541 15.097 ( 29.172 2.108 1.950) 29.313 15.673 ( -27.057 -0.628 -0.427) 27.068 16.626 ( 1.121 0.184 1.426) 1.823 16.660 ( -2.136 0.235 4.163) 4.685 16.912 ( 2.131 -0.848 -2.367) 3.296 16.957 ( -1.936 1.095 -2.816) 3.588 18.545 ( 11.257 4.299 -13.053) 17.764 18.723 ( -5.172 3.211 -14.293) 15.536 20.288 ( 5.280 -4.666 5.921) 9.203 20.483 ( -13.580 -5.591 3.727) 15.151 22.879 ( 2.155 -2.173 0.507) 3.102 22.916 ( -1.429 -1.449 0.535) 2.104 24.318 ( 3.489 -1.488 3.167) 4.941 24.366 ( -1.098 -0.514 4.024) 4.203 30.600 ( 0.588 0.444 -1.324) 1.515 30.608 ( -0.119 0.474 -1.168) 1.266 31.962 ( 0.477 0.660 -2.717) 2.837 31.977 ( -0.862 1.148 -2.984) 3.312 34.195 ( 7.584 -0.560 -0.351) 7.612 34.353 ( -7.860 -1.417 -2.013) 8.237 44.356 ( 0.968 1.450 5.345) 5.622 44.367 ( -0.092 1.547 5.280) 5.503 45.932 ( 15.608 0.272 18.024) 23.844 46.260 ( -16.810 -2.012 18.252) 24.895 48.174 ( 1.921 2.172 -7.061) 7.633 48.195 ( 0.047 1.911 -7.182) 7.432 48.970 ( 11.621 0.181 0.683) 11.643 49.235 ( -14.573 -1.377 4.941) 15.449 97.752 ( 5.827 -5.635 -2.951) 8.627 97.862 ( -4.824 -4.555 -4.819) 8.200 98.542 ( 9.056 5.029 2.426) 10.639 98.734 ( -9.823 2.771 7.352) 12.579 101.634 ( 0.360 0.002 -0.271) 0.450 101.641 ( -0.336 -0.023 -0.359) 0.492 102.510 ( 12.788 -0.266 1.100) 12.838 102.778 ( -13.894 -2.345 3.991) 14.645======================= Grid point 182 (40/90) =======================q-point: ( 0.22 0.22 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 1.026 1.026 18.039) 18.097 1.882 ( 2.595 2.595 -4.338) 5.682 2.253 ( 11.996 11.996 17.476) 24.356 2.533 ( -4.307 -4.307 6.621) 8.997 2.913 ( -4.536 -4.536 11.202) 12.908 3.226 ( 8.724 8.724 30.159) 32.585 3.359 ( 1.649 1.649 -5.868) 6.314 4.212 ( -6.642 -6.642 34.690) 35.939 4.983 ( -2.786 -2.786 -10.116) 10.856 5.418 ( 1.878 1.878 -14.336) 14.580 6.176 ( 1.507 1.507 -11.763) 11.954 6.274 ( -5.714 -5.714 -2.555) 8.475 14.299 ( 16.335 16.335 4.028) 23.450 16.347 ( -8.934 -8.934 -4.599) 13.446 16.543 ( 1.452 1.452 -1.124) 2.341 16.842 ( -1.097 -1.097 -0.449) 1.615 16.846 ( -5.098 -5.098 8.560) 11.191 17.016 ( 1.212 1.212 -6.780) 6.993 18.238 ( 8.920 8.920 -16.165) 20.504 18.637 ( 9.169 9.169 -23.774) 27.081 20.286 ( -6.757 -6.757 16.564) 19.123 20.951 ( -14.930 -14.930 7.402) 22.375 22.772 ( -0.358 -0.358 -0.301) 0.589 22.928 ( -0.049 -0.049 0.598) 0.602 24.167 ( 1.599 1.599 -0.421) 2.301 24.345 ( 2.485 2.485 3.829) 5.197 30.579 ( 0.827 0.827 -1.521) 1.919 30.610 ( 0.390 0.390 -0.915) 1.068 31.961 ( -0.062 -0.062 -2.907) 2.908 32.017 ( 0.482 0.482 -3.741) 3.803 33.996 ( 2.746 2.746 2.270) 4.498 34.556 ( -4.715 -4.715 -3.541) 7.551 44.332 ( 1.566 1.566 5.059) 5.522 44.365 ( 1.882 1.882 4.749) 5.444 45.524 ( 7.526 7.526 17.733) 20.682 46.740 ( -12.216 -12.216 16.714) 24.038 48.123 ( 3.402 3.402 -2.459) 5.403 48.151 ( 2.591 2.591 -5.902) 6.947 48.688 ( 5.344 5.344 -6.574) 10.017 49.713 ( -12.887 -12.887 10.921) 21.246 97.505 ( 0.199 0.199 -0.526) 0.597 97.934 ( -1.711 -1.711 -7.038) 7.443 98.369 ( 6.371 6.371 -3.551) 9.684 99.036 ( -4.826 -4.826 13.260) 14.913 101.625 ( 0.160 0.160 -0.162) 0.278 101.650 ( -0.116 -0.116 -0.500) 0.526 102.145 ( 7.608 7.608 -2.079) 10.958 103.201 ( -12.553 -12.553 7.561) 19.296======================= Grid point 183 (41/90) =======================q-point: ( 0.33 0.22 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 14.168 -10.464 13.717) 22.325 1.943 ( 3.228 0.785 -2.434) 4.118 2.381 ( -2.769 0.746 7.272) 7.817 2.451 ( -3.522 -5.340 6.698) 9.262 2.858 ( 3.037 -0.999 14.559) 14.906 3.335 ( -1.374 6.357 3.587) 7.427 3.456 ( 9.966 6.142 21.321) 24.323 4.044 ( -9.519 0.347 34.875) 36.152 4.984 ( 2.803 -8.972 -9.177) 13.137 5.386 ( -5.172 -4.148 -12.676) 14.305 6.132 ( -1.315 2.643 -7.163) 7.747 6.255 ( -0.231 -5.937 -7.586) 9.636 14.688 ( 21.741 10.375 2.139) 24.185 16.071 ( -17.983 -6.629 -4.673) 19.727 16.591 ( 2.437 -0.030 1.108) 2.678 16.734 ( -4.580 -0.028 7.458) 8.752 16.845 ( 1.210 -1.842 -1.646) 2.751 17.019 ( -1.108 1.026 -5.110) 5.328 18.444 ( 11.169 8.491 -13.397) 19.399 18.791 ( 5.047 4.620 -18.893) 20.094 20.173 ( -3.690 -5.605 13.156) 14.769 20.627 ( -16.208 -11.243 7.057) 20.950 22.783 ( 1.371 -2.338 -0.123) 2.713 22.912 ( -1.483 -1.662 0.590) 2.305 24.216 ( 3.137 -0.398 0.943) 3.299 24.371 ( 0.023 0.078 4.205) 4.206 30.597 ( 0.878 0.746 -1.555) 1.935 30.618 ( 0.282 0.604 -1.366) 1.520 31.966 ( 0.588 0.715 -2.792) 2.942 32.019 ( -0.318 1.157 -3.647) 3.840 34.071 ( 4.675 1.172 1.217) 4.971 34.445 ( -6.186 -3.779 -2.730) 7.746 44.365 ( 1.642 1.972 5.150) 5.754 44.397 ( 1.138 2.150 4.759) 5.345 45.707 ( 10.475 4.422 18.230) 21.485 46.478 ( -13.447 -7.538 17.739) 23.501 48.187 ( 2.774 3.658 -4.324) 6.307 48.211 ( 2.841 2.545 -6.045) 7.148 48.810 ( 6.946 2.865 -4.239) 8.627 49.448 ( -13.068 -6.724 7.350) 16.432 97.543 ( 3.345 -3.329 -0.788) 4.785 97.859 ( -5.061 -5.254 -4.657) 8.655 98.510 ( 7.220 7.013 -1.752) 10.217 98.924 ( -6.129 -0.865 9.380) 11.238 101.629 ( 0.218 0.048 -0.141) 0.264 101.646 ( -0.249 -0.123 -0.343) 0.441 102.314 ( 9.022 3.602 -0.804) 9.748 102.948 ( -12.156 -7.482 5.876) 15.437======================= Grid point 184 (42/90) =======================q-point: ( 0.44 0.22 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( 17.382 -12.622 7.546) 22.768 1.964 ( -4.409 -3.974 0.686) 5.975 2.274 ( -3.879 -6.651 4.577) 8.957 2.319 ( -6.764 -7.504 5.307) 11.411 3.034 ( 11.298 5.446 12.940) 18.021 3.238 ( -7.934 5.957 4.854) 11.045 3.659 ( 9.656 5.837 26.217) 28.542 3.849 ( -9.481 3.921 31.047) 32.698 5.084 ( 6.692 -11.203 -8.349) 15.492 5.240 ( -8.264 -9.453 -9.576) 15.791 6.157 ( 2.959 0.851 -8.052) 8.620 6.221 ( -2.870 -2.136 -8.515) 9.236 15.158 ( 24.339 3.822 -0.161) 24.638 15.646 ( -23.375 -2.189 -2.609) 23.622 16.629 ( 1.545 0.071 3.793) 4.096 16.666 ( -2.350 0.249 5.805) 6.268 16.897 ( 3.621 -0.647 -3.439) 5.036 16.972 ( -3.365 0.312 -4.236) 5.419 18.665 ( 10.015 7.277 -11.634) 16.988 18.810 ( -3.460 5.127 -13.520) 14.868 20.169 ( 3.908 -6.455 8.857) 11.636 20.334 ( -12.031 -8.577 6.748) 16.243 22.822 ( 2.384 -3.193 0.225) 3.992 22.872 ( -2.386 -2.841 0.476) 3.740 24.285 ( 3.503 -1.546 2.514) 4.580 24.347 ( -2.338 -1.396 3.713) 4.604 30.612 ( 0.596 0.700 -1.625) 1.867 30.620 ( -0.117 0.678 -1.596) 1.738 31.983 ( 1.052 1.354 -2.971) 3.430 32.005 ( -0.973 1.529 -3.330) 3.791 34.181 ( 6.167 -0.736 -0.153) 6.213 34.313 ( -6.721 -2.461 -1.550) 7.323 44.395 ( 1.148 2.252 5.101) 5.693 44.408 ( -0.105 2.314 4.930) 5.447 45.941 ( 12.526 0.695 18.462) 22.321 46.205 ( -13.490 -3.322 18.320) 22.993 48.233 ( 1.670 3.484 -5.939) 7.085 48.246 ( 0.517 3.020 -6.245) 6.956 48.976 ( 9.622 0.433 -0.567) 9.648 49.194 ( -11.858 -2.535 3.382) 12.589 97.631 ( 5.243 -5.637 -1.527) 7.849 97.746 ( -5.885 -6.340 -2.799) 9.092 98.654 ( 7.046 5.498 1.405) 9.047 98.793 ( -6.766 2.748 5.256) 8.998 101.634 ( 0.297 -0.060 -0.157) 0.341 101.640 ( -0.320 -0.115 -0.222) 0.406 102.505 ( 9.914 -0.089 1.151) 9.981 102.715 ( -10.940 -3.598 3.489) 12.033======================= Grid point 192 (43/90) =======================q-point: ( 0.33 0.33 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( 3.221 3.221 15.014) 15.690 1.971 ( 1.792 1.792 -1.123) 2.772 2.243 ( -13.820 -13.820 5.715) 20.363 2.323 ( -6.014 -6.014 4.801) 9.767 2.968 ( 10.220 10.220 15.680) 21.326 3.419 ( 1.222 1.222 -6.012) 6.255 3.596 ( 7.769 7.769 28.568) 30.608 4.019 ( -3.290 -3.290 40.121) 40.390 4.848 ( -3.557 -3.557 -10.401) 11.553 5.231 ( -10.385 -10.385 -8.945) 17.197 6.153 ( 0.211 0.211 -6.904) 6.910 6.206 ( 0.080 0.080 -11.824) 11.825 14.937 ( 14.172 14.172 -0.204) 20.043 15.876 ( -12.537 -12.537 -5.544) 18.576 16.605 ( 1.099 1.099 4.465) 4.727 16.713 ( -2.113 -2.113 10.115) 10.548 16.835 ( 1.326 1.326 -6.070) 6.353 17.017 ( -1.361 -1.361 -5.518) 5.844 18.635 ( 9.999 9.999 -11.005) 17.918 18.881 ( 3.699 3.699 -15.756) 16.601 20.074 ( -3.634 -3.634 12.981) 13.962 20.383 ( -12.327 -12.327 9.076) 19.654 22.751 ( -0.611 -0.611 -0.308) 0.917 22.866 ( -2.763 -2.763 0.521) 3.942 24.224 ( 1.216 1.216 1.234) 2.116 24.356 ( -1.538 -1.538 3.885) 4.452 30.613 ( 0.786 0.786 -1.793) 2.110 30.629 ( 0.409 0.409 -1.808) 1.899 31.987 ( 1.260 1.260 -2.999) 3.489 32.035 ( 0.405 0.405 -3.812) 3.855 34.106 ( 2.445 2.445 0.772) 3.544 34.357 ( -4.778 -4.778 -1.904) 7.021 44.407 ( 1.979 1.979 4.995) 5.726 44.436 ( 1.492 1.492 4.530) 4.998 45.816 ( 6.371 6.371 18.792) 20.840 46.312 ( -8.768 -8.768 18.088) 21.930 48.259 ( 3.077 3.077 -2.685) 5.113 48.265 ( 2.761 2.761 -6.807) 7.847 48.881 ( 4.364 4.364 -3.935) 7.319 49.297 ( -7.951 -7.951 4.413) 12.080 97.509 ( 0.005 0.005 -0.521) 0.521 97.740 ( -6.129 -6.129 -2.687) 9.074 98.642 ( 6.010 6.010 -0.668) 8.526 98.893 ( -2.238 -2.238 6.365) 7.109 101.630 ( 0.073 0.073 -0.074) 0.127 101.642 ( -0.245 -0.245 -0.189) 0.394 102.400 ( 4.880 4.880 0.083) 6.902 102.791 ( -7.789 -7.789 4.441) 11.877======================= Grid point 193 (44/90) =======================q-point: ( 0.44 0.33 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 15.715 -7.584 11.891) 21.116 1.851 ( -17.408 -8.539 6.531) 20.460 2.086 ( 3.300 -7.806 2.950) 8.973 2.195 ( -6.357 -5.886 3.616) 9.388 3.194 ( 10.960 9.456 8.671) 16.874 3.372 ( -5.926 6.408 -0.786) 8.763 3.758 ( 8.021 4.108 30.870) 32.159 3.912 ( -6.914 1.855 37.455) 38.132 4.860 ( 4.590 -9.885 -8.723) 13.960 5.014 ( -10.013 -11.935 -7.175) 17.152 6.173 ( 1.539 0.797 -9.964) 10.113 6.201 ( -0.928 -0.195 -11.244) 11.284 15.249 ( 16.383 5.154 -2.633) 17.375 15.582 ( -16.078 -4.179 -4.642) 17.248 16.630 ( 1.384 0.008 7.224) 7.355 16.665 ( -2.195 -0.440 8.992) 9.267 16.891 ( 3.737 0.229 -6.789) 7.752 16.967 ( -3.392 -0.835 -6.195) 7.112 18.820 ( 7.531 7.465 -9.938) 14.532 18.912 ( -1.290 4.499 -11.930) 12.815 20.051 ( 1.897 -4.798 11.555) 12.655 20.161 ( -8.843 -7.979 10.242) 15.709 22.761 ( 1.559 -2.557 -0.090) 2.996 22.808 ( -2.846 -3.305 0.272) 4.370 24.262 ( 2.400 -0.667 2.044) 3.222 24.313 ( -2.532 -1.763 3.047) 4.337 30.627 ( 0.516 0.657 -2.003) 2.170 30.632 ( -0.042 0.528 -2.031) 2.099 32.013 ( 1.265 1.499 -3.368) 3.897 32.033 ( -0.606 1.149 -3.706) 3.927 34.170 ( 3.862 -0.220 0.045) 3.869 34.259 ( -4.791 -2.755 -0.909) 5.601 44.440 ( 1.242 2.107 4.760) 5.352 44.453 ( 0.090 1.908 4.552) 4.937 45.962 ( 7.955 1.433 18.905) 20.561 46.132 ( -8.826 -3.737 18.583) 20.909 48.304 ( 1.332 3.201 -4.376) 5.583 48.308 ( 1.026 2.824 -4.827) 5.686 48.990 ( 6.415 1.007 -2.005) 6.796 49.136 ( -7.845 -3.176 1.087) 8.533 97.540 ( 2.993 -3.179 -0.740) 4.428 97.624 ( -5.156 -5.387 -1.422) 7.592 98.751 ( 4.746 3.993 1.239) 6.325 98.835 ( -3.555 1.224 3.618) 5.218 101.632 ( 0.182 -0.088 -0.052) 0.209 101.637 ( -0.272 -0.201 -0.086) 0.349 102.510 ( 5.976 0.614 1.336) 6.154 102.641 ( -7.020 -3.568 2.835) 8.369======================= Grid point 202 (45/90) =======================q-point: ( 0.44 0.44 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 3.632 3.632 14.218) 15.118 1.620 ( -12.014 -12.014 12.704) 21.215 2.025 ( 0.806 0.806 1.112) 1.592 2.085 ( -4.621 -4.621 2.331) 6.939 3.374 ( 7.330 7.330 0.173) 10.368 3.451 ( 0.350 0.350 -6.035) 6.055 3.838 ( 4.058 4.058 41.677) 42.070 3.909 ( -2.231 -2.231 44.494) 44.606 4.733 ( -1.705 -1.705 -10.510) 10.783 4.802 ( -7.964 -7.964 -8.389) 14.044 6.189 ( 0.718 0.718 -11.450) 11.495 6.199 ( -0.223 -0.223 -11.902) 11.906 15.362 ( 5.930 5.930 -4.606) 9.568 15.481 ( -5.635 -5.635 -5.408) 9.631 16.634 ( 0.481 0.481 9.979) 10.002 16.649 ( -0.967 -0.967 10.899) 10.984 16.909 ( 1.420 1.420 -8.837) 9.063 16.941 ( -1.599 -1.599 -8.143) 8.451 18.942 ( 4.061 4.061 -9.204) 10.849 18.972 ( 1.023 1.023 -10.104) 10.207 19.993 ( -0.608 -0.608 12.916) 12.944 20.032 ( -4.427 -4.427 12.594) 14.064 22.730 ( -0.321 -0.321 -0.210) 0.501 22.750 ( -2.152 -2.152 -0.030) 3.043 24.260 ( 0.503 0.503 1.974) 2.098 24.280 ( -1.418 -1.418 2.359) 3.096 30.637 ( 0.337 0.337 -2.269) 2.319 30.639 ( 0.124 0.124 -2.287) 2.294 32.039 ( 0.920 0.920 -3.743) 3.962 32.047 ( 0.155 0.155 -3.884) 3.890 34.177 ( 0.924 0.924 0.038) 1.308 34.208 ( -2.140 -2.140 -0.305) 3.042 44.473 ( 1.037 1.037 4.455) 4.690 44.479 ( 0.554 0.554 4.359) 4.429 46.001 ( 2.444 2.444 19.087) 19.397 46.060 ( -3.358 -3.358 18.924) 19.511 48.351 ( 1.231 1.231 -3.826) 4.203 48.351 ( 1.244 1.244 -2.933) 3.420 49.020 ( 2.046 2.046 -2.517) 3.835 49.072 ( -3.001 -3.001 -1.275) 4.431 97.508 ( -0.042 -0.042 -0.508) 0.511 97.538 ( -3.000 -3.000 -0.718) 4.302 98.814 ( 2.235 2.235 1.674) 3.577 98.841 ( -0.533 -0.533 2.472) 2.585 101.631 ( 0.012 0.012 -0.000) 0.018 101.633 ( -0.159 -0.159 -0.009) 0.226 102.532 ( 1.643 1.643 1.692) 2.874 102.577 ( -2.740 -2.740 2.204) 4.457======================= Grid point 243 (46/90) =======================q-point: ( 0.00 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 0.000 0.000 -10.508) 10.508 1.690 ( 0.000 0.000 25.272) 25.272 1.690 ( 0.000 0.000 25.272) 25.272 2.885 ( 0.000 0.000 7.219) 7.219 3.128 ( 0.000 0.000 -8.452) 8.452 3.128 ( 0.000 0.000 -8.452) 8.452 3.897 ( 0.000 0.000 60.756) 60.756 4.859 ( 0.000 0.000 -13.170) 13.170 4.859 ( 0.000 0.000 -13.170) 13.170 5.817 ( 0.000 0.000 -11.641) 11.641 5.817 ( 0.000 0.000 -11.641) 11.641 5.966 ( 0.000 0.000 40.594) 40.594 13.631 ( 0.000 0.000 8.067) 8.067 16.436 ( 0.000 0.000 -14.379) 14.379 16.589 ( 0.000 0.000 -0.804) 0.804 16.589 ( 0.000 0.000 -0.804) 0.804 17.116 ( 0.000 0.000 -12.131) 12.131 17.338 ( 0.000 0.000 -21.655) 21.655 17.391 ( 0.000 0.000 8.009) 8.009 17.391 ( 0.000 0.000 8.009) 8.009 21.164 ( 0.000 0.000 19.027) 19.027 22.041 ( 0.000 0.000 12.066) 12.066 22.777 ( 0.000 0.000 -0.012) 0.012 22.777 ( 0.000 0.000 -0.012) 0.012 24.009 ( 0.000 0.000 -2.405) 2.405 24.009 ( 0.000 0.000 -2.405) 2.405 30.498 ( 0.000 0.000 -2.065) 2.065 30.616 ( 0.000 0.000 0.226) 0.226 31.913 ( 0.000 0.000 -4.150) 4.150 31.913 ( 0.000 0.000 -4.150) 4.150 33.948 ( 0.000 0.000 3.276) 3.276 34.668 ( 0.000 0.000 -7.000) 7.000 44.376 ( 0.000 0.000 5.708) 5.708 44.376 ( 0.000 0.000 5.708) 5.708 45.521 ( 0.000 0.000 19.794) 19.794 47.641 ( 0.000 0.000 -10.917) 10.917 47.908 ( 0.000 0.000 -2.815) 2.815 47.908 ( 0.000 0.000 -2.815) 2.815 48.245 ( 0.000 0.000 7.324) 7.324 50.826 ( 0.000 0.000 -1.243) 1.243 97.479 ( 0.000 0.000 -0.534) 0.534 97.479 ( 0.000 0.000 -0.534) 0.534 98.175 ( 0.000 0.000 -4.156) 4.156 99.781 ( 0.000 0.000 20.982) 20.982 101.609 ( 0.000 0.000 -0.310) 0.310 101.609 ( 0.000 0.000 -0.310) 0.310 101.668 ( 0.000 0.000 -0.248) 0.248 103.991 ( 0.000 0.000 -13.213) 13.213======================= Grid point 244 (47/90) =======================q-point: ( 0.11 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 2.053 0.000 -7.095) 7.387 1.772 ( 6.847 0.000 21.972) 23.014 1.844 ( 13.708 0.000 21.741) 25.702 2.846 ( -3.607 0.000 6.284) 7.246 3.123 ( -0.522 0.000 -7.390) 7.408 3.154 ( 2.325 0.000 -6.489) 6.893 3.868 ( -2.227 0.000 53.543) 53.589 4.841 ( -2.302 0.000 -12.440) 12.652 4.927 ( 5.930 0.000 -9.552) 11.244 5.412 ( -20.974 0.000 15.262) 25.939 5.819 ( 0.425 0.000 -10.298) 10.306 6.301 ( 14.934 0.000 11.844) 19.060 13.748 ( 11.403 0.000 7.700) 13.760 16.401 ( -2.999 0.000 -11.362) 11.751 16.590 ( -0.377 0.000 -4.484) 4.500 16.629 ( 3.416 0.000 -1.817) 3.869 17.052 ( -3.951 0.000 -1.806) 4.344 17.233 ( -6.652 0.000 -2.024) 6.953 17.497 ( 7.761 0.000 -9.699) 12.422 17.611 ( 17.225 0.000 -6.005) 18.241 21.060 ( -9.641 0.000 18.090) 20.498 21.845 ( -17.419 0.000 10.166) 20.168 22.797 ( 1.684 0.000 0.298) 1.710 22.824 ( 3.737 0.000 0.018) 3.738 24.052 ( 4.172 0.000 -1.605) 4.470 24.096 ( 7.683 0.000 -0.851) 7.730 30.506 ( 0.754 0.000 -1.973) 2.112 30.610 ( -0.493 0.000 0.175) 0.523 31.911 ( -0.139 0.000 -3.981) 3.983 31.913 ( 0.013 0.000 -4.131) 4.132 33.960 ( 1.244 0.000 3.293) 3.520 34.639 ( -2.778 0.000 -6.616) 7.176 44.384 ( 0.783 0.000 5.788) 5.841 44.390 ( 1.322 0.000 5.699) 5.851 45.575 ( 5.315 0.000 19.602) 20.310 47.491 ( -11.307 0.000 -3.389) 11.804 47.923 ( 1.336 0.000 -3.394) 3.647 47.990 ( 4.371 0.000 -3.959) 5.897 48.298 ( 5.527 0.000 3.151) 6.362 50.642 ( -16.999 0.000 1.555) 17.070 97.504 ( 2.386 0.000 -0.839) 2.530 97.551 ( 6.581 0.000 -1.893) 6.848 98.174 ( 0.029 0.000 -3.780) 3.780 99.698 ( -7.862 0.000 19.856) 21.356 101.611 ( 0.136 0.000 -0.311) 0.340 101.632 ( 0.737 0.000 -0.641) 0.977 101.734 ( 7.624 0.000 0.041) 7.624 103.860 ( -12.151 0.000 -9.650) 15.517======================= Grid point 245 (48/90) =======================q-point: ( 0.22 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 7.476 0.000 -6.609) 9.978 1.932 ( 8.659 0.000 19.648) 21.471 2.169 ( 16.539 0.000 16.557) 23.402 2.752 ( -5.323 0.000 5.068) 7.350 3.107 ( -1.000 0.000 -3.923) 4.049 3.210 ( 2.940 0.000 -2.435) 3.818 3.842 ( 0.385 0.000 40.674) 40.676 4.719 ( -10.588 0.000 0.482) 10.599 5.043 ( 3.263 0.000 -5.809) 6.663 5.128 ( -4.714 0.000 3.367) 5.793 5.847 ( 2.821 0.000 -5.783) 6.435 6.489 ( 3.781 0.000 6.966) 7.926 14.078 ( 20.828 0.000 6.632) 21.858 16.321 ( -5.597 0.000 -6.414) 8.513 16.558 ( -2.723 0.000 -9.692) 10.067 16.698 ( 2.542 0.000 -5.381) 5.952 16.967 ( -4.778 0.000 5.907) 7.597 17.112 ( -4.139 0.000 5.381) 6.789 17.691 ( 11.487 0.000 -14.226) 18.284 17.989 ( 18.456 0.000 -15.979) 24.412 20.814 ( -13.638 0.000 15.730) 20.819 21.419 ( -23.170 0.000 6.860) 24.164 22.835 ( 1.968 0.000 0.492) 2.029 22.897 ( 3.050 0.000 0.134) 3.053 24.165 ( 6.607 0.000 0.341) 6.616 24.269 ( 8.402 0.000 1.782) 8.589 30.526 ( 1.187 0.000 -1.746) 2.111 30.599 ( -0.513 0.000 -0.067) 0.517 31.907 ( -0.244 0.000 -3.571) 3.580 31.912 ( -0.133 0.000 -3.961) 3.963 34.002 ( 2.962 0.000 2.854) 4.113 34.561 ( -4.830 0.000 -5.678) 7.454 44.406 ( 1.327 0.000 5.995) 6.140 44.423 ( 1.776 0.000 5.761) 6.029 45.732 ( 10.220 0.000 19.204) 21.754 47.242 ( -13.155 0.000 5.423) 14.229 47.954 ( 1.579 0.000 -4.644) 4.905 48.042 ( 1.347 0.000 -1.929) 2.352 48.459 ( 9.908 0.000 -2.634) 10.252 50.213 ( -23.732 0.000 4.666) 24.187 97.569 ( 3.898 0.000 -1.725) 4.262 97.706 ( 7.562 0.000 -3.989) 8.550 98.193 ( 2.615 0.000 -2.259) 3.456 99.484 ( -12.802 0.000 17.021) 21.298 101.615 ( 0.253 0.000 -0.318) 0.406 101.638 ( 0.037 0.000 -0.612) 0.613 101.950 ( 12.836 0.000 0.043) 12.836 103.550 ( -17.308 0.000 -3.602) 17.679======================= Grid point 246 (49/90) =======================q-point: ( 0.33 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( 9.836 0.000 -5.750) 11.394 2.101 ( 6.947 0.000 14.373) 15.964 2.425 ( 6.935 0.000 11.568) 13.488 2.665 ( -2.149 0.000 5.013) 5.455 3.102 ( 1.400 0.000 2.211) 2.617 3.259 ( 1.528 0.000 2.077) 2.578 3.895 ( 4.822 0.000 30.181) 30.564 4.468 ( -12.743 0.000 13.742) 18.741 5.050 ( 0.699 0.000 -10.359) 10.383 5.143 ( 0.925 0.000 -9.702) 9.746 5.948 ( 7.204 0.000 0.884) 7.258 6.473 ( -4.746 0.000 6.229) 7.832 14.565 ( 26.832 0.000 4.953) 27.286 16.116 ( -16.030 0.000 -2.352) 16.202 16.513 ( -0.754 0.000 -10.945) 10.971 16.691 ( -3.384 0.000 -8.466) 9.117 16.916 ( 0.922 0.000 9.919) 9.962 17.063 ( -1.618 0.000 7.261) 7.439 17.951 ( 13.874 0.000 -14.296) 19.922 18.294 ( 10.530 0.000 -18.294) 21.108 20.560 ( -10.187 0.000 11.910) 15.673 20.962 ( -21.075 0.000 4.218) 21.493 22.875 ( 2.007 0.000 0.503) 2.069 22.939 ( 1.039 0.000 0.362) 1.101 24.302 ( 6.505 0.000 2.464) 6.956 24.406 ( 4.770 0.000 3.667) 6.017 30.551 ( 1.168 0.000 -1.475) 1.882 30.591 ( -0.343 0.000 -0.480) 0.590 31.902 ( -0.218 0.000 -3.164) 3.171 31.908 ( -0.283 0.000 -3.580) 3.591 34.080 ( 4.786 0.000 1.495) 5.014 34.449 ( -6.083 0.000 -4.339) 7.472 44.434 ( 1.416 0.000 6.204) 6.364 44.455 ( 1.200 0.000 5.949) 6.069 45.981 ( 14.224 0.000 18.840) 23.607 46.958 ( -15.066 0.000 12.413) 19.521 47.985 ( 1.564 0.000 -5.540) 5.756 48.058 ( 0.196 0.000 -3.222) 3.228 48.685 ( 12.453 0.000 -3.227) 12.864 49.737 ( -22.717 0.000 3.892) 23.048 97.653 ( 4.274 0.000 -2.957) 5.197 97.808 ( 1.935 0.000 -5.176) 5.526 98.314 ( 9.781 0.000 0.970) 9.829 99.198 ( -15.276 0.000 13.268) 20.234 101.621 ( 0.323 0.000 -0.335) 0.465 101.637 ( -0.128 0.000 -0.525) 0.540 102.230 ( 14.627 0.000 0.324) 14.630 103.195 ( -17.472 0.000 -0.019) 17.472======================= Grid point 247 (50/90) =======================q-point: ( 0.44 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( 9.583 0.000 -2.542) 9.914 2.134 ( -4.477 0.000 3.349) 5.591 2.517 ( 5.379 0.000 10.365) 11.678 2.625 ( -3.859 0.000 7.030) 8.020 3.177 ( 5.047 0.000 6.726) 8.410 3.256 ( -2.127 0.000 5.674) 6.059 4.031 ( 8.450 0.000 23.482) 24.956 4.228 ( -10.919 0.000 18.950) 21.871 5.083 ( 2.235 0.000 -14.399) 14.571 5.129 ( -1.966 0.000 -13.776) 13.916 6.126 ( 9.924 0.000 5.195) 11.202 6.325 ( -9.226 0.000 6.324) 11.186 15.132 ( 28.592 0.000 2.800) 28.729 15.686 ( -25.430 0.000 0.327) 25.432 16.535 ( 2.635 0.000 -8.901) 9.283 16.607 ( -4.194 0.000 -7.785) 8.843 16.967 ( 3.153 0.000 7.957) 8.559 17.025 ( -2.375 0.000 7.485) 7.853 18.222 ( 11.902 0.000 -14.035) 18.402 18.379 ( -2.400 0.000 -15.874) 16.054 20.457 ( 0.991 0.000 6.910) 6.981 20.607 ( -13.319 0.000 3.820) 13.856 22.914 ( 1.749 0.000 0.515) 1.824 22.940 ( -0.760 0.000 0.493) 0.906 24.412 ( 4.062 0.000 3.958) 5.671 24.454 ( 0.035 0.000 4.406) 4.406 30.571 ( 0.820 0.000 -1.204) 1.457 30.584 ( -0.441 0.000 -0.887) 0.991 31.900 ( -0.013 0.000 -3.001) 3.001 31.902 ( -0.226 0.000 -3.178) 3.186 34.191 ( 6.092 0.000 -0.497) 6.112 34.320 ( -6.536 0.000 -2.571) 7.024 44.459 ( 0.918 0.000 6.274) 6.341 44.468 ( 0.088 0.000 6.164) 6.165 46.295 ( 16.590 0.000 18.286) 24.690 46.635 ( -16.734 0.000 16.572) 23.551 48.019 ( 1.725 0.000 -5.751) 6.004 48.049 ( -1.083 0.000 -4.982) 5.099 48.965 ( 15.460 0.000 -1.485) 15.531 49.313 ( -19.116 0.000 1.143) 19.151 97.736 ( 3.755 0.000 -4.142) 5.591 97.798 ( -2.211 0.000 -5.002) 5.469 98.568 ( 14.588 0.000 4.888) 15.386 98.880 ( -15.937 0.000 9.098) 18.351 101.627 ( 0.320 0.000 -0.374) 0.492 101.633 ( -0.246 0.000 -0.439) 0.503 102.533 ( 15.429 0.000 0.822) 15.451 102.853 ( -16.350 0.000 1.021) 16.381======================= Grid point 253 (51/90) =======================q-point: ( 0.11 0.11 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -0.098 -0.098 -1.036) 1.045 1.764 ( 2.798 2.798 15.534) 16.030 2.047 ( 14.170 14.170 20.369) 28.574 2.812 ( -3.248 -3.248 5.676) 7.302 3.125 ( -0.582 -0.582 -3.845) 3.932 3.161 ( 1.338 1.338 -7.602) 7.834 3.850 ( -1.223 -1.223 47.610) 47.642 4.834 ( -1.272 -1.272 -13.183) 13.305 4.981 ( 4.814 4.814 -5.776) 8.928 5.231 ( -13.083 -13.083 17.430) 25.419 5.860 ( 1.892 1.892 -11.661) 11.964 6.370 ( 5.128 5.128 10.923) 13.111 13.855 ( 10.434 10.434 7.271) 16.450 16.401 ( -0.575 -0.575 -11.795) 11.823 16.523 ( -3.622 -3.622 -2.182) 5.567 16.688 ( 2.769 2.769 -5.391) 6.664 17.040 ( -0.873 -0.873 2.306) 2.616 17.186 ( -4.318 -4.318 1.032) 6.194 17.585 ( 6.604 6.604 -12.244) 15.399 17.728 ( 12.308 12.308 -10.963) 20.571 20.967 ( -8.655 -8.655 17.164) 21.081 21.704 ( -13.442 -13.442 9.749) 21.364 22.776 ( -0.095 -0.095 -0.121) 0.181 22.875 ( 2.900 2.900 0.269) 4.111 24.056 ( 2.119 2.119 -2.051) 3.632 24.194 ( 7.180 7.180 1.147) 10.218 30.513 ( 0.681 0.681 -1.912) 2.141 30.606 ( -0.364 -0.364 0.087) 0.522 31.905 ( -0.304 -0.304 -3.814) 3.838 31.920 ( 0.328 0.328 -4.144) 4.170 33.972 ( 1.173 1.173 3.247) 3.646 34.612 ( -2.594 -2.594 -6.278) 7.271 44.393 ( 0.873 0.873 5.868) 5.996 44.404 ( 1.294 1.294 5.648) 5.937 45.626 ( 5.082 5.082 19.507) 20.789 47.389 ( -8.755 -8.755 0.282) 12.385 47.954 ( 2.177 2.177 -2.797) 4.160 48.010 ( 1.665 1.665 -3.753) 4.430 48.348 ( 4.940 4.940 0.089) 6.987 50.486 ( -14.527 -14.527 3.235) 20.798 97.484 ( 0.236 0.236 -0.540) 0.634 97.646 ( 6.698 6.698 -3.382) 10.058 98.178 ( 0.610 0.610 -3.349) 3.458 99.626 ( -6.871 -6.871 18.813) 21.174 101.613 ( 0.156 0.156 -0.315) 0.385 101.636 ( 0.216 0.216 -0.652) 0.719 101.806 ( 6.991 6.991 0.032) 9.886 103.745 ( -10.669 -10.669 -7.019) 16.641======================= Grid point 254 (52/90) =======================q-point: ( 0.22 0.11 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 7.101 -4.202 0.358) 8.259 1.863 ( 6.464 -2.136 13.149) 14.807 2.336 ( 12.954 11.406 15.997) 23.533 2.724 ( -5.038 -2.720 4.800) 7.471 3.099 ( -1.494 -0.986 -0.076) 1.792 3.205 ( 2.548 -0.112 -4.917) 5.539 3.846 ( 1.406 0.632 36.475) 36.508 4.735 ( -9.604 1.533 -1.892) 9.908 5.020 ( -3.007 -5.900 8.955) 11.138 5.107 ( 3.894 2.016 -5.062) 6.697 5.887 ( 1.607 3.077 -8.743) 9.407 6.440 ( 0.978 -4.408 8.464) 9.593 14.157 ( 19.140 7.777 6.035) 21.524 16.333 ( -7.243 0.702 -5.978) 9.418 16.480 ( -0.397 -5.900 -8.867) 10.658 16.720 ( 0.367 0.978 -7.300) 7.375 17.004 ( -3.588 2.926 7.099) 8.476 17.095 ( -2.885 -1.810 6.441) 7.286 17.758 ( 10.830 6.316 -14.470) 19.146 18.040 ( 16.436 5.411 -17.359) 24.510 20.747 ( -12.170 -6.259 14.957) 20.273 21.346 ( -20.736 -7.439 7.987) 23.433 22.797 ( 1.849 -2.385 0.054) 3.019 22.923 ( 1.705 1.419 0.280) 2.236 24.138 ( 5.643 -0.859 -0.686) 5.749 24.340 ( 6.553 4.989 3.212) 8.840 30.531 ( 1.079 0.500 -1.763) 2.126 30.598 ( -0.377 -0.108 -0.207) 0.444 31.900 ( -0.167 -0.270 -3.450) 3.465 31.924 ( 0.052 0.712 -4.045) 4.108 34.010 ( 2.751 0.879 2.758) 3.993 34.538 ( -4.576 -2.167 -5.397) 7.400 44.417 ( 1.407 1.048 6.022) 6.272 44.437 ( 1.778 1.265 5.653) 6.059 45.776 ( 9.665 4.293 19.316) 22.021 47.177 ( -11.841 -5.980 7.109) 15.050 47.991 ( 1.412 3.269 -3.964) 5.328 48.045 ( 1.731 0.322 -2.428) 2.999 48.488 ( 8.708 2.843 -3.575) 9.833 50.113 ( -20.948 -9.450 4.848) 23.486 97.521 ( 3.107 -2.695 -0.959) 4.223 97.772 ( 4.686 3.915 -5.044) 7.921 98.219 ( 4.264 2.928 -1.885) 5.506 99.437 ( -11.467 -4.617 16.090) 20.291 101.617 ( 0.224 0.157 -0.320) 0.421 101.639 ( 0.016 0.056 -0.595) 0.598 101.998 ( 11.476 4.680 0.074) 12.394 103.470 ( -15.613 -7.613 -2.418) 17.538======================= Grid point 255 (53/90) =======================q-point: ( 0.33 0.11 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 10.841 -4.371 -1.876) 11.839 2.008 ( 7.258 -5.696 12.267) 15.349 2.486 ( 0.248 3.319 8.797) 9.406 2.649 ( -1.544 -1.729 5.675) 6.131 3.095 ( 1.942 -0.577 5.365) 5.735 3.248 ( 1.397 -0.657 -0.696) 1.693 3.917 ( 5.643 2.237 27.167) 27.837 4.501 ( -12.130 3.131 11.899) 17.278 5.015 ( 1.686 -3.707 -5.863) 7.138 5.161 ( 0.459 1.662 -6.888) 7.100 5.954 ( 5.346 0.563 -2.109) 5.775 6.401 ( -4.676 -6.658 6.891) 10.662 14.607 ( 24.860 4.116 4.144) 25.537 16.089 ( -17.108 -3.038 -3.007) 17.634 16.494 ( 1.631 -1.081 -10.613) 10.792 16.693 ( -3.123 0.191 -7.899) 8.496 16.944 ( -0.603 2.017 9.820) 10.043 17.065 ( -1.266 0.077 7.594) 7.700 18.011 ( 13.669 5.865 -14.054) 20.464 18.324 ( 10.382 3.102 -18.274) 21.245 20.520 ( -9.136 -3.776 11.731) 15.341 20.920 ( -20.271 -4.245 5.816) 21.512 22.841 ( 2.382 -2.829 0.311) 3.712 22.941 ( 0.058 -0.196 0.394) 0.444 24.266 ( 6.512 -2.391 1.543) 7.106 24.438 ( 2.864 1.995 4.331) 5.562 30.554 ( 1.080 0.304 -1.580) 1.938 30.592 ( -0.278 0.077 -0.640) 0.702 31.899 ( 0.073 0.041 -3.141) 3.142 31.921 ( -0.316 0.933 -3.734) 3.861 34.083 ( 4.460 0.322 1.476) 4.709 34.432 ( -5.802 -1.647 -4.085) 7.285 44.447 ( 1.467 1.182 6.155) 6.437 44.468 ( 1.205 1.274 5.805) 6.065 46.010 ( 13.305 2.818 19.107) 23.453 46.917 ( -13.951 -3.892 13.193) 19.591 48.016 ( 1.329 2.871 -5.166) 6.058 48.072 ( 0.746 1.550 -3.527) 3.924 48.694 ( 11.662 0.897 -3.590) 12.236 49.685 ( -20.779 -4.979 3.607) 21.669 97.599 ( 4.390 -4.091 -1.952) 6.310 97.812 ( -0.543 -0.566 -5.211) 5.269 98.367 ( 10.132 4.909 0.570) 11.273 99.178 ( -13.816 -1.925 12.375) 18.648 101.622 ( 0.290 0.102 -0.333) 0.453 101.637 ( -0.130 0.046 -0.510) 0.528 102.252 ( 13.374 2.143 0.408) 13.550 103.145 ( -16.108 -4.733 0.395) 16.793======================= Grid point 256 (54/90) =======================q-point: ( 0.44 0.11 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 9.655 -2.747 -1.250) 10.116 2.086 ( -1.757 -4.237 4.791) 6.633 2.476 ( 2.777 -3.675 8.203) 9.408 2.585 ( -5.608 -4.315 7.202) 10.097 3.175 ( 4.796 0.080 6.928) 8.426 3.247 ( -1.837 -0.550 3.662) 4.134 4.067 ( 8.910 3.304 21.234) 23.263 4.268 ( -10.881 3.655 17.143) 20.631 5.066 ( 3.146 -1.765 -10.255) 10.871 5.131 ( -2.866 0.066 -9.843) 10.252 6.097 ( 8.325 -2.630 3.239) 9.312 6.268 ( -8.045 -5.312 5.668) 11.184 15.135 ( 26.846 0.380 1.818) 26.910 15.661 ( -24.477 -2.453 -0.700) 24.609 16.543 ( 3.117 0.847 -8.859) 9.430 16.616 ( -3.992 0.896 -7.614) 8.644 16.973 ( 2.622 0.295 8.480) 8.881 17.028 ( -2.448 0.086 7.762) 8.140 18.276 ( 11.386 5.250 -13.625) 18.516 18.418 ( -1.559 3.820 -15.544) 16.082 20.427 ( 1.014 -2.772 7.657) 8.206 20.573 ( -13.026 -3.156 5.177) 14.368 22.888 ( 2.234 -2.354 0.448) 3.276 22.926 ( -1.409 -1.468 0.475) 2.090 24.385 ( 4.916 -2.239 3.429) 6.398 24.451 ( -1.473 -0.630 4.408) 4.690 30.573 ( 0.785 0.185 -1.360) 1.581 30.585 ( -0.425 0.143 -1.053) 1.145 31.904 ( 0.359 0.495 -3.090) 3.150 31.913 ( -0.491 0.855 -3.338) 3.480 34.187 ( 5.739 -0.373 -0.385) 5.764 34.310 ( -6.216 -1.051 -2.361) 6.732 44.472 ( 0.940 1.255 6.164) 6.360 44.482 ( 0.083 1.280 6.021) 6.156 46.303 ( 15.403 0.723 18.599) 24.160 46.618 ( -15.502 -1.658 16.969) 23.043 48.046 ( 1.531 2.620 -5.621) 6.388 48.071 ( -0.791 2.277 -5.040) 5.586 48.960 ( 14.795 -0.484 -1.704) 14.901 49.292 ( -18.036 -2.131 0.900) 18.184 97.689 ( 4.380 -4.038 -3.185) 6.755 97.769 ( -3.328 -2.945 -4.358) 6.224 98.608 ( 13.339 3.631 4.046) 14.404 98.891 ( -14.401 0.945 8.196) 16.597 101.628 ( 0.304 0.056 -0.366) 0.479 101.634 ( -0.245 0.043 -0.427) 0.494 102.531 ( 14.299 -0.164 0.929) 14.330 102.829 ( -15.205 -2.353 1.185) 15.432======================= Grid point 263 (55/90) =======================q-point: ( 0.22 0.22 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 1.112 1.112 8.300) 8.447 1.874 ( 2.576 2.576 6.414) 7.377 2.532 ( 6.315 6.315 11.767) 14.772 2.644 ( -5.001 -5.001 4.211) 8.231 3.070 ( -0.999 -0.999 7.240) 7.377 3.219 ( 1.420 1.420 -7.891) 8.143 3.883 ( 3.349 3.349 28.347) 28.740 4.751 ( -2.858 -2.858 -13.107) 13.716 4.876 ( -4.213 -4.213 24.559) 25.272 5.173 ( 2.952 2.952 -3.289) 5.315 5.937 ( 1.526 1.526 -11.628) 11.826 6.337 ( -5.238 -5.238 10.106) 12.530 14.385 ( 14.506 14.506 4.389) 20.979 16.252 ( -10.089 -10.089 -4.771) 15.045 16.432 ( 2.155 2.155 -10.140) 10.589 16.724 ( -0.570 -0.570 -7.618) 7.661 17.026 ( -3.231 -3.231 9.187) 10.260 17.062 ( 0.793 0.793 7.635) 7.717 17.932 ( 10.752 10.752 -14.235) 20.829 18.210 ( 10.750 10.750 -18.747) 24.136 20.587 ( -8.870 -8.870 13.277) 18.265 21.120 ( -14.525 -14.525 9.362) 22.574 22.766 ( -0.408 -0.408 -0.274) 0.638 22.938 ( 0.004 0.004 0.346) 0.346 24.155 ( 2.536 2.536 -0.640) 3.643 24.428 ( 3.268 3.268 4.423) 6.397 30.545 ( 0.808 0.808 -1.808) 2.139 30.596 ( -0.105 -0.105 -0.579) 0.597 31.899 ( 0.139 0.139 -3.221) 3.227 31.936 ( 0.458 0.458 -4.163) 4.213 34.040 ( 2.067 2.067 2.322) 3.734 34.476 ( -3.914 -3.914 -4.597) 7.195 44.445 ( 1.616 1.616 6.050) 6.468 44.469 ( 1.787 1.787 5.497) 6.050 45.901 ( 7.948 7.948 19.563) 22.562 47.019 ( -9.304 -9.304 11.051) 17.183 48.054 ( 1.306 1.306 -3.988) 4.395 48.070 ( 3.349 3.349 -2.806) 5.505 48.574 ( 5.722 5.722 -4.842) 9.430 49.861 ( -14.750 -14.750 4.430) 21.325 97.494 ( 0.199 0.199 -0.543) 0.612 97.811 ( -0.298 -0.298 -5.263) 5.280 98.322 ( 7.149 7.149 -1.287) 10.192 99.306 ( -8.076 -8.076 13.575) 17.741 101.620 ( 0.178 0.178 -0.322) 0.409 101.639 ( -0.005 -0.005 -0.543) 0.543 102.130 ( 8.102 8.102 0.252) 11.461 103.268 ( -11.770 -11.770 -0.215) 16.647======================= Grid point 264 (56/90) =======================q-point: ( 0.33 0.22 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 9.943 -5.888 8.712) 14.471 1.949 ( 4.380 -0.361 4.806) 6.513 2.497 ( -7.096 -2.456 4.730) 8.875 2.575 ( -4.100 -6.319 6.181) 9.744 3.100 ( 3.951 1.712 9.882) 10.779 3.248 ( 1.069 0.692 -6.364) 6.490 3.987 ( 6.873 4.662 21.413) 22.968 4.581 ( -10.816 4.234 4.199) 12.351 4.906 ( 4.179 -6.552 8.528) 11.538 5.192 ( -1.499 0.693 -0.288) 1.677 5.965 ( 2.066 0.413 -8.210) 8.476 6.238 ( -4.742 -8.423 7.332) 12.133 14.730 ( 19.409 8.077 2.071) 21.125 15.977 ( -16.772 -8.161 -4.590) 19.208 16.498 ( 3.768 1.723 -9.679) 10.529 16.697 ( -2.106 0.218 -7.436) 7.732 16.962 ( -1.849 -0.693 10.501) 10.685 17.061 ( -1.232 -0.569 7.580) 7.701 18.180 ( 13.187 10.536 -12.849) 21.213 18.424 ( 9.109 6.716 -17.298) 20.671 20.421 ( -6.710 -5.611 11.306) 14.295 20.792 ( -16.922 -8.350 9.176) 20.983 22.780 ( 1.703 -2.725 -0.090) 3.215 22.922 ( -1.492 -1.653 0.409) 2.264 24.233 ( 4.826 -0.579 0.772) 4.922 24.461 ( -0.145 0.045 4.636) 4.639 30.562 ( 0.855 0.508 -1.834) 2.086 30.594 ( -0.143 0.095 -1.052) 1.066 31.906 ( 0.534 0.600 -3.163) 3.264 31.940 ( -0.089 0.882 -4.060) 4.155 34.095 ( 3.473 0.926 1.349) 3.840 34.385 ( -4.994 -2.979 -3.353) 6.712 44.478 ( 1.609 1.819 6.012) 6.484 44.501 ( 1.247 1.852 5.509) 5.944 46.091 ( 10.657 5.053 19.674) 22.939 46.811 ( -11.218 -6.348 15.095) 19.849 48.081 ( 1.615 3.112 -5.075) 6.169 48.127 ( 1.817 3.831 -3.406) 5.439 48.724 ( 9.281 2.291 -4.354) 10.504 49.545 ( -16.036 -8.581 2.657) 18.380 97.526 ( 2.778 -2.690 -0.873) 3.964 97.770 ( -3.377 -3.441 -4.186) 6.386 98.493 ( 9.490 7.145 0.042) 11.879 99.121 ( -10.034 -3.721 10.082) 14.703 101.624 ( 0.215 0.095 -0.326) 0.402 101.638 ( -0.138 -0.015 -0.467) 0.487 102.315 ( 10.048 4.070 0.670) 10.862 103.017 ( -12.681 -7.598 1.215) 14.833======================= Grid point 265 (57/90) =======================q-point: ( 0.44 0.22 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 11.842 -6.767 5.496) 14.705 2.005 ( -1.203 -2.980 4.129) 5.232 2.376 ( -2.394 -6.443 5.613) 8.874 2.445 ( -7.157 -9.187 7.202) 13.692 3.191 ( 4.176 1.678 4.605) 6.439 3.248 ( -1.314 0.807 -1.820) 2.385 4.154 ( 9.459 5.125 16.355) 19.576 4.360 ( -10.792 5.116 11.664) 16.694 5.006 ( 5.511 -4.240 2.993) 7.570 5.118 ( -5.186 -1.744 1.269) 5.616 6.035 ( 4.640 -3.123 -2.356) 6.069 6.138 ( -5.215 -6.723 2.602) 8.897 15.151 ( 21.844 1.320 -0.472) 21.889 15.590 ( -21.072 -4.448 -2.861) 21.726 16.573 ( 3.566 2.172 -8.584) 9.545 16.642 ( -3.216 1.634 -7.456) 8.283 16.965 ( 1.877 -1.296 9.317) 9.593 17.018 ( -2.804 -1.286 7.912) 8.492 18.424 ( 9.782 9.072 -12.187) 18.070 18.528 ( 0.211 6.773 -14.162) 15.700 20.356 ( 1.235 -4.014 9.365) 10.264 20.489 ( -11.751 -4.875 8.547) 15.326 22.827 ( 2.678 -3.508 0.227) 4.419 22.881 ( -2.519 -2.964 0.397) 3.910 24.336 ( 5.083 -2.270 2.550) 6.123 24.424 ( -3.325 -2.013 3.955) 5.545 30.578 ( 0.675 0.297 -1.745) 1.894 30.589 ( -0.372 0.190 -1.476) 1.534 31.919 ( 0.741 0.995 -3.364) 3.585 31.933 ( -0.586 1.108 -3.734) 3.938 34.178 ( 4.680 -0.457 -0.108) 4.703 34.280 ( -5.257 -1.812 -1.780) 5.839 44.506 ( 0.998 1.929 5.880) 6.268 44.515 ( 0.096 1.927 5.679) 5.998 46.323 ( 12.169 1.271 19.270) 22.826 46.572 ( -12.293 -2.754 17.887) 21.878 48.116 ( 1.664 4.037 -5.390) 6.937 48.140 ( -0.477 4.324 -4.668) 6.381 48.947 ( 12.692 -0.723 -2.354) 12.928 49.229 ( -15.044 -3.985 0.154) 15.564 97.598 ( 4.221 -4.431 -1.713) 6.355 97.688 ( -4.467 -4.687 -2.880) 7.086 98.696 ( 10.434 4.629 2.700) 11.730 98.910 ( -10.691 0.748 6.253) 12.408 101.629 ( 0.261 0.014 -0.347) 0.434 101.634 ( -0.242 -0.019 -0.394) 0.463 102.530 ( 11.203 0.116 1.208) 11.269 102.765 ( -12.123 -3.693 1.544) 12.767======================= Grid point 273 (58/90) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 2.835 2.835 12.987) 13.592 1.974 ( 2.347 2.347 2.088) 3.921 2.380 ( -11.521 -11.521 7.772) 18.053 2.409 ( -6.621 -6.621 3.610) 10.035 3.163 ( 3.976 3.976 6.091) 8.290 3.268 ( 0.903 0.903 -9.194) 9.282 4.105 ( 7.099 7.099 15.934) 18.834 4.616 ( -3.499 -3.499 -12.723) 13.651 4.812 ( 0.201 0.201 32.444) 32.445 5.164 ( -3.762 -3.762 9.170) 10.601 5.969 ( 0.116 0.116 -11.439) 11.440 6.098 ( -5.032 -5.032 3.734) 8.037 14.930 ( 11.640 11.640 -0.491) 16.469 15.766 ( -12.508 -12.508 -5.331) 18.475 16.556 ( 3.587 3.587 -8.947) 10.285 16.699 ( -0.211 -0.211 -7.839) 7.845 16.930 ( -1.732 -1.732 11.347) 11.609 17.033 ( -2.340 -2.340 7.108) 7.841 18.414 ( 11.829 11.829 -10.948) 19.993 18.572 ( 7.099 7.099 -14.733) 17.829 20.315 ( -4.175 -4.175 10.989) 12.475 20.593 ( -10.804 -10.804 11.612) 19.191 22.745 ( -0.577 -0.577 -0.289) 0.866 22.876 ( -2.885 -2.885 0.376) 4.097 24.246 ( 1.844 1.844 0.965) 2.781 24.438 ( -2.271 -2.271 4.142) 5.241 30.573 ( 0.572 0.572 -2.083) 2.235 30.595 ( -0.021 -0.021 -1.554) 1.554 31.922 ( 0.934 0.934 -3.401) 3.648 31.954 ( 0.359 0.359 -4.242) 4.272 34.123 ( 1.887 1.887 0.949) 2.833 34.316 ( -3.714 -3.714 -2.251) 5.714 44.516 ( 1.750 1.750 5.788) 6.295 44.536 ( 1.394 1.394 5.314) 5.668 46.209 ( 6.613 6.613 20.030) 22.106 46.669 ( -7.558 -7.558 17.197) 20.249 48.143 ( 3.109 3.109 -5.386) 6.953 48.203 ( 2.964 2.964 -2.923) 5.111 48.797 ( 5.158 5.158 -4.539) 8.591 49.351 ( -10.441 -10.441 1.015) 14.800 97.498 ( 0.014 0.014 -0.527) 0.528 97.685 ( -4.634 -4.634 -2.750) 7.107 98.641 ( 7.290 7.290 0.483) 10.321 99.031 ( -5.177 -5.177 7.183) 10.256 101.626 ( 0.099 0.099 -0.319) 0.348 101.636 ( -0.146 -0.146 -0.406) 0.456 102.413 ( 5.621 5.621 1.089) 8.024 102.853 ( -8.354 -8.354 1.778) 11.948======================= Grid point 274 (59/90) =======================q-point: ( 0.44 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 11.703 -3.948 11.455) 16.845 1.969 ( -7.547 -0.933 5.057) 9.133 2.187 ( -1.885 -11.684 7.187) 13.846 2.271 ( -6.744 -7.366 4.123) 10.804 3.237 ( 2.891 2.455 -1.729) 4.168 3.272 ( -0.649 1.291 -7.592) 7.728 4.270 ( 9.064 6.380 9.896) 14.859 4.462 ( -9.538 4.536 0.705) 10.585 4.903 ( 6.762 -5.393 24.614) 26.090 5.048 ( -7.083 -5.202 17.711) 19.772 5.983 ( 1.450 -1.856 -8.777) 9.087 6.025 ( -2.658 -4.050 -3.393) 5.915 15.193 ( 14.153 2.905 -2.864) 14.729 15.488 ( -14.629 -5.551 -4.619) 16.314 16.628 ( 3.250 3.090 -8.289) 9.425 16.680 ( -1.818 2.073 -8.157) 8.610 16.922 ( 1.296 -2.722 10.208) 10.644 16.973 ( -3.254 -3.018 7.745) 8.927 18.616 ( 7.062 9.047 -10.210) 15.361 18.671 ( 1.658 6.718 -11.810) 13.688 20.282 ( 1.544 -2.875 11.285) 11.748 20.388 ( -8.581 -4.976 11.977) 15.552 22.759 ( 1.894 -2.823 -0.084) 3.401 22.813 ( -3.138 -3.565 0.216) 4.755 24.302 ( 3.462 -1.022 1.893) 4.076 24.376 ( -3.626 -2.601 3.099) 5.433 30.584 ( 0.479 0.306 -2.157) 2.231 30.592 ( -0.257 0.109 -1.968) 1.988 31.941 ( 0.862 1.059 -3.790) 4.029 31.954 ( -0.354 0.826 -4.137) 4.234 34.172 ( 2.954 -0.060 0.152) 2.959 34.240 ( -3.680 -2.022 -0.990) 4.314 44.544 ( 1.000 1.767 5.534) 5.895 44.553 ( 0.221 1.616 5.339) 5.583 46.354 ( 7.595 1.764 19.786) 21.267 46.512 ( -7.940 -3.152 18.833) 20.680 48.201 ( 2.454 4.247 -4.839) 6.890 48.231 ( -0.199 4.242 -3.654) 5.602 48.937 ( 8.696 0.000 -3.243) 9.282 49.136 ( -10.575 -5.112 -1.096) 11.797 97.525 ( 2.506 -2.641 -0.794) 3.726 97.594 ( -4.179 -4.337 -1.556) 6.221 98.784 ( 6.826 3.946 2.012) 8.138 98.915 ( -6.171 -0.310 4.351) 7.557 101.628 ( 0.172 -0.036 -0.323) 0.368 101.632 ( -0.216 -0.124 -0.352) 0.432 102.540 ( 6.852 0.902 1.548) 7.082 102.688 ( -7.849 -3.777 1.849) 8.904======================= Grid point 283 (60/90) =======================q-point: ( 0.44 0.44 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 4.247 4.247 13.795) 15.046 1.884 ( -9.233 -9.233 13.556) 18.822 2.051 ( 1.200 1.200 1.492) 2.260 2.135 ( -5.935 -5.935 2.755) 8.834 3.278 ( 1.413 1.413 -7.990) 8.236 3.290 ( 0.227 0.227 -10.268) 10.273 4.406 ( 6.693 6.693 -0.579) 9.484 4.504 ( -1.636 -1.636 -12.188) 12.406 4.839 ( 0.632 0.632 45.371) 45.380 4.924 ( -6.344 -6.344 34.838) 35.974 5.962 ( -0.223 -0.223 -11.290) 11.294 5.973 ( -1.370 -1.370 -9.078) 9.283 15.269 ( 4.582 4.582 -4.564) 7.925 15.373 ( -5.591 -5.591 -5.211) 9.470 16.688 ( 2.618 2.618 -8.963) 9.697 16.713 ( 0.583 0.583 -10.425) 10.457 16.878 ( -0.743 -0.743 11.675) 11.722 16.907 ( -3.038 -3.038 9.035) 10.005 18.756 ( 4.156 4.156 -9.105) 10.837 18.771 ( 2.556 2.556 -9.731) 10.381 20.255 ( 0.431 0.431 12.987) 13.001 20.298 ( -3.618 -3.618 13.551) 14.485 22.726 ( -0.288 -0.288 -0.221) 0.464 22.749 ( -2.431 -2.431 -0.054) 3.438 24.298 ( 0.681 0.681 1.768) 2.013 24.327 ( -2.069 -2.069 2.237) 3.683 30.590 ( 0.215 0.215 -2.388) 2.408 30.593 ( -0.054 -0.054 -2.320) 2.321 31.958 ( 0.624 0.624 -4.182) 4.274 31.964 ( 0.130 0.130 -4.326) 4.330 34.179 ( 0.748 0.748 0.149) 1.068 34.203 ( -1.592 -1.592 -0.260) 2.266 44.572 ( 0.829 0.829 5.261) 5.390 44.575 ( 0.509 0.509 5.179) 5.229 46.395 ( 2.371 2.371 19.867) 20.148 46.449 ( -2.946 -2.946 19.523) 19.963 48.274 ( 2.549 2.549 -3.753) 5.203 48.290 ( 1.178 1.178 -3.074) 3.497 48.959 ( 2.368 2.368 -3.582) 4.904 49.033 ( -4.719 -4.719 -2.620) 7.169 97.497 ( -0.036 -0.036 -0.506) 0.509 97.523 ( -2.519 -2.519 -0.762) 3.643 98.852 ( 2.798 2.798 2.133) 4.495 98.896 ( -1.576 -1.576 2.942) 3.690 101.628 ( 0.025 0.025 -0.311) 0.313 101.630 ( -0.127 -0.127 -0.320) 0.367 102.568 ( 1.960 1.960 1.829) 3.321 102.619 ( -3.028 -3.028 1.950) 4.706======================= Grid point 324 (61/90) =======================q-point: ( 0.00 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 0.000 0.000 -7.705) 7.705 2.142 ( 0.000 0.000 19.716) 19.716 2.142 ( 0.000 0.000 19.716) 19.716 2.964 ( 0.000 0.000 -7.391) 7.391 2.964 ( 0.000 0.000 -7.391) 7.391 3.002 ( 0.000 0.000 4.593) 4.593 4.577 ( 0.000 0.000 -14.602) 14.602 4.577 ( 0.000 0.000 -14.602) 14.602 4.962 ( 0.000 0.000 45.298) 45.298 5.625 ( 0.000 0.000 -7.357) 7.357 5.625 ( 0.000 0.000 -7.357) 7.357 6.630 ( 0.000 0.000 25.611) 25.611 13.785 ( 0.000 0.000 7.003) 7.003 16.098 ( 0.000 0.000 -17.411) 17.411 16.567 ( 0.000 0.000 -1.176) 1.176 16.567 ( 0.000 0.000 -1.176) 1.176 16.965 ( 0.000 0.000 -4.225) 4.225 16.969 ( 0.000 0.000 -15.235) 15.235 17.541 ( 0.000 0.000 6.684) 6.684 17.541 ( 0.000 0.000 6.684) 6.684 21.465 ( 0.000 0.000 11.459) 11.459 22.267 ( 0.000 0.000 10.123) 10.123 22.776 ( 0.000 0.000 -0.052) 0.052 22.776 ( 0.000 0.000 -0.052) 0.052 23.966 ( 0.000 0.000 -1.826) 1.826 23.966 ( 0.000 0.000 -1.826) 1.826 30.461 ( 0.000 0.000 -1.559) 1.559 30.620 ( 0.000 0.000 0.154) 0.154 31.838 ( 0.000 0.000 -3.241) 3.241 31.838 ( 0.000 0.000 -3.241) 3.241 34.033 ( 0.000 0.000 5.292) 5.292 34.514 ( 0.000 0.000 -8.281) 8.281 44.481 ( 0.000 0.000 4.587) 4.587 44.481 ( 0.000 0.000 4.587) 4.587 45.897 ( 0.000 0.000 17.530) 17.530 47.414 ( 0.000 0.000 -11.387) 11.387 47.855 ( 0.000 0.000 -2.331) 2.331 47.855 ( 0.000 0.000 -2.331) 2.331 48.381 ( 0.000 0.000 5.982) 5.982 50.801 ( 0.000 0.000 -1.171) 1.171 97.470 ( 0.000 0.000 -0.396) 0.396 97.470 ( 0.000 0.000 -0.396) 0.396 98.112 ( 0.000 0.000 -2.337) 2.337 100.166 ( 0.000 0.000 17.051) 17.051 101.603 ( 0.000 0.000 -0.276) 0.276 101.603 ( 0.000 0.000 -0.276) 0.276 101.664 ( 0.000 0.000 -0.139) 0.139 103.734 ( 0.000 0.000 -11.967) 11.967======================= Grid point 325 (62/90) =======================q-point: ( 0.11 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 3.495 0.000 -7.210) 8.013 2.197 ( 5.051 0.000 19.263) 19.914 2.246 ( 9.582 0.000 17.793) 20.209 2.917 ( -4.047 0.000 -0.102) 4.048 2.982 ( 1.839 0.000 -6.109) 6.380 3.053 ( 4.441 0.000 -1.946) 4.848 4.456 ( -9.079 0.000 -2.539) 9.427 4.564 ( -1.303 0.000 -14.510) 14.569 5.021 ( 3.201 0.000 24.728) 24.934 5.481 ( -12.300 0.000 -2.521) 12.555 5.693 ( 6.648 0.000 -0.277) 6.654 6.694 ( 4.633 0.000 20.927) 21.434 13.894 ( 10.646 0.000 6.617) 12.535 16.099 ( 0.298 0.000 -16.173) 16.175 16.533 ( -3.465 0.000 -1.805) 3.907 16.599 ( 2.177 0.000 -1.454) 2.618 16.995 ( 2.889 0.000 -3.533) 4.564 17.022 ( 4.849 0.000 -12.297) 13.218 17.520 ( -1.557 0.000 5.353) 5.575 17.603 ( 6.036 0.000 2.909) 6.700 21.349 ( -10.813 0.000 11.016) 15.437 22.033 ( -20.472 0.000 8.223) 22.062 22.802 ( 1.940 0.000 0.215) 1.952 22.823 ( 3.751 0.000 -0.096) 3.752 24.024 ( 5.531 0.000 -1.193) 5.658 24.086 ( 10.252 0.000 -0.223) 10.254 30.471 ( 0.916 0.000 -1.482) 1.742 30.613 ( -0.600 0.000 0.112) 0.610 31.839 ( 0.093 0.000 -3.173) 3.175 31.839 ( 0.148 0.000 -3.139) 3.142 34.042 ( 0.843 0.000 4.976) 5.046 34.494 ( -1.989 0.000 -7.837) 8.085 44.491 ( 0.960 0.000 4.687) 4.785 44.495 ( 1.335 0.000 4.588) 4.778 45.946 ( 4.795 0.000 17.145) 17.803 47.370 ( -3.871 0.000 -7.790) 8.699 47.861 ( 0.482 0.000 -2.686) 2.729 47.915 ( 4.903 0.000 -3.323) 5.923 48.387 ( 0.966 0.000 4.891) 4.985 50.650 ( -14.412 0.000 -0.296) 14.415 97.488 ( 1.776 0.000 -0.684) 1.903 97.526 ( 5.232 0.000 -0.826) 5.297 98.117 ( 0.793 0.000 -2.014) 2.164 100.058 ( -10.074 0.000 15.784) 18.725 101.605 ( 0.135 0.000 -0.276) 0.307 101.622 ( 0.624 0.000 -0.422) 0.754 101.739 ( 8.078 0.000 0.427) 8.089 103.653 ( -7.812 0.000 -10.249) 12.887======================= Grid point 326 (63/90) =======================q-point: ( 0.22 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 8.474 0.000 -6.252) 10.531 2.316 ( 5.675 0.000 17.898) 18.776 2.476 ( 11.559 0.000 13.284) 17.610 2.812 ( -5.812 0.000 0.994) 5.897 3.040 ( 4.055 0.000 -2.029) 4.534 3.169 ( 6.688 0.000 -0.995) 6.761 4.293 ( -5.959 0.000 3.250) 6.787 4.529 ( -1.994 0.000 -13.420) 13.567 5.034 ( -2.130 0.000 4.999) 5.434 5.210 ( -13.037 0.000 1.222) 13.095 5.877 ( 10.955 0.000 10.114) 14.910 6.754 ( 0.517 0.000 16.152) 16.160 14.202 ( 19.422 0.000 5.535) 20.195 16.114 ( 1.021 0.000 -12.838) 12.879 16.422 ( -7.639 0.000 -3.490) 8.399 16.614 ( -1.223 0.000 -3.526) 3.732 17.061 ( 2.857 0.000 2.702) 3.932 17.130 ( 4.658 0.000 -3.712) 5.956 17.532 ( 4.468 0.000 -1.727) 4.790 17.778 ( 10.823 0.000 -5.707) 12.236 21.072 ( -15.491 0.000 10.171) 18.531 21.543 ( -26.218 0.000 5.303) 26.749 22.841 ( 1.946 0.000 0.163) 1.952 22.899 ( 3.293 0.000 0.103) 3.294 24.172 ( 8.551 0.000 0.305) 8.556 24.308 ( 10.463 0.000 1.949) 10.643 30.496 ( 1.437 0.000 -1.286) 1.928 30.598 ( -0.790 0.000 -0.040) 0.791 31.841 ( 0.116 0.000 -2.980) 2.982 31.843 ( 0.152 0.000 -2.880) 2.884 34.068 ( 1.828 0.000 3.963) 4.364 34.437 ( -3.486 0.000 -6.612) 7.474 44.517 ( 1.559 0.000 4.908) 5.150 44.529 ( 1.887 0.000 4.634) 5.003 46.090 ( 9.474 0.000 16.184) 18.753 47.274 ( -5.664 0.000 -1.340) 5.820 47.873 ( 0.712 0.000 -3.370) 3.444 48.005 ( 3.058 0.000 -2.114) 3.717 48.446 ( 5.587 0.000 1.026) 5.680 50.261 ( -22.956 0.000 0.794) 22.970 97.537 ( 2.918 0.000 -1.394) 3.234 97.651 ( 6.021 0.000 -1.913) 6.317 98.165 ( 4.833 0.000 -0.713) 4.885 99.789 ( -15.985 0.000 13.111) 20.674 101.609 ( 0.246 0.000 -0.278) 0.371 101.627 ( 0.088 0.000 -0.435) 0.444 101.960 ( 12.987 0.000 0.869) 13.016 103.439 ( -12.799 0.000 -6.530) 14.369======================= Grid point 327 (64/90) =======================q-point: ( 0.33 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 12.115 0.000 -4.617) 12.965 2.362 ( -3.077 0.000 11.318) 11.729 2.643 ( 4.248 0.000 9.573) 10.473 2.742 ( 0.557 0.000 2.917) 2.970 3.153 ( 7.057 0.000 3.276) 7.780 3.298 ( 5.347 0.000 2.321) 5.829 4.238 ( 0.644 0.000 4.442) 4.489 4.488 ( -2.140 0.000 -8.387) 8.656 4.930 ( -7.449 0.000 -2.667) 7.912 5.004 ( -7.068 0.000 -4.294) 8.270 6.112 ( 11.912 0.000 14.467) 18.740 6.705 ( -5.222 0.000 14.642) 15.545 14.656 ( 24.962 0.000 3.954) 25.273 16.064 ( -10.789 0.000 -3.286) 11.278 16.281 ( -1.893 0.000 -10.226) 10.400 16.551 ( -4.657 0.000 -5.902) 7.518 17.103 ( 1.745 0.000 8.233) 8.416 17.185 ( 0.975 0.000 4.465) 4.570 17.717 ( 12.594 0.000 -9.015) 15.488 17.997 ( 9.459 0.000 -11.353) 14.778 20.768 ( -13.424 0.000 8.759) 16.029 21.037 ( -22.604 0.000 3.085) 22.814 22.882 ( 2.053 0.000 0.186) 2.062 22.945 ( 1.201 0.000 0.291) 1.236 24.346 ( 8.186 0.000 1.903) 8.404 24.476 ( 5.798 0.000 3.175) 6.611 30.525 ( 1.426 0.000 -1.046) 1.768 30.583 ( -0.704 0.000 -0.298) 0.764 31.843 ( 0.081 0.000 -2.711) 2.712 31.845 ( 0.053 0.000 -2.592) 2.593 34.116 ( 2.914 0.000 2.217) 3.661 34.358 ( -4.287 0.000 -4.789) 6.428 44.549 ( 1.545 0.000 5.083) 5.312 44.564 ( 1.401 0.000 4.774) 4.976 46.323 ( 13.357 0.000 14.947) 20.045 47.130 ( -8.986 0.000 5.146) 10.355 47.893 ( 1.384 0.000 -3.614) 3.870 48.023 ( -0.947 0.000 -0.622) 1.133 48.625 ( 12.000 0.000 -2.498) 12.257 49.772 ( -24.441 0.000 0.236) 24.442 97.601 ( 3.290 0.000 -2.197) 3.957 97.728 ( 1.300 0.000 -3.003) 3.272 98.343 ( 12.866 0.000 1.633) 12.970 99.434 ( -18.819 0.000 10.083) 21.349 101.614 ( 0.303 0.000 -0.287) 0.417 101.628 ( -0.061 0.000 -0.394) 0.399 102.242 ( 14.642 0.000 0.789) 14.663 103.156 ( -14.828 0.000 -3.100) 15.148======================= Grid point 328 (65/90) =======================q-point: ( 0.44 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 13.391 0.000 -1.815) 13.514 2.195 ( -11.780 0.000 2.585) 12.060 2.715 ( 3.326 0.000 9.064) 9.655 2.759 ( -0.583 0.000 6.108) 6.135 3.293 ( 5.785 0.000 5.012) 7.654 3.356 ( -0.077 0.000 4.493) 4.493 4.308 ( 5.604 0.000 5.266) 7.690 4.424 ( -4.765 0.000 1.868) 5.118 4.830 ( -1.066 0.000 -10.333) 10.388 4.882 ( -5.133 0.000 -10.573) 11.753 6.347 ( 11.229 0.000 15.204) 18.902 6.556 ( -9.209 0.000 14.790) 17.423 15.182 ( 26.479 0.000 2.138) 26.565 15.692 ( -23.254 0.000 0.334) 23.256 16.335 ( 4.875 0.000 -9.917) 11.050 16.444 ( -5.601 0.000 -7.729) 9.545 17.142 ( 2.111 0.000 8.545) 8.801 17.180 ( -1.312 0.000 7.310) 7.427 17.972 ( 11.014 0.000 -10.747) 15.389 18.099 ( -0.539 0.000 -11.867) 11.879 20.588 ( -2.960 0.000 5.924) 6.623 20.679 ( -11.839 0.000 3.176) 12.257 22.922 ( 1.809 0.000 0.288) 1.832 22.949 ( -0.736 0.000 0.347) 0.814 24.483 ( 4.991 0.000 3.055) 5.851 24.535 ( 0.054 0.000 3.511) 3.512 30.551 ( 1.077 0.000 -0.815) 1.351 30.569 ( -0.754 0.000 -0.576) 0.949 31.844 ( 0.049 0.000 -2.484) 2.484 31.845 ( -0.022 0.000 -2.431) 2.431 34.185 ( 3.862 0.000 -0.071) 3.863 34.269 ( -4.386 0.000 -2.529) 5.063 44.575 ( 0.869 0.000 5.099) 5.173 44.581 ( 0.271 0.000 4.965) 4.973 46.614 ( 14.999 0.000 13.262) 20.021 46.904 ( -13.189 0.000 10.243) 16.700 47.932 ( 2.438 0.000 -2.944) 3.822 47.984 ( -2.559 0.000 -1.571) 3.003 48.918 ( 16.897 0.000 -2.864) 17.138 49.305 ( -21.378 0.000 -1.507) 21.431 97.665 ( 3.020 0.000 -2.839) 4.145 97.717 ( -1.886 0.000 -3.189) 3.704 98.661 ( 17.929 0.000 4.192) 18.413 99.043 ( -19.518 0.000 7.037) 20.747 101.620 ( 0.280 0.000 -0.309) 0.417 101.625 ( -0.186 0.000 -0.347) 0.394 102.544 ( 15.154 0.000 0.266) 15.156 102.851 ( -15.269 0.000 -0.893) 15.295======================= Grid point 334 (66/90) =======================q-point: ( 0.11 0.11 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 2.774 2.774 -6.446) 7.545 2.147 ( 0.082 0.082 18.869) 18.869 2.416 ( 10.920 10.920 15.999) 22.236 2.865 ( -3.716 -3.716 -1.179) 5.386 3.043 ( 0.973 0.973 -2.841) 3.157 3.055 ( 3.784 3.784 -2.386) 5.858 4.376 ( -6.167 -6.167 1.443) 8.840 4.557 ( -1.073 -1.073 -14.145) 14.227 4.989 ( -3.284 -3.284 8.517) 9.701 5.524 ( -0.050 -0.050 17.379) 17.379 5.667 ( 1.843 1.843 -7.474) 7.916 6.717 ( 1.519 1.519 19.102) 19.223 13.992 ( 9.563 9.563 6.176) 14.867 16.107 ( 0.892 0.892 -15.381) 15.433 16.476 ( -4.686 -4.686 -2.376) 7.040 16.626 ( 1.190 1.190 -1.536) 2.278 17.044 ( 4.273 4.273 -1.787) 6.301 17.069 ( 4.368 4.368 -9.739) 11.533 17.526 ( -0.062 -0.062 3.160) 3.161 17.633 ( 4.461 4.461 -0.048) 6.309 21.241 ( -9.954 -9.954 10.451) 17.533 21.885 ( -14.414 -14.414 7.953) 21.880 22.774 ( -0.156 -0.156 -0.094) 0.240 22.877 ( 2.863 2.863 -0.001) 4.049 24.020 ( 2.512 2.512 -1.484) 3.850 24.219 ( 9.333 9.333 1.293) 13.263 30.479 ( 0.783 0.783 -1.436) 1.813 30.608 ( -0.506 -0.506 0.061) 0.718 31.837 ( -0.024 -0.024 -2.953) 2.953 31.845 ( 0.331 0.331 -3.233) 3.267 34.049 ( 0.772 0.772 4.684) 4.809 34.475 ( -1.862 -1.862 -7.419) 7.872 44.502 ( 1.023 1.023 4.790) 5.003 44.507 ( 1.246 1.246 4.544) 4.873 45.994 ( 4.729 4.729 16.845) 18.124 47.333 ( -3.323 -3.323 -5.047) 6.896 47.902 ( 2.197 2.197 -2.301) 3.867 47.926 ( 2.260 2.260 -4.242) 5.312 48.397 ( 1.206 1.206 3.765) 4.133 50.515 ( -12.919 -12.919 0.289) 18.273 97.475 ( 0.233 0.233 -0.398) 0.517 97.598 ( 5.172 5.172 -1.715) 7.513 98.129 ( 1.430 1.430 -1.667) 2.621 99.965 ( -8.835 -8.835 14.754) 19.333 101.606 ( 0.144 0.144 -0.295) 0.358 101.625 ( 0.213 0.213 -0.444) 0.536 101.815 ( 7.215 7.215 0.697) 10.227 103.577 ( -7.190 -7.190 -8.789) 13.440======================= Grid point 335 (67/90) =======================q-point: ( 0.22 0.11 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 7.769 1.105 -5.133) 9.377 2.202 ( 4.565 -5.966 17.564) 19.103 2.617 ( 7.061 8.250 11.445) 15.776 2.776 ( -4.474 -3.208 0.425) 5.522 3.058 ( 2.130 1.259 -3.086) 3.956 3.168 ( 6.141 0.325 1.493) 6.328 4.267 ( -3.806 -2.188 5.502) 7.039 4.521 ( -2.374 -1.011 -13.184) 13.434 4.898 ( -5.110 -7.121 -5.933) 10.584 5.409 ( -8.359 13.176 11.814) 19.572 5.833 ( 11.255 -4.256 7.526) 14.192 6.723 ( -1.483 -3.077 16.580) 16.928 14.269 ( 17.554 6.618 4.955) 19.403 16.134 ( 1.283 1.914 -12.618) 12.826 16.347 ( -8.048 -6.672 -3.860) 11.144 16.622 ( -1.724 0.173 -3.337) 3.760 17.119 ( 2.146 4.864 3.696) 6.475 17.166 ( 3.909 2.765 0.006) 4.788 17.564 ( 5.852 3.446 -4.542) 8.170 17.795 ( 10.864 2.478 -7.527) 13.447 20.988 ( -14.001 -7.634 9.355) 18.488 21.494 ( -22.781 -5.561 6.515) 24.338 22.797 ( 2.083 -2.779 0.029) 3.474 22.926 ( 1.819 1.428 0.043) 2.313 24.127 ( 7.446 -1.634 -0.430) 7.636 24.402 ( 7.925 6.337 2.815) 10.530 30.500 ( 1.240 0.453 -1.314) 1.863 30.595 ( -0.682 -0.307 -0.110) 0.756 31.838 ( 0.136 -0.031 -2.706) 2.709 31.851 ( 0.250 0.524 -3.139) 3.192 34.074 ( 1.690 0.561 3.752) 4.153 34.422 ( -3.284 -1.535 -6.252) 7.227 44.529 ( 1.556 1.104 4.940) 5.296 44.540 ( 1.852 1.102 4.557) 5.041 46.135 ( 9.132 4.314 16.087) 18.994 47.246 ( -5.291 -2.610 0.544) 5.925 47.915 ( 0.303 3.810 -3.494) 5.178 48.001 ( 3.221 -0.300 -2.277) 3.956 48.457 ( 5.422 1.270 0.296) 5.576 50.164 ( -20.812 -9.310 0.889) 22.816 97.503 ( 2.408 -1.926 -0.730) 3.169 97.696 ( 3.723 2.835 -2.766) 5.436 98.198 ( 6.065 3.399 -0.502) 6.970 99.724 ( -14.502 -6.234 12.364) 20.051 101.610 ( 0.218 0.130 -0.305) 0.397 101.628 ( 0.062 0.066 -0.440) 0.449 102.010 ( 11.614 4.803 0.955) 12.604 103.380 ( -11.877 -5.667 -5.585) 14.296======================= Grid point 336 (68/90) =======================q-point: ( 0.33 0.11 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 11.786 -0.077 -3.722) 12.360 2.279 ( 0.853 -6.747 13.189) 14.840 2.619 ( -3.004 -2.189 4.059) 5.503 2.758 ( 0.425 -0.094 5.653) 5.669 3.143 ( 6.020 -1.202 -0.099) 6.140 3.284 ( 4.673 -0.903 4.258) 6.386 4.234 ( 0.400 -0.898 5.224) 5.316 4.462 ( -3.651 -2.377 -8.737) 9.763 4.822 ( -1.252 -2.087 -10.822) 11.092 5.228 ( -9.368 13.593 4.717) 17.169 6.069 ( 11.722 -4.234 13.684) 18.509 6.649 ( -5.766 -5.363 15.407) 17.302 14.682 ( 22.824 2.638 3.228) 23.201 16.033 ( -14.381 -3.742 -2.635) 15.092 16.259 ( 2.225 -0.950 -11.330) 11.585 16.558 ( -4.439 0.459 -5.659) 7.206 17.135 ( 0.403 2.439 8.668) 9.014 17.207 ( 0.416 1.677 6.106) 6.345 17.772 ( 13.316 5.723 -9.806) 17.499 18.023 ( 10.206 2.951 -11.798) 15.877 20.718 ( -11.722 -4.577 7.960) 14.891 21.029 ( -21.792 -1.259 4.869) 22.365 22.846 ( 2.540 -3.039 0.179) 3.965 22.947 ( 0.198 -0.237 0.208) 0.372 24.294 ( 8.438 -3.442 1.238) 9.197 24.518 ( 3.306 2.510 3.518) 5.441 30.526 ( 1.273 0.104 -1.148) 1.717 30.582 ( -0.656 -0.160 -0.387) 0.778 31.842 ( 0.237 0.116 -2.514) 2.528 31.854 ( 0.018 0.621 -2.899) 2.965 34.118 ( 2.723 0.227 2.139) 3.470 34.346 ( -4.059 -1.108 -4.499) 6.159 44.561 ( 1.524 1.092 5.038) 5.375 44.575 ( 1.390 1.046 4.672) 4.986 46.356 ( 12.593 3.184 15.070) 19.895 47.110 ( -8.492 -1.922 6.424) 10.820 47.927 ( 0.995 3.112 -3.773) 4.991 48.030 ( -0.265 0.854 -1.025) 1.360 48.629 ( 11.495 0.396 -2.679) 11.809 49.717 ( -22.569 -5.358 0.125) 23.196 97.564 ( 3.392 -2.881 -1.478) 4.689 97.729 ( -0.340 -0.405 -3.168) 3.211 98.388 ( 12.622 4.275 1.312) 13.391 99.399 ( -17.314 -3.362 9.462) 20.016 101.615 ( 0.274 0.077 -0.313) 0.423 101.628 ( -0.068 0.045 -0.407) 0.415 102.266 ( 13.428 2.309 0.873) 13.653 103.117 ( -13.851 -3.814 -2.575) 14.596======================= Grid point 337 (69/90) =======================q-point: ( 0.44 0.11 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( 13.005 -0.758 -1.285) 13.090 2.171 ( -10.357 -2.236 3.445) 11.142 2.639 ( 4.145 -6.275 7.568) 10.669 2.725 ( -3.456 -4.199 6.597) 8.550 3.268 ( 5.407 -2.809 2.913) 6.754 3.331 ( -0.413 -2.224 4.848) 5.350 4.275 ( 3.553 -2.775 0.499) 4.536 4.369 ( -5.241 -3.977 -3.673) 7.535 4.874 ( 6.102 6.297 -8.230) 12.025 5.037 ( -9.306 11.214 -1.659) 14.667 6.297 ( 10.784 -4.862 15.126) 19.202 6.498 ( -8.945 -5.567 15.220) 18.511 15.167 ( 24.645 -1.297 1.318) 24.714 15.648 ( -22.368 -4.129 -0.504) 22.752 16.344 ( 5.240 1.036 -9.791) 11.153 16.455 ( -5.513 1.002 -7.643) 9.477 17.157 ( 1.670 0.942 8.909) 9.113 17.193 ( -1.577 0.859 7.968) 8.168 18.031 ( 10.687 5.946 -10.614) 16.193 18.143 ( 0.472 4.512 -11.678) 12.528 20.567 ( -1.899 -1.969 6.001) 6.595 20.672 ( -12.267 -0.720 4.456) 13.071 22.896 ( 2.308 -2.442 0.278) 3.372 22.934 ( -1.377 -1.529 0.299) 2.080 24.446 ( 6.233 -3.004 2.652) 7.410 24.531 ( -1.933 -0.838 3.447) 4.039 30.550 ( 1.031 -0.091 -0.946) 1.402 30.568 ( -0.756 -0.127 -0.690) 1.032 31.847 ( 0.275 0.356 -2.477) 2.517 31.852 ( -0.195 0.560 -2.631) 2.697 34.183 ( 3.640 -0.190 0.001) 3.645 34.262 ( -4.153 -0.648 -2.330) 4.805 44.586 ( 0.850 1.060 5.006) 5.187 44.592 ( 0.276 1.039 4.855) 4.972 46.629 ( 13.962 1.345 13.618) 19.550 46.899 ( -12.296 -0.605 10.970) 16.490 47.959 ( 2.080 2.581 -3.157) 4.578 48.003 ( -2.077 1.937 -1.895) 3.414 48.911 ( 16.276 -0.722 -2.900) 16.548 49.281 ( -20.224 -2.416 -1.572) 20.429 97.634 ( 3.418 -2.808 -2.271) 4.972 97.696 ( -2.603 -2.057 -2.886) 4.397 98.688 ( 16.569 2.456 3.650) 17.143 99.040 ( -17.973 -0.398 6.459) 19.103 101.621 ( 0.268 0.038 -0.332) 0.429 101.625 ( -0.190 0.032 -0.366) 0.414 102.545 ( 14.092 0.100 0.420) 14.098 102.831 ( -14.280 -1.900 -0.610) 14.418======================= Grid point 344 (70/90) =======================q-point: ( 0.22 0.22 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 5.003 5.003 -2.438) 7.483 2.132 ( -0.887 -0.887 16.175) 16.224 2.684 ( -5.101 -5.101 -0.371) 7.223 2.730 ( 1.401 1.401 8.228) 8.463 3.071 ( 0.398 0.398 -6.404) 6.429 3.209 ( 3.663 3.663 6.479) 8.295 4.222 ( -2.090 -2.090 7.104) 7.694 4.485 ( -2.494 -2.494 -13.069) 13.537 4.813 ( -0.881 -0.881 -11.082) 11.152 5.641 ( 3.450 3.450 29.917) 30.312 5.744 ( 1.582 1.582 -7.546) 7.871 6.635 ( -5.493 -5.493 17.071) 18.756 14.464 ( 12.538 12.538 3.437) 18.061 16.168 ( -10.616 -10.616 -3.565) 15.430 16.191 ( 3.240 3.240 -12.368) 13.189 16.609 ( -1.497 -1.497 -4.230) 4.730 17.188 ( 0.038 0.038 6.715) 6.716 17.214 ( 2.305 2.305 6.790) 7.532 17.695 ( 10.080 10.080 -9.428) 17.091 17.915 ( 9.487 9.487 -11.045) 17.378 20.799 ( -10.322 -10.322 8.143) 16.716 21.297 ( -13.892 -13.892 7.861) 21.160 22.761 ( -0.445 -0.445 -0.167) 0.651 22.942 ( 0.077 0.077 0.057) 0.123 24.144 ( 3.262 3.262 -0.495) 4.640 24.510 ( 3.810 3.810 3.559) 6.457 30.513 ( 0.758 0.758 -1.370) 1.739 30.587 ( -0.462 -0.462 -0.320) 0.728 31.840 ( 0.270 0.270 -2.544) 2.573 31.861 ( 0.437 0.437 -3.243) 3.302 34.092 ( 1.278 1.278 3.072) 3.564 34.378 ( -2.741 -2.741 -5.228) 6.508 44.557 ( 1.607 1.607 4.973) 5.468 44.570 ( 1.715 1.715 4.442) 5.060 46.259 ( 7.885 7.885 15.796) 19.335 47.173 ( -4.660 -4.660 4.823) 8.166 47.982 ( 0.879 0.879 -3.596) 3.805 48.018 ( 3.344 3.344 -2.256) 5.240 48.509 ( 4.268 4.268 -1.601) 6.245 49.906 ( -15.521 -15.521 0.698) 21.962 97.485 ( 0.204 0.204 -0.395) 0.489 97.727 ( 0.004 0.004 -3.194) 3.194 98.310 ( 7.794 7.794 -0.083) 11.022 99.549 ( -10.801 -10.801 10.416) 18.488 101.613 ( 0.161 0.161 -0.342) 0.411 101.629 ( 0.026 0.026 -0.444) 0.446 102.145 ( 8.275 8.275 1.075) 11.752 103.223 ( -9.514 -9.514 -3.447) 13.890======================= Grid point 345 (71/90) =======================q-point: ( 0.33 0.22 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( 10.025 1.339 -0.456) 10.125 2.149 ( 1.505 -5.114 13.123) 14.165 2.557 ( -6.552 -3.905 1.229) 7.726 2.696 ( -4.248 -6.192 5.768) 9.469 3.103 ( 3.017 -2.307 -6.422) 7.461 3.278 ( 2.064 -0.098 6.870) 7.174 4.192 ( -0.440 -2.719 0.997) 2.929 4.416 ( -4.467 -2.003 -11.578) 12.570 4.871 ( 6.453 6.180 -6.570) 11.091 5.501 ( -10.228 12.995 11.337) 20.051 5.944 ( 11.301 -7.947 11.118) 17.734 6.506 ( -7.220 -8.339 16.776) 20.078 14.766 ( 17.137 5.845 1.480) 18.166 15.898 ( -15.803 -9.338 -3.274) 18.645 16.277 ( 4.822 2.615 -11.074) 12.359 16.561 ( -3.279 -0.224 -5.929) 6.779 17.163 ( -1.292 -0.181 9.208) 9.300 17.228 ( -0.904 -0.110 8.053) 8.105 17.953 ( 14.226 11.917 -9.844) 21.007 18.134 ( 10.675 8.129 -11.697) 17.801 20.605 ( -7.988 -6.040 7.238) 12.356 20.965 ( -17.635 -5.424 7.731) 20.004 22.779 ( 1.979 -3.049 -0.033) 3.635 22.928 ( -1.416 -1.664 0.152) 2.190 24.246 ( 6.374 -0.924 0.534) 6.463 24.544 ( -0.430 -0.125 3.605) 3.633 30.530 ( 0.889 0.243 -1.377) 1.657 30.577 ( -0.561 -0.310 -0.644) 0.909 31.848 ( 0.462 0.483 -2.527) 2.614 31.867 ( 0.111 0.625 -3.166) 3.229 34.127 ( 2.150 0.621 1.857) 2.908 34.315 ( -3.410 -1.980 -3.670) 5.387 44.590 ( 1.510 1.639 4.913) 5.395 44.603 ( 1.345 1.613 4.460) 4.929 46.445 ( 10.275 5.407 15.272) 19.185 47.053 ( -7.286 -3.653 9.316) 12.378 47.995 ( 1.090 3.071 -3.727) 4.951 48.073 ( 1.224 3.650 -1.970) 4.324 48.647 ( 9.609 1.625 -3.198) 10.257 49.564 ( -17.786 -9.495 -0.304) 20.164 97.510 ( 2.218 -2.044 -0.656) 3.087 97.700 ( -2.460 -2.445 -2.780) 4.445 98.504 ( 11.144 6.904 0.821) 13.135 99.303 ( -13.272 -6.065 7.825) 16.558 101.617 ( 0.202 0.072 -0.362) 0.420 101.629 ( -0.091 -0.004 -0.432) 0.442 102.334 ( 10.199 4.336 1.059) 11.133 103.011 ( -11.222 -6.441 -1.346) 13.008======================= Grid point 346 (72/90) =======================q-point: ( 0.44 0.22 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 11.832 -0.842 0.868) 11.894 2.113 ( -6.822 -3.138 5.329) 9.208 2.492 ( 1.670 -7.882 5.964) 10.024 2.586 ( -6.017 -9.212 6.576) 12.818 3.186 ( 4.734 -4.743 -2.976) 7.332 3.269 ( -2.822 -4.025 2.929) 5.723 4.220 ( 3.304 -1.985 -5.828) 6.987 4.312 ( -5.350 -1.500 -9.323) 10.853 5.050 ( 10.659 10.342 0.558) 14.862 5.278 ( -11.495 12.137 6.023) 17.768 6.159 ( 9.941 -8.564 14.549) 19.592 6.346 ( -8.596 -9.062 15.911) 20.229 15.141 ( 19.666 -0.870 -0.453) 19.691 15.540 ( -19.273 -6.271 -2.105) 20.377 16.379 ( 5.174 2.366 -9.531) 11.100 16.480 ( -4.657 1.359 -7.740) 9.134 17.159 ( 0.944 -0.997 9.097) 9.200 17.193 ( -2.097 -1.129 8.517) 8.843 18.207 ( 9.335 10.929 -9.401) 17.174 18.280 ( 2.422 8.768 -10.387) 13.807 20.518 ( 0.480 -2.550 6.765) 7.245 20.649 ( -12.177 -1.677 7.002) 14.146 22.831 ( 2.870 -3.750 0.159) 4.725 22.887 ( -2.546 -3.073 0.215) 3.997 24.381 ( 6.585 -3.079 1.898) 7.513 24.495 ( -4.316 -2.694 3.010) 5.912 30.548 ( 0.870 -0.098 -1.258) 1.533 30.564 ( -0.724 -0.239 -0.994) 1.253 31.858 ( 0.472 0.668 -2.678) 2.800 31.865 ( -0.258 0.723 -2.937) 3.035 34.179 ( 2.975 -0.208 0.165) 2.987 34.244 ( -3.466 -1.107 -1.780) 4.051 44.614 ( 0.822 1.627 4.775) 5.111 44.620 ( 0.287 1.602 4.597) 4.877 46.663 ( 11.077 1.954 14.338) 18.223 46.878 ( -9.926 -1.430 12.541) 16.058 48.029 ( 2.063 4.154 -3.377) 5.737 48.068 ( -1.459 4.457 -2.502) 5.316 48.891 ( 14.249 -1.233 -3.061) 14.626 49.209 ( -17.026 -4.615 -1.809) 17.733 97.568 ( 3.337 -3.348 -1.286) 4.899 97.638 ( -3.460 -3.472 -2.056) 5.315 98.751 ( 13.114 3.565 2.609) 13.838 99.026 ( -13.911 -1.058 5.080) 14.847 101.621 ( 0.234 -0.004 -0.380) 0.446 101.626 ( -0.199 -0.025 -0.406) 0.453 102.550 ( 11.144 0.505 0.790) 11.183 102.780 ( -11.531 -3.077 0.067) 11.934======================= Grid point 354 (73/90) =======================q-point: ( 0.33 0.33 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 5.536 5.536 3.759) 8.685 2.091 ( -0.774 -0.774 9.781) 9.842 2.459 ( -6.077 -6.077 1.405) 8.709 2.528 ( -9.419 -9.419 6.606) 14.869 3.074 ( -0.249 -0.249 -9.850) 9.856 3.252 ( -2.764 -2.764 3.562) 5.289 4.163 ( 0.454 0.454 -5.924) 5.959 4.368 ( -2.979 -2.979 -11.646) 12.385 5.043 ( 10.330 10.330 1.791) 14.719 5.719 ( 0.273 0.273 31.794) 31.797 5.780 ( 0.255 0.255 -7.323) 7.332 6.329 ( -8.920 -8.920 16.981) 21.155 14.920 ( 9.434 9.434 -0.476) 13.351 15.674 ( -12.469 -12.469 -3.726) 18.024 16.349 ( 4.191 4.191 -10.268) 11.856 16.547 ( -1.301 -1.301 -6.958) 7.197 17.138 ( -1.620 -1.620 9.237) 9.517 17.201 ( -2.306 -2.306 8.228) 8.851 18.220 ( 13.377 13.377 -8.308) 20.662 18.324 ( 9.548 9.548 -10.016) 16.812 20.498 ( -3.902 -3.902 7.351) 9.192 20.808 ( -9.827 -9.827 9.310) 16.727 22.740 ( -0.562 -0.562 -0.186) 0.816 22.881 ( -2.926 -2.926 0.144) 4.141 24.261 ( 2.375 2.375 0.576) 3.408 24.511 ( -3.051 -3.051 3.134) 5.332 30.536 ( 0.424 0.424 -1.565) 1.676 30.569 ( -0.463 -0.463 -1.012) 1.206 31.860 ( 0.639 0.639 -2.710) 2.857 31.877 ( 0.315 0.315 -3.304) 3.334 34.145 ( 1.225 1.225 1.258) 2.141 34.269 ( -2.430 -2.430 -2.438) 4.213 44.623 ( 1.515 1.515 4.718) 5.182 44.634 ( 1.326 1.326 4.329) 4.718 46.567 ( 6.543 6.543 15.244) 17.833 46.963 ( -5.333 -5.333 12.107) 14.264 48.055 ( 3.131 3.131 -3.623) 5.721 48.150 ( 2.918 2.918 -2.261) 4.706 48.712 ( 5.310 5.310 -3.731) 8.385 49.346 ( -11.860 -11.860 -1.151) 16.811 97.489 ( 0.026 0.026 -0.377) 0.378 97.638 ( -3.535 -3.535 -1.971) 5.374 98.657 ( 8.039 8.039 0.930) 11.407 99.161 ( -7.760 -7.760 5.684) 12.359 101.618 ( 0.085 0.085 -0.397) 0.415 101.628 ( -0.120 -0.120 -0.444) 0.475 102.437 ( 5.870 5.870 1.209) 8.389 102.867 ( -7.547 -7.547 -0.083) 10.674======================= Grid point 355 (74/90) =======================q-point: ( 0.44 0.33 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 9.597 0.809 5.142) 10.918 2.068 ( -4.186 -0.730 5.454) 6.914 2.330 ( -3.420 -8.316 6.050) 10.838 2.373 ( -5.653 -11.001 6.742) 14.086 3.099 ( 2.733 -3.416 -9.211) 10.197 3.175 ( -4.355 -4.927 -3.803) 7.596 4.209 ( 3.722 0.819 -8.951) 9.728 4.294 ( -4.242 -0.704 -10.509) 11.354 5.271 ( 11.941 11.250 8.179) 18.332 5.514 ( -11.967 11.119 12.982) 20.866 5.963 ( 9.630 -10.522 12.101) 18.706 6.149 ( -8.946 -10.094 15.414) 20.482 15.143 ( 12.398 1.151 -2.118) 12.630 15.408 ( -13.566 -6.525 -3.255) 15.402 16.435 ( 4.064 2.936 -9.427) 10.677 16.505 ( -2.825 1.033 -8.276) 8.806 17.121 ( 0.268 -2.313 8.900) 9.199 17.150 ( -2.321 -2.814 8.390) 9.149 18.437 ( 6.855 10.814 -7.469) 14.823 18.469 ( 3.589 9.008 -8.223) 12.714 20.477 ( 2.517 -1.163 8.154) 8.612 20.603 ( -9.282 -2.873 9.163) 13.355 22.758 ( 2.145 -3.063 -0.058) 3.740 22.816 ( -3.304 -3.755 0.097) 5.003 24.333 ( 4.500 -1.453 1.282) 4.900 24.430 ( -4.727 -3.484 2.262) 6.292 30.547 ( 0.567 0.000 -1.575) 1.674 30.558 ( -0.577 -0.300 -1.368) 1.515 31.872 ( 0.514 0.672 -2.991) 3.108 31.879 ( -0.142 0.540 -3.234) 3.282 34.176 ( 1.897 0.044 0.274) 1.917 34.220 ( -2.375 -1.231 -1.031) 2.867 44.647 ( 0.783 1.479 4.509) 4.810 44.651 ( 0.335 1.391 4.357) 4.586 46.704 ( 6.927 2.044 14.825) 16.491 46.841 ( -6.558 -2.189 13.893) 15.518 48.121 ( 3.196 4.836 -3.223) 6.633 48.168 ( -1.064 4.891 -2.546) 5.616 48.869 ( 10.057 -0.561 -3.394) 10.630 49.099 ( -12.238 -6.110 -2.303) 13.871 97.511 ( 2.030 -2.108 -0.590) 2.985 97.566 ( -3.324 -3.408 -1.167) 4.901 98.824 ( 8.486 3.578 1.889) 9.401 98.996 ( -8.473 -1.869 3.569) 9.381 101.621 ( 0.155 -0.043 -0.417) 0.447 101.624 ( -0.189 -0.117 -0.435) 0.488 102.567 ( 6.917 1.231 1.170) 7.122 102.714 ( -7.540 -3.310 0.780) 8.271======================= Grid point 364 (75/90) =======================q-point: ( 0.44 0.44 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 5.368 5.368 8.330) 11.270 2.087 ( 0.324 0.324 2.291) 2.336 2.138 ( -7.137 -7.137 11.836) 15.555 2.202 ( -6.360 -6.360 4.669) 10.134 3.060 ( -0.274 -0.274 -12.326) 12.332 3.090 ( -3.104 -3.104 -10.306) 11.202 4.240 ( 1.889 1.889 -9.900) 10.254 4.274 ( -1.345 -1.345 -10.429) 10.601 5.499 ( 11.258 11.258 15.242) 22.041 5.693 ( -0.860 -0.860 34.549) 34.570 5.778 ( -0.164 -0.164 -7.072) 7.076 5.946 ( -9.920 -9.920 11.961) 18.436 15.191 ( 3.615 3.615 -3.201) 6.032 15.285 ( -5.545 -5.545 -3.603) 8.630 16.488 ( 2.156 2.156 -9.421) 9.902 16.514 ( -0.339 -0.339 -9.039) 9.051 17.086 ( -0.793 -0.793 8.782) 8.854 17.098 ( -1.906 -1.906 8.520) 8.936 18.600 ( 4.552 4.552 -6.313) 9.016 18.606 ( 3.804 3.804 -6.600) 8.515 20.482 ( 1.658 1.658 9.490) 9.776 20.537 ( -3.405 -3.405 10.021) 11.118 22.722 ( -0.272 -0.272 -0.167) 0.420 22.748 ( -2.644 -2.644 -0.065) 3.740 24.327 ( 0.838 0.838 1.128) 1.636 24.365 ( -2.746 -2.746 1.517) 4.169 30.548 ( 0.151 0.151 -1.734) 1.747 30.552 ( -0.270 -0.270 -1.655) 1.699 31.883 ( 0.369 0.369 -3.271) 3.313 31.886 ( 0.107 0.107 -3.371) 3.374 34.182 ( 0.512 0.512 0.145) 0.738 34.197 ( -0.988 -0.988 -0.316) 1.432 44.669 ( 0.665 0.665 4.312) 4.414 44.671 ( 0.479 0.479 4.252) 4.306 46.746 ( 2.219 2.219 14.890) 15.217 46.794 ( -2.427 -2.427 14.616) 15.014 48.209 ( 3.384 3.384 -2.677) 5.484 48.236 ( 1.147 1.147 -2.301) 2.816 48.886 ( 2.612 2.612 -3.559) 5.130 48.975 ( -5.785 -5.785 -3.034) 8.726 97.489 ( -0.029 -0.029 -0.356) 0.359 97.510 ( -2.048 -2.048 -0.563) 2.950 98.892 ( 3.164 3.164 1.813) 4.828 98.951 ( -2.594 -2.594 2.404) 4.387 101.620 ( 0.020 0.020 -0.434) 0.435 101.622 ( -0.117 -0.117 -0.441) 0.471 102.600 ( 2.083 2.083 1.363) 3.247 102.651 ( -2.858 -2.858 1.246) 4.229======================= Grid point 405 (76/90) =======================q-point: ( 0.00 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 0.000 0.000 -2.893) 2.893 2.421 ( 0.000 0.000 7.320) 7.320 2.421 ( 0.000 0.000 7.320) 7.320 2.871 ( 0.000 0.000 -1.709) 1.709 2.871 ( 0.000 0.000 -1.709) 1.709 3.063 ( 0.000 0.000 1.569) 1.569 4.339 ( 0.000 0.000 -7.551) 7.551 4.339 ( 0.000 0.000 -7.551) 7.551 5.531 ( 0.000 0.000 -2.309) 2.309 5.531 ( 0.000 0.000 -2.309) 2.309 5.603 ( 0.000 0.000 17.637) 17.637 6.959 ( 0.000 0.000 7.986) 7.986 13.887 ( 0.000 0.000 2.868) 2.868 15.838 ( 0.000 0.000 -7.383) 7.383 16.550 ( 0.000 0.000 -0.516) 0.516 16.550 ( 0.000 0.000 -0.516) 0.516 16.759 ( 0.000 0.000 -5.608) 5.608 16.916 ( 0.000 0.000 -1.072) 1.072 17.636 ( 0.000 0.000 2.573) 2.573 17.636 ( 0.000 0.000 2.573) 2.573 21.616 ( 0.000 0.000 3.794) 3.794 22.411 ( 0.000 0.000 3.919) 3.919 22.775 ( 0.000 0.000 -0.030) 0.030 22.775 ( 0.000 0.000 -0.030) 0.030 23.940 ( 0.000 0.000 -0.678) 0.678 23.940 ( 0.000 0.000 -0.678) 0.678 30.440 ( 0.000 0.000 -0.576) 0.576 30.622 ( 0.000 0.000 0.056) 0.056 31.792 ( 0.000 0.000 -1.224) 1.224 31.792 ( 0.000 0.000 -1.224) 1.224 34.148 ( 0.000 0.000 5.616) 5.616 34.357 ( 0.000 0.000 -6.769) 6.769 44.545 ( 0.000 0.000 1.765) 1.765 44.545 ( 0.000 0.000 1.765) 1.765 46.166 ( 0.000 0.000 8.167) 8.167 47.229 ( 0.000 0.000 -5.974) 5.974 47.822 ( 0.000 0.000 -0.914) 0.914 47.822 ( 0.000 0.000 -0.914) 0.914 48.465 ( 0.000 0.000 2.281) 2.281 50.784 ( 0.000 0.000 -0.490) 0.490 97.464 ( 0.000 0.000 -0.145) 0.145 97.464 ( 0.000 0.000 -0.145) 0.145 98.082 ( 0.000 0.000 -0.752) 0.752 100.412 ( 0.000 0.000 6.854) 6.854 101.599 ( 0.000 0.000 -0.112) 0.112 101.599 ( 0.000 0.000 -0.112) 0.112 101.663 ( 0.000 0.000 -0.020) 0.020 103.557 ( 0.000 0.000 -5.101) 5.101======================= Grid point 406 (77/90) =======================q-point: ( 0.11 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( 3.923 0.000 -2.817) 4.829 2.475 ( 5.059 0.000 7.549) 9.088 2.491 ( 6.328 0.000 5.927) 8.670 2.886 ( -0.242 0.000 -1.011) 1.040 2.921 ( 4.802 0.000 -0.061) 4.803 3.057 ( 1.201 0.000 0.598) 1.342 4.294 ( -3.990 0.000 -6.748) 7.840 4.327 ( -1.097 0.000 -7.495) 7.575 5.312 ( -11.227 0.000 3.702) 11.821 5.432 ( -9.040 0.000 -1.528) 9.168 5.852 ( 13.986 0.000 10.187) 17.303 6.983 ( 1.701 0.000 7.413) 7.606 13.990 ( 10.069 0.000 2.692) 10.422 15.856 ( 1.828 0.000 -6.947) 7.183 16.507 ( -3.938 0.000 -0.778) 4.014 16.578 ( 1.527 0.000 -0.596) 1.639 16.842 ( 7.618 0.000 -4.749) 8.977 16.949 ( 3.956 0.000 -1.352) 4.180 17.602 ( -3.024 0.000 2.359) 3.835 17.659 ( 2.252 0.000 1.851) 2.915 21.493 ( -11.242 0.000 3.667) 11.825 22.148 ( -22.521 0.000 3.109) 22.734 22.805 ( 1.901 0.000 0.068) 1.902 22.821 ( 3.854 0.000 -0.060) 3.855 24.008 ( 6.364 0.000 -0.432) 6.379 24.084 ( 12.023 0.000 0.025) 12.023 30.450 ( 1.021 0.000 -0.546) 1.158 30.615 ( -0.662 0.000 0.040) 0.663 31.794 ( 0.186 0.000 -1.197) 1.212 31.795 ( 0.285 0.000 -1.187) 1.220 34.150 ( 0.148 0.000 5.296) 5.298 34.345 ( -1.173 0.000 -6.420) 6.526 44.557 ( 1.110 0.000 1.820) 2.131 44.560 ( 1.332 0.000 1.756) 2.204 46.206 ( 4.004 0.000 7.809) 8.776 47.232 ( 0.207 0.000 -4.701) 4.705 47.823 ( 0.083 0.000 -1.023) 1.026 47.868 ( 4.213 0.000 -1.271) 4.401 48.461 ( -0.246 0.000 2.084) 2.099 50.642 ( -13.650 0.000 -0.299) 13.653 97.479 ( 1.406 0.000 -0.247) 1.427 97.515 ( 4.742 0.000 -0.262) 4.750 98.092 ( 1.305 0.000 -0.619) 1.444 100.284 ( -11.829 0.000 6.210) 13.360 101.601 ( 0.135 0.000 -0.111) 0.175 101.616 ( 0.555 0.000 -0.149) 0.575 101.748 ( 8.710 0.000 0.306) 8.715 103.497 ( -5.744 0.000 -4.522) 7.311======================= Grid point 407 (78/90) =======================q-point: ( 0.22 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 9.301 0.000 -2.533) 9.639 2.595 ( 5.388 0.000 9.169) 10.635 2.639 ( 7.506 0.000 3.097) 8.120 2.799 ( -7.033 0.000 -1.885) 7.281 3.056 ( 8.189 0.000 2.724) 8.630 3.171 ( 8.853 0.000 0.506) 8.867 4.212 ( -3.166 0.000 -5.241) 6.123 4.304 ( -0.846 0.000 -7.238) 7.288 5.103 ( -9.732 0.000 1.323) 9.821 5.204 ( -12.689 0.000 -0.703) 12.708 6.127 ( 13.131 0.000 9.592) 16.262 6.997 ( -0.893 0.000 6.739) 6.798 14.281 ( 18.398 0.000 2.210) 18.530 15.913 ( 3.825 0.000 -5.889) 7.022 16.385 ( -8.615 0.000 -0.792) 8.651 16.563 ( -3.193 0.000 -1.458) 3.510 17.039 ( 10.913 0.000 -2.892) 11.289 17.087 ( 8.672 0.000 -0.039) 8.672 17.543 ( -1.614 0.000 1.035) 1.917 17.729 ( 4.875 0.000 -0.458) 4.897 21.208 ( -15.953 0.000 3.497) 16.332 21.617 ( -28.199 0.000 1.971) 28.268 22.842 ( 1.909 0.000 -0.007) 1.909 22.901 ( 3.461 0.000 0.051) 3.462 24.176 ( 9.698 0.000 0.134) 9.699 24.337 ( 11.623 0.000 0.852) 11.654 30.478 ( 1.604 0.000 -0.467) 1.670 30.598 ( -0.931 0.000 -0.013) 0.931 31.799 ( 0.280 0.000 -1.125) 1.159 31.802 ( 0.359 0.000 -1.091) 1.149 34.155 ( 0.415 0.000 4.324) 4.344 34.312 ( -1.972 0.000 -5.394) 5.743 44.587 ( 1.731 0.000 1.930) 2.592 44.594 ( 1.945 0.000 1.758) 2.621 46.330 ( 8.269 0.000 6.944) 10.798 47.230 ( -0.733 0.000 -1.932) 2.067 47.827 ( 0.387 0.000 -1.213) 1.273 47.967 ( 4.673 0.000 -1.290) 4.848 48.474 ( 2.388 0.000 1.132) 2.642 50.264 ( -22.813 0.000 -0.090) 22.813 97.518 ( 2.378 0.000 -0.495) 2.429 97.626 ( 5.141 0.000 -0.626) 5.179 98.159 ( 6.203 0.000 -0.105) 6.204 99.974 ( -18.121 0.000 5.027) 18.805 101.605 ( 0.244 0.000 -0.111) 0.268 101.621 ( 0.103 0.000 -0.159) 0.189 101.976 ( 13.087 0.000 0.547) 13.099 103.335 ( -10.089 0.000 -3.164) 10.574======================= Grid point 408 (79/90) =======================q-point: ( 0.33 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 13.719 0.000 -1.850) 13.843 2.521 ( -12.229 0.000 4.269) 12.953 2.765 ( 4.957 0.000 2.494) 5.549 2.785 ( 4.788 0.000 1.466) 5.008 3.227 ( 8.155 0.000 3.129) 8.734 3.349 ( 7.332 0.000 2.109) 7.629 4.205 ( 3.084 0.000 -3.460) 4.635 4.313 ( 2.327 0.000 -6.195) 6.617 4.905 ( -10.254 0.000 -0.226) 10.256 4.946 ( -12.384 0.000 -1.898) 12.529 6.379 ( 11.812 0.000 8.825) 14.744 6.936 ( -5.166 0.000 6.723) 8.478 14.712 ( 23.701 0.000 1.542) 23.751 15.985 ( 0.005 0.000 -3.328) 3.328 16.164 ( -10.238 0.000 -2.096) 10.450 16.465 ( -6.074 0.000 -2.437) 6.544 17.214 ( 5.034 0.000 2.205) 5.496 17.238 ( 5.284 0.000 1.786) 5.577 17.602 ( 8.405 0.000 -2.775) 8.852 17.853 ( 6.572 0.000 -3.461) 7.427 20.890 ( -14.464 0.000 3.329) 14.842 21.078 ( -23.694 0.000 0.987) 23.715 22.883 ( 2.138 0.000 0.024) 2.138 22.949 ( 1.279 0.000 0.114) 1.284 24.373 ( 9.172 0.000 0.723) 9.200 24.522 ( 6.273 0.000 1.262) 6.399 30.511 ( 1.597 0.000 -0.369) 1.639 30.579 ( -0.890 0.000 -0.100) 0.895 31.805 ( 0.263 0.000 -1.030) 1.063 31.808 ( 0.220 0.000 -0.988) 1.012 34.168 ( 0.866 0.000 2.719) 2.854 34.269 ( -2.226 0.000 -3.758) 4.368 44.622 ( 1.612 0.000 2.002) 2.570 44.631 ( 1.536 0.000 1.813) 2.376 46.536 ( 11.959 0.000 5.904) 13.337 47.182 ( -4.542 0.000 0.891) 4.628 47.846 ( 1.729 0.000 -1.135) 2.068 48.017 ( -0.149 0.000 -0.204) 0.253 48.594 ( 9.984 0.000 -0.699) 10.009 49.766 ( -25.449 0.000 -0.387) 25.452 97.571 ( 2.797 0.000 -0.771) 2.901 97.688 ( 0.865 0.000 -1.011) 1.331 98.368 ( 14.525 0.000 0.736) 14.544 99.575 ( -20.976 0.000 3.816) 21.321 101.610 ( 0.293 0.000 -0.114) 0.315 101.622 ( -0.032 0.000 -0.148) 0.152 102.256 ( 14.302 0.000 0.427) 14.308 103.102 ( -12.654 0.000 -1.733) 12.772======================= Grid point 409 (80/90) =======================q-point: ( 0.44 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 15.857 0.000 -0.691) 15.872 2.231 ( -15.669 0.000 0.978) 15.699 2.842 ( 2.376 0.000 3.003) 3.829 2.853 ( 1.436 0.000 3.179) 3.488 3.367 ( 5.355 0.000 2.098) 5.751 3.426 ( 0.057 0.000 2.130) 2.131 4.327 ( 7.707 0.000 -0.859) 7.755 4.391 ( 3.383 0.000 -2.625) 4.282 4.701 ( -7.546 0.000 -2.554) 7.966 4.730 ( -8.494 0.000 -4.573) 9.647 6.603 ( 10.432 0.000 7.972) 13.130 6.796 ( -8.471 0.000 7.213) 11.126 15.212 ( 25.206 0.000 0.832) 25.220 15.698 ( -22.056 0.000 0.197) 22.057 16.188 ( 6.538 0.000 -4.166) 7.752 16.330 ( -7.090 0.000 -3.245) 7.797 17.271 ( 1.596 0.000 3.762) 4.086 17.288 ( 0.249 0.000 3.165) 3.175 17.818 ( 10.183 0.000 -4.365) 11.079 17.932 ( -0.313 0.000 -4.546) 4.556 20.675 ( -5.402 0.000 2.537) 5.968 20.721 ( -10.429 0.000 0.966) 10.474 22.925 ( 1.896 0.000 0.087) 1.898 22.954 ( -0.754 0.000 0.125) 0.764 24.526 ( 5.571 0.000 1.152) 5.689 24.584 ( -0.027 0.000 1.344) 1.344 30.540 ( 1.235 0.000 -0.279) 1.266 30.561 ( -0.926 0.000 -0.193) 0.946 31.809 ( 0.159 0.000 -0.951) 0.964 31.811 ( 0.012 0.000 -0.931) 0.931 34.191 ( 1.452 0.000 0.622) 1.580 34.226 ( -1.987 0.000 -1.659) 2.589 44.647 ( 0.800 0.000 1.988) 2.143 44.651 ( 0.417 0.000 1.908) 1.953 46.795 ( 13.050 0.000 4.719) 13.877 47.035 ( -10.030 0.000 3.125) 10.505 47.900 ( 3.483 0.000 -0.560) 3.527 47.974 ( -3.456 0.000 0.053) 3.457 48.871 ( 17.123 0.000 -1.475) 17.186 49.275 ( -22.619 0.000 -1.087) 22.645 97.627 ( 2.691 0.000 -0.985) 2.865 97.674 ( -1.804 0.000 -1.091) 2.108 98.721 ( 19.737 0.000 1.636) 19.805 99.142 ( -21.559 0.000 2.666) 21.723 101.616 ( 0.260 0.000 -0.122) 0.287 101.620 ( -0.158 0.000 -0.134) 0.207 102.546 ( 14.402 0.000 0.038) 14.402 102.833 ( -13.905 0.000 -0.650) 13.920======================= Grid point 415 (81/90) =======================q-point: ( 0.11 0.11 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( 3.461 3.461 -2.674) 5.577 2.430 ( 0.320 0.320 8.171) 8.184 2.627 ( 8.114 8.114 4.767) 12.426 2.814 ( -3.108 -3.108 -1.853) 4.770 3.030 ( -1.192 -1.192 0.060) 1.687 3.057 ( 7.690 7.690 1.902) 11.040 4.255 ( -2.470 -2.470 -6.297) 7.201 4.330 ( -0.580 -0.580 -7.074) 7.122 5.083 ( -13.262 -13.262 1.266) 18.797 5.571 ( 1.762 1.762 -2.381) 3.447 5.884 ( 6.155 6.155 12.599) 15.313 6.989 ( 0.201 0.201 7.193) 7.198 14.081 ( 8.908 8.908 2.492) 12.842 15.876 ( 2.033 2.033 -6.607) 7.206 16.439 ( -5.170 -5.170 -1.092) 7.393 16.610 ( 0.724 0.724 -0.345) 1.081 16.921 ( 7.460 7.460 -4.185) 11.349 17.005 ( 5.902 5.902 -1.387) 8.461 17.589 ( -2.076 -2.076 2.042) 3.576 17.657 ( 1.008 1.008 1.220) 1.876 21.378 ( -10.563 -10.563 3.484) 15.339 21.997 ( -15.009 -15.009 3.025) 21.440 22.772 ( -0.175 -0.175 -0.036) 0.250 22.876 ( 2.815 2.815 -0.052) 3.981 24.000 ( 2.759 2.759 -0.538) 3.939 24.239 ( 10.608 10.608 0.586) 15.014 30.459 ( 0.846 0.846 -0.528) 1.308 30.608 ( -0.576 -0.576 0.023) 0.815 31.795 ( 0.143 0.143 -1.116) 1.134 31.800 ( 0.334 0.334 -1.221) 1.309 34.151 ( 0.132 0.132 4.998) 5.001 34.334 ( -1.087 -1.087 -6.087) 6.278 44.570 ( 1.140 1.140 1.854) 2.457 44.572 ( 1.218 1.218 1.749) 2.455 46.247 ( 4.073 4.073 7.504) 9.460 47.235 ( 0.226 0.226 -3.530) 3.544 47.863 ( 1.603 1.603 -1.776) 2.880 47.869 ( 2.218 2.218 -0.899) 3.263 48.459 ( -0.039 -0.039 1.866) 1.867 50.513 ( -12.426 -12.426 -0.172) 17.574 97.469 ( 0.233 0.233 -0.145) 0.360 97.576 ( 4.445 4.445 -0.555) 6.311 98.109 ( 1.943 1.943 -0.484) 2.791 100.175 ( -10.264 -10.264 5.736) 15.608 101.602 ( 0.129 0.129 -0.122) 0.219 101.619 ( 0.195 0.195 -0.158) 0.318 101.828 ( 7.547 7.547 0.464) 10.684 103.442 ( -5.383 -5.383 -4.006) 8.603======================= Grid point 416 (82/90) =======================q-point: ( 0.22 0.11 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( 8.668 2.277 -2.290) 9.250 2.483 ( 4.040 -4.999 9.067) 11.114 2.725 ( -4.773 -2.610 -0.424) 5.456 2.786 ( 4.928 4.272 1.584) 6.711 3.024 ( 2.536 -2.274 -0.511) 3.444 3.227 ( 7.927 3.895 3.006) 9.330 4.227 ( -0.332 1.994 -4.108) 4.578 4.308 ( -0.586 -0.036 -6.594) 6.620 4.834 ( -11.134 -13.923 -1.277) 17.874 5.471 ( -8.975 13.579 -0.431) 16.283 6.094 ( 12.320 -2.585 10.547) 16.422 6.972 ( -2.264 -2.534 6.951) 7.737 14.340 ( 16.422 5.785 1.956) 17.521 15.937 ( 3.937 2.361 -5.721) 7.335 16.299 ( -9.086 -7.143 -1.176) 11.617 16.578 ( -3.622 0.190 -1.157) 3.807 17.116 ( 10.549 7.278 -1.924) 12.959 17.166 ( 8.526 7.020 0.362) 11.050 17.541 ( -0.964 -0.183 0.369) 1.049 17.720 ( 5.312 -0.220 -1.149) 5.439 21.112 ( -14.726 -8.521 3.157) 17.304 21.586 ( -23.997 -4.232 2.486) 24.494 22.798 ( 2.190 -2.922 0.004) 3.652 22.926 ( 1.942 1.367 -0.018) 2.375 24.122 ( 8.523 -2.134 -0.134) 8.788 24.442 ( 8.665 7.017 1.128) 11.207 30.482 ( 1.347 0.415 -0.479) 1.488 30.594 ( -0.833 -0.394 -0.034) 0.922 31.800 ( 0.288 0.124 -1.032) 1.079 31.807 ( 0.380 0.389 -1.180) 1.299 34.156 ( 0.382 0.083 4.092) 4.110 34.303 ( -1.837 -0.867 -5.108) 5.497 44.599 ( 1.667 1.135 1.924) 2.787 44.605 ( 1.889 1.022 1.750) 2.770 46.371 ( 8.119 3.977 6.760) 11.289 47.233 ( -0.757 0.198 -0.942) 1.225 47.862 ( 0.003 3.202 -1.597) 3.578 47.963 ( 4.669 -0.230 -1.221) 4.832 48.477 ( 2.556 0.357 0.923) 2.741 50.168 ( -20.888 -9.282 -0.078) 22.858 97.493 ( 1.993 -1.467 -0.267) 2.489 97.660 ( 3.161 2.214 -0.908) 3.965 98.193 ( 7.142 3.623 -0.042) 8.008 99.898 ( -16.471 -7.261 4.723) 18.609 101.606 ( 0.213 0.093 -0.127) 0.265 101.622 ( 0.070 0.054 -0.164) 0.187 102.028 ( 11.648 4.903 0.583) 12.651 103.289 ( -9.477 -4.415 -2.790) 10.821======================= Grid point 417 (83/90) =======================q-point: ( 0.33 0.11 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 13.179 1.005 -1.636) 13.318 2.479 ( -9.060 -3.984 5.955) 11.550 2.652 ( 2.721 -5.791 0.108) 6.399 2.852 ( 0.852 0.708 2.948) 3.149 3.141 ( 8.251 -6.824 0.181) 10.709 3.361 ( 5.120 0.851 2.564) 5.789 4.200 ( -2.003 -0.323 -4.350) 4.799 4.347 ( 2.183 -1.043 -2.319) 3.351 4.664 ( -3.589 -5.343 -4.368) 7.779 5.259 ( -11.591 15.967 -0.023) 19.731 6.338 ( 11.568 -3.844 9.133) 15.232 6.891 ( -5.730 -4.327 7.060) 10.070 14.727 ( 21.483 1.644 1.238) 21.581 15.983 ( -6.936 -1.628 -2.105) 7.429 16.105 ( -2.879 -3.569 -3.591) 5.824 16.477 ( -6.072 0.642 -2.245) 6.505 17.260 ( 2.906 3.570 3.228) 5.622 17.292 ( 3.366 4.167 2.531) 5.925 17.636 ( 10.861 4.190 -3.706) 12.217 17.867 ( 8.240 2.104 -3.949) 9.376 20.825 ( -12.700 -5.463 2.774) 14.101 21.098 ( -22.655 0.867 1.899) 22.751 22.848 ( 2.625 -3.073 0.051) 4.042 22.949 ( 0.308 -0.326 0.061) 0.452 24.311 ( 9.559 -4.085 0.485) 10.407 24.568 ( 3.486 2.719 1.357) 4.625 30.511 ( 1.405 -0.033 -0.411) 1.464 30.576 ( -0.859 -0.272 -0.127) 0.910 31.806 ( 0.321 0.180 -0.971) 1.038 31.813 ( 0.206 0.410 -1.089) 1.182 34.167 ( 0.814 -0.001 2.588) 2.713 34.263 ( -2.085 -0.591 -3.545) 4.155 44.633 ( 1.549 1.019 1.971) 2.706 44.641 ( 1.504 0.929 1.788) 2.515 46.570 ( 11.403 3.217 5.864) 13.220 47.185 ( -4.494 0.149 1.658) 4.792 47.874 ( 1.399 2.618 -1.435) 3.297 48.018 ( 0.384 0.368 -0.318) 0.620 48.595 ( 9.709 0.170 -0.752) 9.739 49.710 ( -23.588 -5.513 -0.424) 24.228 97.544 ( 2.841 -2.209 -0.534) 3.639 97.687 ( -0.359 -0.418 -1.067) 1.201 98.409 ( 14.012 3.897 0.619) 14.557 99.532 ( -19.408 -4.190 3.583) 20.176 101.611 ( 0.266 0.036 -0.130) 0.298 101.622 ( -0.046 0.020 -0.159) 0.166 102.280 ( 13.125 2.417 0.459) 13.354 103.071 ( -11.900 -3.065 -1.499) 12.379======================= Grid point 418 (84/90) =======================q-point: ( 0.44 0.11 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 15.346 -0.098 -0.566) 15.357 2.217 ( -14.935 -1.316 1.152) 15.037 2.745 ( 4.825 -6.972 2.744) 8.911 2.827 ( -2.995 -4.572 3.077) 6.272 3.314 ( 7.747 -5.761 1.641) 9.793 3.410 ( -1.030 -1.735 2.485) 3.201 4.193 ( 2.151 -6.418 -4.578) 8.171 4.288 ( -6.152 -10.772 -2.865) 12.732 4.762 ( 10.950 12.286 -2.913) 16.714 5.012 ( -12.767 15.732 -0.852) 20.278 6.558 ( 10.164 -4.404 8.207) 13.786 6.746 ( -8.411 -4.758 7.506) 12.236 15.185 ( 23.334 -2.360 0.501) 23.459 15.642 ( -21.219 -5.183 -0.150) 21.843 16.200 ( 6.882 1.237 -4.099) 8.105 16.343 ( -7.068 1.099 -3.170) 7.823 17.291 ( 1.200 1.264 3.964) 4.330 17.313 ( -0.597 1.635 3.547) 3.951 17.877 ( 10.265 6.253 -4.411) 12.803 17.978 ( 0.965 4.867 -4.567) 6.743 20.650 ( -3.198 -1.906 2.227) 4.338 20.736 ( -11.856 0.924 1.742) 12.019 22.899 ( 2.358 -2.465 0.090) 3.412 22.938 ( -1.353 -1.591 0.100) 2.091 24.483 ( 7.013 -3.475 1.004) 7.891 24.579 ( -2.251 -1.007 1.306) 2.791 30.537 ( 1.190 -0.265 -0.330) 1.263 30.558 ( -0.951 -0.277 -0.234) 1.018 31.812 ( 0.240 0.284 -0.955) 1.024 31.815 ( -0.047 0.375 -0.999) 1.068 34.189 ( 1.370 -0.135 0.614) 1.507 34.222 ( -1.870 -0.334 -1.546) 2.449 44.657 ( 0.765 0.929 1.946) 2.288 44.661 ( 0.418 0.897 1.869) 2.115 46.815 ( 12.314 1.832 4.873) 13.369 47.042 ( -9.591 0.590 3.572) 10.252 47.921 ( 3.133 2.128 -0.782) 3.867 47.987 ( -2.940 1.410 -0.137) 3.264 48.864 ( 16.527 -0.729 -1.459) 16.607 49.249 ( -21.401 -2.476 -1.093) 21.571 97.603 ( 2.946 -2.192 -0.805) 3.759 97.658 ( -2.308 -1.669 -0.999) 3.019 98.740 ( 18.326 1.816 1.451) 18.472 99.131 ( -19.989 -1.131 2.462) 20.172 101.616 ( 0.251 -0.001 -0.136) 0.285 101.620 ( -0.165 -0.002 -0.147) 0.221 102.549 ( 13.419 0.324 0.109) 13.423 102.817 ( -13.049 -1.479 -0.515) 13.142======================= Grid point 425 (85/90) =======================q-point: ( 0.22 0.22 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 6.599 6.599 -1.630) 9.474 2.420 ( -1.371 -1.371 11.245) 11.411 2.632 ( -5.126 -5.126 -4.401) 8.481 2.845 ( -0.260 -0.260 3.148) 3.169 2.982 ( -1.385 -1.385 -2.519) 3.191 3.308 ( 4.305 4.305 2.932) 6.757 4.267 ( -1.563 -1.563 -0.135) 2.214 4.282 ( -1.816 -1.816 -6.081) 6.600 4.646 ( -1.901 -1.901 -4.751) 5.459 5.645 ( 1.602 1.602 -2.446) 3.334 6.085 ( 3.710 3.710 12.572) 13.623 6.895 ( -5.066 -5.066 7.387) 10.290 14.512 ( 11.214 11.214 1.316) 15.914 16.006 ( 4.273 4.273 -5.282) 8.026 16.118 ( -10.764 -10.764 -1.322) 15.280 16.552 ( -2.669 -2.669 -1.540) 4.077 17.276 ( 5.707 5.707 2.157) 8.355 17.307 ( 5.114 5.114 2.410) 7.624 17.572 ( 5.805 5.805 -3.004) 8.741 17.774 ( 6.808 6.808 -3.387) 10.207 20.906 ( -10.986 -10.986 2.753) 15.779 21.408 ( -13.490 -13.490 3.012) 19.315 22.759 ( -0.462 -0.462 -0.053) 0.655 22.942 ( 0.130 0.130 -0.022) 0.185 24.137 ( 3.652 3.652 -0.178) 5.168 24.560 ( 4.055 4.055 1.367) 5.895 30.494 ( 0.725 0.725 -0.502) 1.142 30.583 ( -0.642 -0.642 -0.100) 0.913 31.804 ( 0.332 0.332 -0.972) 1.080 31.816 ( 0.425 0.425 -1.223) 1.363 34.159 ( 0.283 0.283 3.378) 3.401 34.279 ( -1.479 -1.479 -4.263) 4.749 44.628 ( 1.598 1.598 1.935) 2.975 44.633 ( 1.676 1.676 1.713) 2.925 46.486 ( 7.316 7.316 6.297) 12.112 47.229 ( -0.940 -0.940 1.288) 1.851 47.918 ( 1.140 1.140 -2.230) 2.752 47.986 ( 3.361 3.361 -0.871) 4.832 48.500 ( 2.530 2.530 0.199) 3.583 49.908 ( -15.929 -15.929 -0.180) 22.528 97.479 ( 0.208 0.208 -0.143) 0.327 97.685 ( 0.028 0.028 -1.074) 1.075 98.312 ( 8.169 8.169 0.103) 11.553 99.695 ( -12.458 -12.458 3.955) 18.057 101.608 ( 0.137 0.137 -0.148) 0.244 101.623 ( 0.018 0.018 -0.176) 0.177 102.164 ( 8.282 8.282 0.606) 11.728 103.164 ( -7.799 -7.799 -1.897) 11.192======================= Grid point 426 (86/90) =======================q-point: ( 0.33 0.22 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 11.151 3.679 -0.894) 11.776 2.380 ( -5.273 -5.176 8.466) 11.237 2.548 ( -1.336 -4.563 -1.839) 5.098 2.784 ( -4.779 -6.857 2.677) 8.777 3.001 ( 3.999 -6.300 -3.218) 8.126 3.379 ( 1.485 0.120 2.946) 3.301 4.145 ( -6.502 -7.467 -2.909) 10.319 4.236 ( -3.731 -3.312 -5.227) 7.226 4.774 ( 11.739 11.806 -2.717) 16.869 5.547 ( -9.350 11.786 -0.718) 15.062 6.238 ( 9.677 -5.394 10.484) 15.253 6.771 ( -7.063 -7.236 7.806) 12.774 14.786 ( 15.736 4.457 0.540) 16.364 15.853 ( -15.196 -9.931 -1.181) 18.192 16.113 ( 5.859 3.241 -4.651) 8.153 16.476 ( -4.698 -0.781 -2.349) 5.310 17.301 ( -1.011 -0.142 4.099) 4.225 17.348 ( -0.456 0.497 3.504) 3.569 17.808 ( 14.921 12.791 -4.222) 20.101 17.974 ( 11.000 8.805 -4.309) 14.735 20.702 ( -8.380 -6.167 2.513) 10.704 21.074 ( -18.094 -3.805 2.954) 18.724 22.779 ( 2.126 -3.224 -0.005) 3.862 22.929 ( -1.338 -1.686 0.022) 2.153 24.253 ( 7.287 -1.208 0.199) 7.389 24.595 ( -0.647 -0.285 1.360) 1.533 30.511 ( 0.927 0.076 -0.501) 1.057 30.568 ( -0.804 -0.528 -0.212) 0.985 31.812 ( 0.412 0.412 -0.971) 1.133 31.823 ( 0.225 0.471 -1.195) 1.304 34.168 ( 0.651 0.105 2.174) 2.272 34.246 ( -1.698 -1.012 -2.920) 3.526 44.659 ( 1.434 1.520 1.910) 2.831 44.666 ( 1.407 1.479 1.721) 2.670 46.659 ( 9.561 5.337 5.740) 12.363 47.179 ( -4.361 -1.047 3.356) 5.601 47.937 ( 1.506 3.159 -1.838) 3.953 48.048 ( 1.543 2.925 -0.623) 3.365 48.606 ( 8.463 1.132 -0.950) 8.591 49.552 ( -18.730 -9.908 -0.568) 21.197 97.501 ( 1.883 -1.657 -0.240) 2.519 97.663 ( -2.067 -2.021 -0.965) 3.048 98.518 ( 12.047 6.689 0.430) 13.786 99.412 ( -15.164 -7.436 2.969) 17.148 101.611 ( 0.189 0.032 -0.159) 0.249 101.622 ( -0.083 -0.031 -0.180) 0.201 102.350 ( 10.015 4.450 0.519) 10.971 102.984 ( -9.784 -5.380 -0.930) 11.204======================= Grid point 427 (87/90) =======================q-point: ( 0.44 0.22 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 13.522 0.907 -0.075) 13.552 2.183 ( -12.643 -1.844 1.687) 12.887 2.589 ( 3.988 -8.048 2.985) 9.465 2.682 ( -5.043 -9.085 2.701) 10.737 3.142 ( 9.219 -10.312 -1.140) 13.879 3.323 ( -7.076 -7.666 2.014) 10.626 4.084 ( 0.830 -4.317 -5.114) 6.743 4.148 ( -4.501 -2.177 -5.307) 7.291 5.043 ( 14.004 14.397 -0.614) 20.094 5.317 ( -12.864 14.174 0.031) 19.141 6.434 ( 9.428 -7.539 8.989) 15.051 6.614 ( -8.397 -7.989 8.258) 14.231 15.135 ( 18.432 -2.138 -0.176) 18.556 15.511 ( -18.306 -7.288 -0.759) 19.718 16.239 ( 6.468 2.560 -3.956) 8.002 16.367 ( -6.040 1.151 -3.174) 6.920 17.293 ( 0.521 -1.355 3.818) 4.085 17.319 ( -1.802 -1.314 3.615) 4.248 18.072 ( 9.333 12.442 -3.754) 16.000 18.135 ( 3.313 10.323 -3.947) 11.538 20.611 ( 0.502 -1.741 2.462) 3.056 20.747 ( -12.660 0.003 2.653) 12.936 22.833 ( 2.947 -3.874 0.055) 4.867 22.890 ( -2.521 -3.143 0.060) 4.029 24.408 ( 7.487 -3.623 0.707) 8.347 24.537 ( -4.931 -3.148 1.126) 5.958 30.531 ( 1.013 -0.339 -0.449) 1.158 30.551 ( -0.951 -0.488 -0.343) 1.123 31.820 ( 0.323 0.481 -1.025) 1.178 31.824 ( -0.078 0.499 -1.114) 1.223 34.186 ( 1.123 -0.170 0.568) 1.270 34.213 ( -1.535 -0.551 -1.226) 2.041 44.682 ( 0.698 1.438 1.851) 2.445 44.685 ( 0.412 1.413 1.776) 2.306 46.860 ( 10.102 2.474 5.191) 11.624 47.050 ( -8.247 -0.022 4.538) 9.414 47.984 ( 2.928 3.980 -1.140) 5.071 48.039 ( -2.077 3.887 -0.567) 4.443 48.842 ( 14.576 -1.334 -1.448) 14.708 49.176 ( -18.028 -4.796 -1.129) 18.689 97.550 ( 2.842 -2.741 -0.469) 3.976 97.610 ( -2.954 -2.859 -0.734) 4.176 98.789 ( 14.593 2.875 1.066) 14.912 99.097 ( -15.734 -2.129 1.956) 15.997 101.615 ( 0.219 -0.049 -0.167) 0.279 101.620 ( -0.182 -0.065 -0.176) 0.261 102.561 ( 10.674 0.816 0.275) 10.708 102.776 ( -10.620 -2.473 -0.187) 10.905======================= Grid point 435 (88/90) =======================q-point: ( 0.33 0.33 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 7.471 7.471 0.117) 10.566 2.282 ( -4.777 -4.777 7.054) 9.768 2.468 ( -3.214 -3.214 -0.160) 4.548 2.619 ( -8.342 -8.342 2.403) 12.040 2.911 ( -1.976 -1.976 -5.419) 6.097 3.313 ( -7.349 -7.349 2.198) 10.623 4.028 ( -1.886 -1.886 -5.042) 5.704 4.194 ( -2.293 -2.293 -5.036) 5.989 5.044 ( 14.125 14.125 -0.520) 19.983 5.685 ( 0.372 0.372 -2.357) 2.415 6.174 ( 0.779 0.779 12.437) 12.486 6.611 ( -8.420 -8.420 8.547) 14.658 14.913 ( 8.177 8.177 -0.191) 11.566 15.624 ( -12.427 -12.427 -1.325) 17.624 16.198 ( 4.811 4.811 -4.269) 8.032 16.446 ( -2.243 -2.243 -2.805) 4.234 17.272 ( -1.969 -1.969 3.737) 4.660 17.321 ( -2.500 -2.500 3.376) 4.889 18.102 ( 14.637 14.637 -3.277) 20.958 18.188 ( 10.959 10.959 -3.587) 15.909 20.598 ( -3.497 -3.497 2.635) 5.603 20.937 ( -9.441 -9.441 3.473) 13.795 22.738 ( -0.561 -0.561 -0.062) 0.796 22.882 ( -2.924 -2.924 0.019) 4.135 24.269 ( 2.658 2.658 0.190) 3.764 24.555 ( -3.556 -3.556 1.167) 5.162 30.515 ( 0.349 0.349 -0.570) 0.754 30.555 ( -0.730 -0.730 -0.346) 1.089 31.821 ( 0.469 0.469 -1.037) 1.231 31.831 ( 0.288 0.288 -1.246) 1.311 34.173 ( 0.363 0.363 1.449) 1.537 34.224 ( -1.160 -1.160 -1.946) 2.546 44.690 ( 1.363 1.363 1.831) 2.658 44.695 ( 1.293 1.293 1.675) 2.479 46.778 ( 6.319 6.319 5.568) 10.529 47.133 ( -3.627 -3.627 4.729) 6.976 48.001 ( 3.480 3.480 -1.617) 5.180 48.118 ( 2.916 2.916 -0.854) 4.211 48.660 ( 4.903 4.903 -1.330) 7.061 49.322 ( -12.539 -12.539 -0.858) 17.753 97.484 ( 0.035 0.035 -0.135) 0.143 97.611 ( -2.974 -2.974 -0.707) 4.265 98.671 ( 8.375 8.375 0.441) 11.853 99.241 ( -9.284 -9.284 2.167) 13.307 101.612 ( 0.063 0.063 -0.180) 0.200 101.621 ( -0.128 -0.128 -0.196) 0.266 102.456 ( 5.871 5.871 0.533) 8.320 102.861 ( -6.637 -6.637 -0.306) 9.392======================= Grid point 436 (89/90) =======================q-point: ( 0.44 0.33 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 446Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 10.081 3.213 0.780) 10.609 2.152 ( -8.744 -1.117 2.183) 9.081 2.435 ( 0.444 -6.860 4.055) 7.981 2.486 ( -4.516 -9.690 3.394) 11.216 2.945 ( 5.503 -8.195 -5.166) 11.141 3.116 ( -10.524 -11.467 -1.626) 15.649 4.056 ( 3.452 0.933 -4.860) 6.034 4.133 ( -3.692 -0.237 -4.715) 5.993 5.325 ( 13.416 13.313 0.205) 18.901 5.569 ( -10.158 10.243 -0.640) 14.440 6.272 ( 7.510 -7.767 10.713) 15.215 6.438 ( -8.554 -9.107 9.311) 15.582 15.113 ( 11.463 0.217 -0.770) 11.491 15.364 ( -13.010 -7.017 -1.159) 14.827 16.297 ( 4.827 3.007 -3.857) 6.872 16.385 ( -3.778 0.558 -3.357) 5.085 17.247 ( -0.095 -2.623 3.439) 4.327 17.270 ( -2.136 -3.060 3.292) 4.976 18.334 ( 6.995 12.161 -2.763) 14.299 18.357 ( 4.490 10.545 -2.931) 11.830 20.590 ( 3.270 -0.144 2.980) 4.427 20.730 ( -9.844 -1.829 3.376) 10.566 22.757 ( 2.265 -3.203 -0.021) 3.923 22.817 ( -3.354 -3.846 0.018) 5.103 24.351 ( 5.136 -1.766 0.450) 5.450 24.461 ( -5.419 -4.062 0.827) 6.823 30.525 ( 0.645 -0.177 -0.567) 0.877 30.540 ( -0.791 -0.546 -0.482) 1.076 31.830 ( 0.320 0.453 -1.138) 1.266 31.833 ( -0.027 0.378 -1.222) 1.280 34.184 ( 0.717 -0.054 0.431) 0.839 34.201 ( -1.032 -0.581 -0.763) 1.409 44.711 ( 0.647 1.307 1.748) 2.277 44.713 ( 0.407 1.266 1.688) 2.149 46.909 ( 6.561 2.274 5.433) 8.817 47.036 ( -5.799 -1.386 5.277) 7.962 48.077 ( 3.768 5.075 -1.165) 6.427 48.135 ( -1.397 4.925 -0.860) 5.191 48.817 ( 10.452 -0.774 -1.506) 10.588 49.060 ( -13.000 -6.476 -1.240) 14.577 97.503 ( 1.741 -1.784 -0.215) 2.502 97.550 ( -2.838 -2.880 -0.428) 4.066 98.852 ( 9.400 3.257 0.769) 9.978 99.047 ( -9.814 -2.849 1.380) 10.312 101.614 ( 0.141 -0.068 -0.191) 0.247 101.618 ( -0.180 -0.136 -0.198) 0.300 102.583 ( 6.693 1.456 0.437) 6.863 102.722 ( -6.984 -2.800 0.169) 7.526======================= Grid point 445 (90/90) =======================q-point: ( 0.44 0.44 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 5.307 5.307 1.168) 7.596 2.129 ( -2.167 -2.167 1.186) 3.286 2.325 ( -3.706 -3.706 5.757) 7.785 2.326 ( -4.756 -4.756 6.024) 9.029 2.846 ( -0.943 -0.943 -7.565) 7.682 2.915 ( -7.422 -7.422 -5.908) 12.044 4.090 ( 1.949 1.949 -4.338) 5.140 4.122 ( -1.033 -1.033 -4.316) 4.556 5.567 ( 10.129 10.129 -0.528) 14.334 5.687 ( -0.104 -0.104 -2.236) 2.241 6.173 ( -0.341 -0.341 12.833) 12.842 6.263 ( -7.695 -7.695 10.989) 15.466 15.147 ( 3.127 3.127 -1.137) 4.566 15.236 ( -5.514 -5.514 -1.272) 7.901 16.352 ( 2.303 2.303 -3.776) 4.986 16.384 ( -0.777 -0.777 -3.606) 3.770 17.207 ( -0.952 -0.952 3.247) 3.515 17.216 ( -1.807 -1.807 3.181) 4.080 18.515 ( 4.937 4.937 -2.218) 7.325 18.518 ( 4.499 4.499 -2.284) 6.761 20.612 ( 2.378 2.378 3.465) 4.829 20.675 ( -3.346 -3.346 3.661) 5.983 22.719 ( -0.270 -0.270 -0.063) 0.387 22.747 ( -2.747 -2.747 -0.031) 3.885 24.342 ( 0.922 0.922 0.377) 1.357 24.385 ( -3.187 -3.187 0.529) 4.538 30.524 ( 0.124 0.124 -0.623) 0.647 30.530 ( -0.409 -0.409 -0.591) 0.826 31.837 ( 0.229 0.229 -1.237) 1.278 31.838 ( 0.092 0.092 -1.271) 1.278 34.185 ( 0.180 0.180 0.155) 0.298 34.191 ( -0.431 -0.431 -0.265) 0.664 44.730 ( 0.571 0.571 1.674) 1.858 44.732 ( 0.466 0.466 1.651) 1.777 46.953 ( 2.209 2.209 5.539) 6.359 46.998 ( -2.166 -2.166 5.534) 6.326 48.173 ( 3.782 3.782 -0.970) 5.436 48.204 ( 1.141 1.141 -0.854) 1.826 48.832 ( 2.695 2.695 -1.573) 4.124 48.927 ( -6.241 -6.241 -1.437) 8.942 97.484 ( -0.025 -0.025 -0.127) 0.131 97.502 ( -1.760 -1.760 -0.205) 2.497 98.918 ( 3.331 3.331 0.712) 4.764 98.985 ( -3.225 -3.225 0.929) 4.654 101.613 ( 0.010 0.010 -0.202) 0.203 101.615 ( -0.117 -0.117 -0.205) 0.264 102.619 ( 2.098 2.098 0.502) 3.009 102.667 ( -2.600 -2.600 0.416) 3.700=================== 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 3/42768 10.0 4.789 4.789 7.545 -0.000 0.000 0.000 3/42768 20.0 2.664 2.664 3.730 0.000 -0.000 0.000 3/42768 30.0 1.839 1.839 2.698 0.000 0.000 0.000 3/42768 40.0 1.380 1.380 2.169 0.000 0.000 0.000 3/42768 50.0 1.103 1.103 1.853 0.000 0.000 0.000 3/42768 60.0 0.924 0.924 1.638 0.000 0.000 0.000 3/42768 70.0 0.800 0.800 1.476 0.000 0.000 0.000 3/42768 80.0 0.710 0.710 1.347 0.000 0.000 0.000 3/42768 90.0 0.642 0.642 1.241 0.000 0.000 0.000 3/42768 100.0 0.588 0.588 1.152 0.000 0.000 0.000 3/42768 110.0 0.545 0.545 1.076 0.000 0.000 0.000 3/42768 120.0 0.510 0.510 1.010 0.000 0.000 0.000 3/42768 130.0 0.480 0.480 0.953 0.000 0.000 0.000 3/42768 140.0 0.455 0.455 0.902 0.000 0.000 0.000 3/42768 150.0 0.433 0.433 0.858 0.000 0.000 0.000 3/42768 160.0 0.414 0.414 0.818 0.000 0.000 0.000 3/42768 170.0 0.396 0.396 0.783 0.000 0.000 0.000 3/42768 180.0 0.381 0.381 0.750 0.000 0.000 0.000 3/42768 190.0 0.367 0.367 0.721 0.000 0.000 0.000 3/42768 200.0 0.354 0.354 0.694 0.000 0.000 0.000 3/42768 210.0 0.342 0.342 0.669 0.000 0.000 0.000 3/42768 220.0 0.331 0.331 0.646 0.000 0.000 0.000 3/42768 230.0 0.321 0.321 0.625 0.000 0.000 0.000 3/42768 240.0 0.312 0.312 0.606 0.000 0.000 0.000 3/42768 250.0 0.303 0.303 0.587 0.000 0.000 0.000 3/42768 260.0 0.295 0.295 0.570 0.000 0.000 0.000 3/42768 270.0 0.287 0.287 0.554 0.000 0.000 0.000 3/42768 280.0 0.280 0.280 0.540 0.000 0.000 0.000 3/42768 290.0 0.274 0.274 0.526 0.000 0.000 0.000 3/42768 300.0 0.268 0.268 0.513 0.000 0.000 0.000 3/42768 310.0 0.262 0.262 0.500 0.000 0.000 0.000 3/42768 320.0 0.257 0.257 0.489 0.000 0.000 0.000 3/42768 330.0 0.252 0.252 0.478 0.000 0.000 0.000 3/42768 340.0 0.247 0.247 0.468 0.000 0.000 0.000 3/42768 350.0 0.242 0.242 0.458 0.000 0.000 0.000 3/42768 360.0 0.238 0.238 0.449 0.000 0.000 0.000 3/42768 370.0 0.234 0.234 0.441 0.000 0.000 0.000 3/42768 380.0 0.231 0.231 0.433 0.000 0.000 0.000 3/42768 390.0 0.227 0.227 0.425 0.000 0.000 0.000 3/42768 400.0 0.224 0.224 0.418 0.000 0.000 0.000 3/42768 410.0 0.221 0.221 0.411 0.000 0.000 0.000 3/42768 420.0 0.218 0.218 0.405 0.000 0.000 0.000 3/42768 430.0 0.215 0.215 0.398 0.000 0.000 0.000 3/42768 440.0 0.212 0.212 0.392 0.000 0.000 0.000 3/42768 450.0 0.210 0.210 0.387 0.000 0.000 0.000 3/42768 460.0 0.207 0.207 0.381 0.000 0.000 0.000 3/42768 470.0 0.205 0.205 0.376 0.000 0.000 0.000 3/42768 480.0 0.203 0.203 0.371 0.000 0.000 0.000 3/42768 490.0 0.200 0.200 0.366 0.000 0.000 0.000 3/42768 500.0 0.198 0.198 0.361 0.000 0.000 0.000 3/42768 510.0 0.196 0.196 0.357 0.000 0.000 0.000 3/42768 520.0 0.194 0.194 0.352 0.000 0.000 0.000 3/42768 530.0 0.192 0.192 0.348 0.000 0.000 0.000 3/42768 540.0 0.190 0.190 0.344 0.000 0.000 0.000 3/42768 550.0 0.188 0.188 0.340 0.000 0.000 0.000 3/42768 560.0 0.186 0.186 0.336 0.000 0.000 0.000 3/42768 570.0 0.185 0.185 0.332 0.000 0.000 0.000 3/42768 580.0 0.183 0.183 0.328 0.000 0.000 0.000 3/42768 590.0 0.181 0.181 0.325 0.000 0.000 0.000 3/42768 600.0 0.179 0.179 0.321 0.000 0.000 0.000 3/42768 610.0 0.178 0.178 0.318 0.000 0.000 0.000 3/42768 620.0 0.176 0.176 0.314 0.000 0.000 0.000 3/42768 630.0 0.174 0.174 0.311 0.000 0.000 0.000 3/42768 640.0 0.173 0.173 0.308 0.000 0.000 0.000 3/42768 650.0 0.171 0.171 0.305 0.000 0.000 0.000 3/42768 660.0 0.170 0.170 0.302 0.000 0.000 0.000 3/42768 670.0 0.168 0.168 0.299 0.000 0.000 0.000 3/42768 680.0 0.167 0.167 0.296 0.000 0.000 0.000 3/42768 690.0 0.165 0.165 0.293 0.000 0.000 0.000 3/42768 700.0 0.164 0.164 0.290 0.000 0.000 0.000 3/42768 710.0 0.162 0.162 0.287 0.000 0.000 0.000 3/42768 720.0 0.161 0.161 0.284 0.000 0.000 0.000 3/42768 730.0 0.159 0.159 0.282 0.000 0.000 0.000 3/42768 740.0 0.158 0.158 0.279 0.000 0.000 0.000 3/42768 750.0 0.156 0.156 0.276 0.000 0.000 0.000 3/42768 760.0 0.155 0.155 0.274 0.000 0.000 0.000 3/42768 770.0 0.154 0.154 0.271 0.000 0.000 0.000 3/42768 780.0 0.152 0.152 0.269 0.000 0.000 0.000 3/42768 790.0 0.151 0.151 0.266 0.000 0.000 0.000 3/42768 800.0 0.150 0.150 0.264 0.000 0.000 0.000 3/42768 810.0 0.149 0.149 0.262 0.000 0.000 0.000 3/42768 820.0 0.147 0.147 0.259 0.000 0.000 0.000 3/42768 830.0 0.146 0.146 0.257 0.000 0.000 0.000 3/42768 840.0 0.145 0.145 0.255 0.000 0.000 0.000 3/42768 850.0 0.144 0.144 0.253 0.000 0.000 0.000 3/42768 860.0 0.142 0.142 0.250 0.000 0.000 0.000 3/42768 870.0 0.141 0.141 0.248 0.000 0.000 0.000 3/42768 880.0 0.140 0.140 0.246 0.000 0.000 0.000 3/42768 890.0 0.139 0.139 0.244 0.000 0.000 0.000 3/42768 900.0 0.138 0.138 0.242 0.000 0.000 0.000 3/42768 910.0 0.137 0.137 0.240 0.000 0.000 0.000 3/42768 920.0 0.136 0.136 0.238 0.000 0.000 0.000 3/42768 930.0 0.135 0.135 0.236 0.000 0.000 0.000 3/42768 940.0 0.134 0.134 0.234 0.000 0.000 0.000 3/42768 950.0 0.132 0.132 0.232 0.000 0.000 0.000 3/42768 960.0 0.131 0.131 0.231 0.000 0.000 0.000 3/42768 970.0 0.130 0.130 0.229 0.000 0.000 0.000 3/42768 980.0 0.129 0.129 0.227 0.000 0.000 0.000 3/42768 990.0 0.128 0.128 0.225 0.000 0.000 0.000 3/42768 1000.0 0.127 0.127 0.223 0.000 0.000 0.000 3/42768Thermal conductivity related properties were written into "kappa-m9911.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:38:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | 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