# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/738d5cb0-537c-4fb9-b143-8a84a1efdb1d/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 NdSBr / P2_1/c (14) / materials id 27180](https://mdr.nims.go.jp/datasets/c84e6533-b291-46b5-892d-42f73baf9832) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 06:04:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 3] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 6.927568480061077 0.000000000000000 0.000000000000000 b 0.000000000000000 7.017483310000000 0.000000000000000 c -1.186353619481405 0.000000000000000 6.799097461754011Atomic positions (fractional): *1 S 0.44425085447917 0.24103758081613 0.99117416870329 32.065 2 S 0.44425085447917 0.25896241918388 0.49117416870329 32.065 3 S 0.55574914552083 0.75896241918387 0.00882583129671 32.065 4 S 0.55574914552083 0.74103758081613 0.50882583129671 32.065 *5 Br 0.91686533428649 0.37985751673563 0.20551380723365 79.904 6 Br 0.91686533428649 0.12014248326437 0.70551380723365 79.904 7 Br 0.08313466571351 0.62014248326437 0.79448619276635 79.904 8 Br 0.08313466571351 0.87985751673563 0.29448619276635 79.904 *9 Nd 0.31902756065554 0.96320739135284 0.70994047413541 144.242 10 Nd 0.68097243934446 0.46320739135284 0.79005952586459 144.242 11 Nd 0.68097243934446 0.03679260864716 0.29005952586459 144.242 12 Nd 0.31902756065554 0.53679260864716 0.20994047413541 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.927568480061077 0.000000000000000 0.000000000000000 b 0.000000000000000 7.017483310000000 0.000000000000000 c -1.186353619481405 0.000000000000000 6.799097461754011Atomic positions (fractional): *1 S 0.44425085447917 0.24103758081613 0.99117416870329 32.065 > 1 2 S 0.44425085447917 0.25896241918388 0.49117416870329 32.065 > 2 3 S 0.55574914552083 0.75896241918387 0.00882583129671 32.065 > 3 4 S 0.55574914552083 0.74103758081613 0.50882583129671 32.065 > 4 *5 Br 0.91686533428649 0.37985751673563 0.20551380723365 79.904 > 5 6 Br 0.91686533428649 0.12014248326437 0.70551380723365 79.904 > 6 7 Br 0.08313466571351 0.62014248326437 0.79448619276635 79.904 > 7 8 Br 0.08313466571351 0.87985751673563 0.29448619276635 79.904 > 8 *9 Nd 0.31902756065554 0.96320739135284 0.70994047413541 144.242 > 9 10 Nd 0.68097243934446 0.46320739135284 0.79005952586459 144.242 > 10 11 Nd 0.68097243934446 0.03679260864716 0.29005952586459 144.242 > 11 12 Nd 0.31902756065554 0.53679260864716 0.20994047413541 144.242 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 13.855136960122154 0.000000000000000 0.000000000000000 b 0.000000000000000 14.034966620000001 0.000000000000000 c -3.559060858444215 0.000000000000000 20.397292385262034Atomic positions (fractional): *1 S 0.22212542723959 0.12051879040806 0.33039138956776 32.065 > 1 2 S 0.72212542723959 0.12051879040806 0.33039138956776 32.065 > 1 3 S 0.22212542723959 0.62051879040806 0.33039138956776 32.065 > 1 4 S 0.72212542723959 0.62051879040806 0.33039138956776 32.065 > 1 5 S 0.22212542723959 0.12051879040806 0.66372472290110 32.065 > 1 6 S 0.72212542723959 0.12051879040806 0.66372472290110 32.065 > 1 7 S 0.22212542723959 0.62051879040806 0.66372472290110 32.065 > 1 8 S 0.72212542723959 0.62051879040806 0.66372472290110 32.065 > 1 9 S 0.22212542723959 0.12051879040806 0.99705805623443 32.065 > 1 10 S 0.72212542723959 0.12051879040806 0.99705805623443 32.065 > 1 11 S 0.22212542723959 0.62051879040806 0.99705805623443 32.065 > 1 12 S 0.72212542723959 0.62051879040806 0.99705805623443 32.065 > 1 13 S 0.22212542723959 0.12948120959194 0.16372472290110 32.065 > 2 14 S 0.72212542723959 0.12948120959194 0.16372472290110 32.065 > 2 15 S 0.22212542723959 0.62948120959194 0.16372472290110 32.065 > 2 16 S 0.72212542723959 0.62948120959194 0.16372472290110 32.065 > 2 17 S 0.22212542723959 0.12948120959194 0.49705805623443 32.065 > 2 18 S 0.72212542723959 0.12948120959194 0.49705805623443 32.065 > 2 19 S 0.22212542723959 0.62948120959194 0.49705805623443 32.065 > 2 20 S 0.72212542723959 0.62948120959194 0.49705805623443 32.065 > 2 21 S 0.22212542723959 0.12948120959194 0.83039138956776 32.065 > 2 22 S 0.72212542723959 0.12948120959194 0.83039138956776 32.065 > 2 23 S 0.22212542723959 0.62948120959194 0.83039138956776 32.065 > 2 24 S 0.72212542723959 0.62948120959194 0.83039138956776 32.065 > 2 25 S 0.27787457276041 0.37948120959194 0.00294194376557 32.065 > 3 26 S 0.77787457276041 0.37948120959194 0.00294194376557 32.065 > 3 27 S 0.27787457276041 0.87948120959194 0.00294194376557 32.065 > 3 28 S 0.77787457276041 0.87948120959194 0.00294194376557 32.065 > 3 29 S 0.27787457276041 0.37948120959194 0.33627527709890 32.065 > 3 30 S 0.77787457276041 0.37948120959194 0.33627527709890 32.065 > 3 31 S 0.27787457276041 0.87948120959194 0.33627527709890 32.065 > 3 32 S 0.77787457276041 0.87948120959194 0.33627527709890 32.065 > 3 33 S 0.27787457276041 0.37948120959194 0.66960861043224 32.065 > 3 34 S 0.77787457276041 0.37948120959194 0.66960861043224 32.065 > 3 35 S 0.27787457276041 0.87948120959194 0.66960861043224 32.065 > 3 36 S 0.77787457276041 0.87948120959194 0.66960861043224 32.065 > 3 37 S 0.27787457276041 0.37051879040806 0.16960861043224 32.065 > 4 38 S 0.77787457276041 0.37051879040806 0.16960861043224 32.065 > 4 39 S 0.27787457276041 0.87051879040806 0.16960861043224 32.065 > 4 40 S 0.77787457276041 0.87051879040806 0.16960861043224 32.065 > 4 41 S 0.27787457276041 0.37051879040806 0.50294194376557 32.065 > 4 42 S 0.77787457276041 0.37051879040806 0.50294194376557 32.065 > 4 43 S 0.27787457276041 0.87051879040806 0.50294194376557 32.065 > 4 44 S 0.77787457276041 0.87051879040806 0.50294194376557 32.065 > 4 45 S 0.27787457276041 0.37051879040806 0.83627527709890 32.065 > 4 46 S 0.77787457276041 0.37051879040806 0.83627527709890 32.065 > 4 47 S 0.27787457276041 0.87051879040806 0.83627527709890 32.065 > 4 48 S 0.77787457276041 0.87051879040806 0.83627527709890 32.065 > 4 *49 Br 0.45843266714324 0.18992875836782 0.06850460241122 79.904 > 5 50 Br 0.95843266714324 0.18992875836782 0.06850460241122 79.904 > 5 51 Br 0.45843266714324 0.68992875836782 0.06850460241122 79.904 > 5 52 Br 0.95843266714324 0.68992875836782 0.06850460241122 79.904 > 5 53 Br 0.45843266714324 0.18992875836782 0.40183793574455 79.904 > 5 54 Br 0.95843266714324 0.18992875836782 0.40183793574455 79.904 > 5 55 Br 0.45843266714324 0.68992875836782 0.40183793574455 79.904 > 5 56 Br 0.95843266714324 0.68992875836782 0.40183793574455 79.904 > 5 57 Br 0.45843266714324 0.18992875836782 0.73517126907788 79.904 > 5 58 Br 0.95843266714324 0.18992875836782 0.73517126907788 79.904 > 5 59 Br 0.45843266714324 0.68992875836782 0.73517126907788 79.904 > 5 60 Br 0.95843266714324 0.68992875836782 0.73517126907788 79.904 > 5 61 Br 0.45843266714324 0.06007124163218 0.23517126907788 79.904 > 6 62 Br 0.95843266714324 0.06007124163218 0.23517126907788 79.904 > 6 63 Br 0.45843266714324 0.56007124163218 0.23517126907788 79.904 > 6 64 Br 0.95843266714324 0.56007124163218 0.23517126907788 79.904 > 6 65 Br 0.45843266714324 0.06007124163218 0.56850460241122 79.904 > 6 66 Br 0.95843266714324 0.06007124163218 0.56850460241122 79.904 > 6 67 Br 0.45843266714324 0.56007124163218 0.56850460241122 79.904 > 6 68 Br 0.95843266714324 0.56007124163218 0.56850460241122 79.904 > 6 69 Br 0.45843266714324 0.06007124163218 0.90183793574455 79.904 > 6 70 Br 0.95843266714324 0.06007124163218 0.90183793574455 79.904 > 6 71 Br 0.45843266714324 0.56007124163218 0.90183793574455 79.904 > 6 72 Br 0.95843266714324 0.56007124163218 0.90183793574455 79.904 > 6 73 Br 0.04156733285676 0.31007124163218 0.26482873092212 79.904 > 7 74 Br 0.54156733285676 0.31007124163218 0.26482873092212 79.904 > 7 75 Br 0.04156733285676 0.81007124163218 0.26482873092212 79.904 > 7 76 Br 0.54156733285676 0.81007124163218 0.26482873092212 79.904 > 7 77 Br 0.04156733285676 0.31007124163218 0.59816206425545 79.904 > 7 78 Br 0.54156733285676 0.31007124163218 0.59816206425545 79.904 > 7 79 Br 0.04156733285676 0.81007124163218 0.59816206425545 79.904 > 7 80 Br 0.54156733285676 0.81007124163218 0.59816206425545 79.904 > 7 81 Br 0.04156733285676 0.31007124163218 0.93149539758878 79.904 > 7 82 Br 0.54156733285676 0.31007124163218 0.93149539758878 79.904 > 7 83 Br 0.04156733285676 0.81007124163218 0.93149539758878 79.904 > 7 84 Br 0.54156733285676 0.81007124163218 0.93149539758878 79.904 > 7 85 Br 0.04156733285676 0.43992875836782 0.09816206425545 79.904 > 8 86 Br 0.54156733285676 0.43992875836782 0.09816206425545 79.904 > 8 87 Br 0.04156733285676 0.93992875836782 0.09816206425545 79.904 > 8 88 Br 0.54156733285676 0.93992875836782 0.09816206425545 79.904 > 8 89 Br 0.04156733285676 0.43992875836782 0.43149539758878 79.904 > 8 90 Br 0.54156733285676 0.43992875836782 0.43149539758878 79.904 > 8 91 Br 0.04156733285676 0.93992875836782 0.43149539758878 79.904 > 8 92 Br 0.54156733285676 0.93992875836782 0.43149539758878 79.904 > 8 93 Br 0.04156733285676 0.43992875836782 0.76482873092212 79.904 > 8 94 Br 0.54156733285676 0.43992875836782 0.76482873092212 79.904 > 8 95 Br 0.04156733285676 0.93992875836782 0.76482873092212 79.904 > 8 96 Br 0.54156733285676 0.93992875836782 0.76482873092212 79.904 > 8 *97 Nd 0.15951378032777 0.48160369567642 0.23664682471180 144.242 > 9 98 Nd 0.65951378032777 0.48160369567642 0.23664682471180 144.242 > 9 99 Nd 0.15951378032777 0.98160369567642 0.23664682471180 144.242 > 9 100 Nd 0.65951378032777 0.98160369567642 0.23664682471180 144.242 > 9 101 Nd 0.15951378032777 0.48160369567642 0.56998015804514 144.242 > 9 102 Nd 0.65951378032777 0.48160369567642 0.56998015804514 144.242 > 9 103 Nd 0.15951378032777 0.98160369567642 0.56998015804514 144.242 > 9 104 Nd 0.65951378032777 0.98160369567642 0.56998015804514 144.242 > 9 105 Nd 0.15951378032777 0.48160369567642 0.90331349137847 144.242 > 9 106 Nd 0.65951378032777 0.48160369567642 0.90331349137847 144.242 > 9 107 Nd 0.15951378032777 0.98160369567642 0.90331349137847 144.242 > 9 108 Nd 0.65951378032777 0.98160369567642 0.90331349137847 144.242 > 9 109 Nd 0.34048621967223 0.23160369567642 0.26335317528820 144.242 > 10 110 Nd 0.84048621967223 0.23160369567642 0.26335317528820 144.242 > 10 111 Nd 0.34048621967223 0.73160369567642 0.26335317528820 144.242 > 10 112 Nd 0.84048621967223 0.73160369567642 0.26335317528820 144.242 > 10 113 Nd 0.34048621967223 0.23160369567642 0.59668650862153 144.242 > 10 114 Nd 0.84048621967223 0.23160369567642 0.59668650862153 144.242 > 10 115 Nd 0.34048621967223 0.73160369567642 0.59668650862153 144.242 > 10 116 Nd 0.84048621967223 0.73160369567642 0.59668650862153 144.242 > 10 117 Nd 0.34048621967223 0.23160369567642 0.93001984195486 144.242 > 10 118 Nd 0.84048621967223 0.23160369567642 0.93001984195486 144.242 > 10 119 Nd 0.34048621967223 0.73160369567642 0.93001984195486 144.242 > 10 120 Nd 0.84048621967223 0.73160369567642 0.93001984195486 144.242 > 10 121 Nd 0.34048621967223 0.01839630432358 0.09668650862153 144.242 > 11 122 Nd 0.84048621967223 0.01839630432358 0.09668650862153 144.242 > 11 123 Nd 0.34048621967223 0.51839630432358 0.09668650862153 144.242 > 11 124 Nd 0.84048621967223 0.51839630432358 0.09668650862153 144.242 > 11 125 Nd 0.34048621967223 0.01839630432358 0.43001984195486 144.242 > 11 126 Nd 0.84048621967223 0.01839630432358 0.43001984195486 144.242 > 11 127 Nd 0.34048621967223 0.51839630432358 0.43001984195486 144.242 > 11 128 Nd 0.84048621967223 0.51839630432358 0.43001984195486 144.242 > 11 129 Nd 0.34048621967223 0.01839630432358 0.76335317528820 144.242 > 11 130 Nd 0.84048621967223 0.01839630432358 0.76335317528820 144.242 > 11 131 Nd 0.34048621967223 0.51839630432358 0.76335317528820 144.242 > 11 132 Nd 0.84048621967223 0.51839630432358 0.76335317528820 144.242 > 11 133 Nd 0.15951378032777 0.26839630432358 0.06998015804514 144.242 > 12 134 Nd 0.65951378032777 0.26839630432358 0.06998015804514 144.242 > 12 135 Nd 0.15951378032777 0.76839630432358 0.06998015804514 144.242 > 12 136 Nd 0.65951378032777 0.76839630432358 0.06998015804514 144.242 > 12 137 Nd 0.15951378032777 0.26839630432358 0.40331349137847 144.242 > 12 138 Nd 0.65951378032777 0.26839630432358 0.40331349137847 144.242 > 12 139 Nd 0.15951378032777 0.76839630432358 0.40331349137847 144.242 > 12 140 Nd 0.65951378032777 0.76839630432358 0.40331349137847 144.242 > 12 141 Nd 0.15951378032777 0.26839630432358 0.73664682471180 144.242 > 12 142 Nd 0.65951378032777 0.26839630432358 0.73664682471180 144.242 > 12 143 Nd 0.15951378032777 0.76839630432358 0.73664682471180 144.242 > 12 144 Nd 0.65951378032777 0.76839630432358 0.73664682471180 144.242 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0803144 0.0000000 -0.0748712 0.0000000 6.0226393 0.0000000 -0.0748706 0.0000000 6.0081973-------------------------- Born effective charges -------------------------- 1 S -1.5938367 0.0326848 0.2268619 -0.0069106 -2.9924111 -0.2602712 0.2547269 -0.4616652 -2.9102022 2 S -1.5938367 -0.0326848 0.2268619 0.0069106 -2.9924111 0.2602712 0.2547269 0.4616652 -2.9102022 3 S -1.5938367 0.0326848 0.2268619 -0.0069106 -2.9924111 -0.2602712 0.2547269 -0.4616652 -2.9102022 4 S -1.5938367 -0.0326848 0.2268619 0.0069106 -2.9924111 0.2602712 0.2547269 0.4616652 -2.9102022 5 Br -1.8317684 -0.6200301 -0.1258562 -0.7636918 -1.3146977 0.3367131 -0.1163464 0.2941350 -1.1309130 6 Br -1.8317684 0.6200301 -0.1258562 0.7636918 -1.3146977 -0.3367131 -0.1163464 -0.2941350 -1.1309130 7 Br -1.8317684 -0.6200301 -0.1258562 -0.7636918 -1.3146977 0.3367131 -0.1163464 0.2941350 -1.1309130 8 Br -1.8317684 0.6200301 -0.1258562 0.7636918 -1.3146977 -0.3367131 -0.1163464 -0.2941350 -1.1309130 9 Nd 3.4256051 0.3324499 -0.1010057 -0.1373139 4.3071088 -0.0482837 -0.1383804 -0.2177872 4.0411152 10 Nd 3.4256051 -0.3324499 -0.1010057 0.1373139 4.3071088 0.0482837 -0.1383804 0.2177872 4.0411152 11 Nd 3.4256051 0.3324499 -0.1010057 -0.1373139 4.3071088 -0.0482837 -0.1383804 -0.2177872 4.0411152 12 Nd 3.4256051 -0.3324499 -0.1010057 0.1373139 4.3071088 0.0482837 -0.1383804 0.2177872 4.0411152----------------------------------------------------------------------------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: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2034Number of blocks in projector: 2034Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 246Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 246Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 246Use standard eigh solver.Tree of FC basis block matrices:- (2034, 2008), data: False|-- (246, 243), data: True|-- (246, 243), data: True|-- (246, 243), data: True|-- (432, 426), data: True|-- (432, 427), data: True|-- (432, 426), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 400 - Time: 4.473Solver_block: 200 / 400 - Time: 4.492Solver_block: 300 / 400 - Time: 4.509Solver_block: 400 / 400 - Time: 4.515Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.049--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2034Number of blocks in projector: 2034Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 246Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 246Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 246Use standard eigh solver.Tree of FC basis block matrices:- (2034, 2008), data: False|-- (246, 243), data: True|-- (246, 243), data: True|-- (246, 243), data: True|-- (432, 426), data: True|-- (432, 427), data: True|-- (432, 426), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 06:04:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:04:44]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 3]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.927568480061077 0.000000000000000 0.000000000000000 b 0.000000000000000 7.017483310000000 0.000000000000000 c -1.186353619481405 0.000000000000000 6.799097461754011Atomic positions (fractional): 1 S 0.44425085447917 0.24103758081613 0.99117416870329 32.065 2 S 0.44425085447917 0.25896241918388 0.49117416870329 32.065 3 S 0.55574914552083 0.75896241918387 0.00882583129671 32.065 4 S 0.55574914552083 0.74103758081613 0.50882583129671 32.065 5 Br 0.91686533428649 0.37985751673563 0.20551380723365 79.904 6 Br 0.91686533428649 0.12014248326437 0.70551380723365 79.904 7 Br 0.08313466571351 0.62014248326437 0.79448619276635 79.904 8 Br 0.08313466571351 0.87985751673563 0.29448619276635 79.904 9 Nd 0.31902756065554 0.96320739135284 0.70994047413541 144.242 10 Nd 0.68097243934446 0.46320739135284 0.79005952586459 144.242 11 Nd 0.68097243934446 0.03679260864716 0.29005952586459 144.242 12 Nd 0.31902756065554 0.53679260864716 0.20994047413541 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 13.855136960122154 0.000000000000000 0.000000000000000 b 0.000000000000000 14.034966620000001 0.000000000000000 c -3.559060858444215 0.000000000000000 20.397292385262034Atomic positions (fractional): 1 S 0.22212542723959 0.12051879040806 0.33039138956776 32.065 > 1 2 S 0.72212542723959 0.12051879040806 0.33039138956776 32.065 > 1 3 S 0.22212542723959 0.62051879040806 0.33039138956776 32.065 > 1 4 S 0.72212542723959 0.62051879040806 0.33039138956776 32.065 > 1 5 S 0.22212542723959 0.12051879040806 0.66372472290110 32.065 > 1 6 S 0.72212542723959 0.12051879040806 0.66372472290110 32.065 > 1 7 S 0.22212542723959 0.62051879040806 0.66372472290110 32.065 > 1 8 S 0.72212542723959 0.62051879040806 0.66372472290110 32.065 > 1 9 S 0.22212542723959 0.12051879040806 0.99705805623443 32.065 > 1 10 S 0.72212542723959 0.12051879040806 0.99705805623443 32.065 > 1 11 S 0.22212542723959 0.62051879040806 0.99705805623443 32.065 > 1 12 S 0.72212542723959 0.62051879040806 0.99705805623443 32.065 > 1 13 S 0.22212542723959 0.12948120959194 0.16372472290110 32.065 > 13 14 S 0.72212542723959 0.12948120959194 0.16372472290110 32.065 > 13 15 S 0.22212542723959 0.62948120959194 0.16372472290110 32.065 > 13 16 S 0.72212542723959 0.62948120959194 0.16372472290110 32.065 > 13 17 S 0.22212542723959 0.12948120959194 0.49705805623443 32.065 > 13 18 S 0.72212542723959 0.12948120959194 0.49705805623443 32.065 > 13 19 S 0.22212542723959 0.62948120959194 0.49705805623443 32.065 > 13 20 S 0.72212542723959 0.62948120959194 0.49705805623443 32.065 > 13 21 S 0.22212542723959 0.12948120959194 0.83039138956776 32.065 > 13 22 S 0.72212542723959 0.12948120959194 0.83039138956776 32.065 > 13 23 S 0.22212542723959 0.62948120959194 0.83039138956776 32.065 > 13 24 S 0.72212542723959 0.62948120959194 0.83039138956776 32.065 > 13 25 S 0.27787457276041 0.37948120959194 0.00294194376557 32.065 > 25 26 S 0.77787457276041 0.37948120959194 0.00294194376557 32.065 > 25 27 S 0.27787457276041 0.87948120959194 0.00294194376557 32.065 > 25 28 S 0.77787457276041 0.87948120959194 0.00294194376557 32.065 > 25 29 S 0.27787457276041 0.37948120959194 0.33627527709890 32.065 > 25 30 S 0.77787457276041 0.37948120959194 0.33627527709890 32.065 > 25 31 S 0.27787457276041 0.87948120959194 0.33627527709890 32.065 > 25 32 S 0.77787457276041 0.87948120959194 0.33627527709890 32.065 > 25 33 S 0.27787457276041 0.37948120959194 0.66960861043224 32.065 > 25 34 S 0.77787457276041 0.37948120959194 0.66960861043224 32.065 > 25 35 S 0.27787457276041 0.87948120959194 0.66960861043224 32.065 > 25 36 S 0.77787457276041 0.87948120959194 0.66960861043224 32.065 > 25 37 S 0.27787457276041 0.37051879040806 0.16960861043224 32.065 > 37 38 S 0.77787457276041 0.37051879040806 0.16960861043224 32.065 > 37 39 S 0.27787457276041 0.87051879040806 0.16960861043224 32.065 > 37 40 S 0.77787457276041 0.87051879040806 0.16960861043224 32.065 > 37 41 S 0.27787457276041 0.37051879040806 0.50294194376557 32.065 > 37 42 S 0.77787457276041 0.37051879040806 0.50294194376557 32.065 > 37 43 S 0.27787457276041 0.87051879040806 0.50294194376557 32.065 > 37 44 S 0.77787457276041 0.87051879040806 0.50294194376557 32.065 > 37 45 S 0.27787457276041 0.37051879040806 0.83627527709890 32.065 > 37 46 S 0.77787457276041 0.37051879040806 0.83627527709890 32.065 > 37 47 S 0.27787457276041 0.87051879040806 0.83627527709890 32.065 > 37 48 S 0.77787457276041 0.87051879040806 0.83627527709890 32.065 > 37 49 Br 0.45843266714324 0.18992875836782 0.06850460241122 79.904 > 49 50 Br 0.95843266714324 0.18992875836782 0.06850460241122 79.904 > 49 51 Br 0.45843266714324 0.68992875836782 0.06850460241122 79.904 > 49 52 Br 0.95843266714324 0.68992875836782 0.06850460241122 79.904 > 49 53 Br 0.45843266714324 0.18992875836782 0.40183793574455 79.904 > 49 54 Br 0.95843266714324 0.18992875836782 0.40183793574455 79.904 > 49 55 Br 0.45843266714324 0.68992875836782 0.40183793574455 79.904 > 49 56 Br 0.95843266714324 0.68992875836782 0.40183793574455 79.904 > 49 57 Br 0.45843266714324 0.18992875836782 0.73517126907788 79.904 > 49 58 Br 0.95843266714324 0.18992875836782 0.73517126907788 79.904 > 49 59 Br 0.45843266714324 0.68992875836782 0.73517126907788 79.904 > 49 60 Br 0.95843266714324 0.68992875836782 0.73517126907788 79.904 > 49 61 Br 0.45843266714324 0.06007124163218 0.23517126907788 79.904 > 61 62 Br 0.95843266714324 0.06007124163218 0.23517126907788 79.904 > 61 63 Br 0.45843266714324 0.56007124163218 0.23517126907788 79.904 > 61 64 Br 0.95843266714324 0.56007124163218 0.23517126907788 79.904 > 61 65 Br 0.45843266714324 0.06007124163218 0.56850460241122 79.904 > 61 66 Br 0.95843266714324 0.06007124163218 0.56850460241122 79.904 > 61 67 Br 0.45843266714324 0.56007124163218 0.56850460241122 79.904 > 61 68 Br 0.95843266714324 0.56007124163218 0.56850460241122 79.904 > 61 69 Br 0.45843266714324 0.06007124163218 0.90183793574455 79.904 > 61 70 Br 0.95843266714324 0.06007124163218 0.90183793574455 79.904 > 61 71 Br 0.45843266714324 0.56007124163218 0.90183793574455 79.904 > 61 72 Br 0.95843266714324 0.56007124163218 0.90183793574455 79.904 > 61 73 Br 0.04156733285676 0.31007124163218 0.26482873092212 79.904 > 73 74 Br 0.54156733285676 0.31007124163218 0.26482873092212 79.904 > 73 75 Br 0.04156733285676 0.81007124163218 0.26482873092212 79.904 > 73 76 Br 0.54156733285676 0.81007124163218 0.26482873092212 79.904 > 73 77 Br 0.04156733285676 0.31007124163218 0.59816206425545 79.904 > 73 78 Br 0.54156733285676 0.31007124163218 0.59816206425545 79.904 > 73 79 Br 0.04156733285676 0.81007124163218 0.59816206425545 79.904 > 73 80 Br 0.54156733285676 0.81007124163218 0.59816206425545 79.904 > 73 81 Br 0.04156733285676 0.31007124163218 0.93149539758878 79.904 > 73 82 Br 0.54156733285676 0.31007124163218 0.93149539758878 79.904 > 73 83 Br 0.04156733285676 0.81007124163218 0.93149539758878 79.904 > 73 84 Br 0.54156733285676 0.81007124163218 0.93149539758878 79.904 > 73 85 Br 0.04156733285676 0.43992875836782 0.09816206425545 79.904 > 85 86 Br 0.54156733285676 0.43992875836782 0.09816206425545 79.904 > 85 87 Br 0.04156733285676 0.93992875836782 0.09816206425545 79.904 > 85 88 Br 0.54156733285676 0.93992875836782 0.09816206425545 79.904 > 85 89 Br 0.04156733285676 0.43992875836782 0.43149539758878 79.904 > 85 90 Br 0.54156733285676 0.43992875836782 0.43149539758878 79.904 > 85 91 Br 0.04156733285676 0.93992875836782 0.43149539758878 79.904 > 85 92 Br 0.54156733285676 0.93992875836782 0.43149539758878 79.904 > 85 93 Br 0.04156733285676 0.43992875836782 0.76482873092212 79.904 > 85 94 Br 0.54156733285676 0.43992875836782 0.76482873092212 79.904 > 85 95 Br 0.04156733285676 0.93992875836782 0.76482873092212 79.904 > 85 96 Br 0.54156733285676 0.93992875836782 0.76482873092212 79.904 > 85 97 Nd 0.15951378032777 0.48160369567642 0.23664682471180 144.242 > 97 98 Nd 0.65951378032777 0.48160369567642 0.23664682471180 144.242 > 97 99 Nd 0.15951378032777 0.98160369567642 0.23664682471180 144.242 > 97 100 Nd 0.65951378032777 0.98160369567642 0.23664682471180 144.242 > 97 101 Nd 0.15951378032777 0.48160369567642 0.56998015804514 144.242 > 97 102 Nd 0.65951378032777 0.48160369567642 0.56998015804514 144.242 > 97 103 Nd 0.15951378032777 0.98160369567642 0.56998015804514 144.242 > 97 104 Nd 0.65951378032777 0.98160369567642 0.56998015804514 144.242 > 97 105 Nd 0.15951378032777 0.48160369567642 0.90331349137847 144.242 > 97 106 Nd 0.65951378032777 0.48160369567642 0.90331349137847 144.242 > 97 107 Nd 0.15951378032777 0.98160369567642 0.90331349137847 144.242 > 97 108 Nd 0.65951378032777 0.98160369567642 0.90331349137847 144.242 > 97 109 Nd 0.34048621967223 0.23160369567642 0.26335317528820 144.242 > 109 110 Nd 0.84048621967223 0.23160369567642 0.26335317528820 144.242 > 109 111 Nd 0.34048621967223 0.73160369567642 0.26335317528820 144.242 > 109 112 Nd 0.84048621967223 0.73160369567642 0.26335317528820 144.242 > 109 113 Nd 0.34048621967223 0.23160369567642 0.59668650862153 144.242 > 109 114 Nd 0.84048621967223 0.23160369567642 0.59668650862153 144.242 > 109 115 Nd 0.34048621967223 0.73160369567642 0.59668650862153 144.242 > 109 116 Nd 0.84048621967223 0.73160369567642 0.59668650862153 144.242 > 109 117 Nd 0.34048621967223 0.23160369567642 0.93001984195486 144.242 > 109 118 Nd 0.84048621967223 0.23160369567642 0.93001984195486 144.242 > 109 119 Nd 0.34048621967223 0.73160369567642 0.93001984195486 144.242 > 109 120 Nd 0.84048621967223 0.73160369567642 0.93001984195486 144.242 > 109 121 Nd 0.34048621967223 0.01839630432358 0.09668650862153 144.242 > 121 122 Nd 0.84048621967223 0.01839630432358 0.09668650862153 144.242 > 121 123 Nd 0.34048621967223 0.51839630432358 0.09668650862153 144.242 > 121 124 Nd 0.84048621967223 0.51839630432358 0.09668650862153 144.242 > 121 125 Nd 0.34048621967223 0.01839630432358 0.43001984195486 144.242 > 121 126 Nd 0.84048621967223 0.01839630432358 0.43001984195486 144.242 > 121 127 Nd 0.34048621967223 0.51839630432358 0.43001984195486 144.242 > 121 128 Nd 0.84048621967223 0.51839630432358 0.43001984195486 144.242 > 121 129 Nd 0.34048621967223 0.01839630432358 0.76335317528820 144.242 > 121 130 Nd 0.84048621967223 0.01839630432358 0.76335317528820 144.242 > 121 131 Nd 0.34048621967223 0.51839630432358 0.76335317528820 144.242 > 121 132 Nd 0.84048621967223 0.51839630432358 0.76335317528820 144.242 > 121 133 Nd 0.15951378032777 0.26839630432358 0.06998015804514 144.242 > 133 134 Nd 0.65951378032777 0.26839630432358 0.06998015804514 144.242 > 133 135 Nd 0.15951378032777 0.76839630432358 0.06998015804514 144.242 > 133 136 Nd 0.65951378032777 0.76839630432358 0.06998015804514 144.242 > 133 137 Nd 0.15951378032777 0.26839630432358 0.40331349137847 144.242 > 133 138 Nd 0.65951378032777 0.26839630432358 0.40331349137847 144.242 > 133 139 Nd 0.15951378032777 0.76839630432358 0.40331349137847 144.242 > 133 140 Nd 0.65951378032777 0.76839630432358 0.40331349137847 144.242 > 133 141 Nd 0.15951378032777 0.26839630432358 0.73664682471180 144.242 > 133 142 Nd 0.65951378032777 0.26839630432358 0.73664682471180 144.242 > 133 143 Nd 0.15951378032777 0.76839630432358 0.73664682471180 144.242 > 133 144 Nd 0.65951378032777 0.76839630432358 0.73664682471180 144.242 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0803144 0.0000000 -0.0748712 0.0000000 6.0226393 0.0000000 -0.0748706 0.0000000 6.0081973-------------------------- Born effective charges -------------------------- 1 S -1.5938367 0.0326848 0.2268619 -0.0069106 -2.9924111 -0.2602712 0.2547269 -0.4616652 -2.9102022 2 S -1.5938367 -0.0326848 0.2268619 0.0069106 -2.9924111 0.2602712 0.2547269 0.4616652 -2.9102022 3 S -1.5938367 0.0326848 0.2268619 -0.0069106 -2.9924111 -0.2602712 0.2547269 -0.4616652 -2.9102022 4 S -1.5938367 -0.0326848 0.2268619 0.0069106 -2.9924111 0.2602712 0.2547269 0.4616652 -2.9102022 5 Br -1.8317684 -0.6200301 -0.1258562 -0.7636918 -1.3146977 0.3367131 -0.1163464 0.2941350 -1.1309130 6 Br -1.8317684 0.6200301 -0.1258562 0.7636918 -1.3146977 -0.3367131 -0.1163464 -0.2941350 -1.1309130 7 Br -1.8317684 -0.6200301 -0.1258562 -0.7636918 -1.3146977 0.3367131 -0.1163464 0.2941350 -1.1309130 8 Br -1.8317684 0.6200301 -0.1258562 0.7636918 -1.3146977 -0.3367131 -0.1163464 -0.2941350 -1.1309130 9 Nd 3.4256051 0.3324499 -0.1010057 -0.1373139 4.3071088 -0.0482837 -0.1383804 -0.2177872 4.0411152 10 Nd 3.4256051 -0.3324499 -0.1010057 0.1373139 4.3071088 0.0482837 -0.1383804 0.2177872 4.0411152 11 Nd 3.4256051 0.3324499 -0.1010057 -0.1373139 4.3071088 -0.0482837 -0.1383804 -0.2177872 4.0411152 12 Nd 3.4256051 -0.3324499 -0.1010057 0.1373139 4.3071088 0.0482837 -0.1383804 0.2177872 4.0411152----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:05:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:05:06]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 3]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.927568480061077 0.000000000000000 0.000000000000000 b 0.000000000000000 7.017483310000000 0.000000000000000 c -1.186353619481405 0.000000000000000 6.799097461754011Atomic positions (fractional): 1 S 0.44425085447917 0.24103758081613 0.99117416870329 32.065 2 S 0.44425085447917 0.25896241918388 0.49117416870329 32.065 3 S 0.55574914552083 0.75896241918387 0.00882583129671 32.065 4 S 0.55574914552083 0.74103758081613 0.50882583129671 32.065 5 Br 0.91686533428649 0.37985751673563 0.20551380723365 79.904 6 Br 0.91686533428649 0.12014248326437 0.70551380723365 79.904 7 Br 0.08313466571351 0.62014248326437 0.79448619276635 79.904 8 Br 0.08313466571351 0.87985751673563 0.29448619276635 79.904 9 Nd 0.31902756065554 0.96320739135284 0.70994047413541 144.242 10 Nd 0.68097243934446 0.46320739135284 0.79005952586459 144.242 11 Nd 0.68097243934446 0.03679260864716 0.29005952586459 144.242 12 Nd 0.31902756065554 0.53679260864716 0.20994047413541 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 13.855136960122154 0.000000000000000 0.000000000000000 b 0.000000000000000 14.034966620000001 0.000000000000000 c -3.559060858444215 0.000000000000000 20.397292385262034Atomic positions (fractional): 1 S 0.22212542723959 0.12051879040806 0.33039138956776 32.065 > 1 2 S 0.72212542723959 0.12051879040806 0.33039138956776 32.065 > 1 3 S 0.22212542723959 0.62051879040806 0.33039138956776 32.065 > 1 4 S 0.72212542723959 0.62051879040806 0.33039138956776 32.065 > 1 5 S 0.22212542723959 0.12051879040806 0.66372472290110 32.065 > 1 6 S 0.72212542723959 0.12051879040806 0.66372472290110 32.065 > 1 7 S 0.22212542723959 0.62051879040806 0.66372472290110 32.065 > 1 8 S 0.72212542723959 0.62051879040806 0.66372472290110 32.065 > 1 9 S 0.22212542723959 0.12051879040806 0.99705805623443 32.065 > 1 10 S 0.72212542723959 0.12051879040806 0.99705805623443 32.065 > 1 11 S 0.22212542723959 0.62051879040806 0.99705805623443 32.065 > 1 12 S 0.72212542723959 0.62051879040806 0.99705805623443 32.065 > 1 13 S 0.22212542723959 0.12948120959194 0.16372472290110 32.065 > 13 14 S 0.72212542723959 0.12948120959194 0.16372472290110 32.065 > 13 15 S 0.22212542723959 0.62948120959194 0.16372472290110 32.065 > 13 16 S 0.72212542723959 0.62948120959194 0.16372472290110 32.065 > 13 17 S 0.22212542723959 0.12948120959194 0.49705805623443 32.065 > 13 18 S 0.72212542723959 0.12948120959194 0.49705805623443 32.065 > 13 19 S 0.22212542723959 0.62948120959194 0.49705805623443 32.065 > 13 20 S 0.72212542723959 0.62948120959194 0.49705805623443 32.065 > 13 21 S 0.22212542723959 0.12948120959194 0.83039138956776 32.065 > 13 22 S 0.72212542723959 0.12948120959194 0.83039138956776 32.065 > 13 23 S 0.22212542723959 0.62948120959194 0.83039138956776 32.065 > 13 24 S 0.72212542723959 0.62948120959194 0.83039138956776 32.065 > 13 25 S 0.27787457276041 0.37948120959194 0.00294194376557 32.065 > 25 26 S 0.77787457276041 0.37948120959194 0.00294194376557 32.065 > 25 27 S 0.27787457276041 0.87948120959194 0.00294194376557 32.065 > 25 28 S 0.77787457276041 0.87948120959194 0.00294194376557 32.065 > 25 29 S 0.27787457276041 0.37948120959194 0.33627527709890 32.065 > 25 30 S 0.77787457276041 0.37948120959194 0.33627527709890 32.065 > 25 31 S 0.27787457276041 0.87948120959194 0.33627527709890 32.065 > 25 32 S 0.77787457276041 0.87948120959194 0.33627527709890 32.065 > 25 33 S 0.27787457276041 0.37948120959194 0.66960861043224 32.065 > 25 34 S 0.77787457276041 0.37948120959194 0.66960861043224 32.065 > 25 35 S 0.27787457276041 0.87948120959194 0.66960861043224 32.065 > 25 36 S 0.77787457276041 0.87948120959194 0.66960861043224 32.065 > 25 37 S 0.27787457276041 0.37051879040806 0.16960861043224 32.065 > 37 38 S 0.77787457276041 0.37051879040806 0.16960861043224 32.065 > 37 39 S 0.27787457276041 0.87051879040806 0.16960861043224 32.065 > 37 40 S 0.77787457276041 0.87051879040806 0.16960861043224 32.065 > 37 41 S 0.27787457276041 0.37051879040806 0.50294194376557 32.065 > 37 42 S 0.77787457276041 0.37051879040806 0.50294194376557 32.065 > 37 43 S 0.27787457276041 0.87051879040806 0.50294194376557 32.065 > 37 44 S 0.77787457276041 0.87051879040806 0.50294194376557 32.065 > 37 45 S 0.27787457276041 0.37051879040806 0.83627527709890 32.065 > 37 46 S 0.77787457276041 0.37051879040806 0.83627527709890 32.065 > 37 47 S 0.27787457276041 0.87051879040806 0.83627527709890 32.065 > 37 48 S 0.77787457276041 0.87051879040806 0.83627527709890 32.065 > 37 49 Br 0.45843266714324 0.18992875836782 0.06850460241122 79.904 > 49 50 Br 0.95843266714324 0.18992875836782 0.06850460241122 79.904 > 49 51 Br 0.45843266714324 0.68992875836782 0.06850460241122 79.904 > 49 52 Br 0.95843266714324 0.68992875836782 0.06850460241122 79.904 > 49 53 Br 0.45843266714324 0.18992875836782 0.40183793574455 79.904 > 49 54 Br 0.95843266714324 0.18992875836782 0.40183793574455 79.904 > 49 55 Br 0.45843266714324 0.68992875836782 0.40183793574455 79.904 > 49 56 Br 0.95843266714324 0.68992875836782 0.40183793574455 79.904 > 49 57 Br 0.45843266714324 0.18992875836782 0.73517126907788 79.904 > 49 58 Br 0.95843266714324 0.18992875836782 0.73517126907788 79.904 > 49 59 Br 0.45843266714324 0.68992875836782 0.73517126907788 79.904 > 49 60 Br 0.95843266714324 0.68992875836782 0.73517126907788 79.904 > 49 61 Br 0.45843266714324 0.06007124163218 0.23517126907788 79.904 > 61 62 Br 0.95843266714324 0.06007124163218 0.23517126907788 79.904 > 61 63 Br 0.45843266714324 0.56007124163218 0.23517126907788 79.904 > 61 64 Br 0.95843266714324 0.56007124163218 0.23517126907788 79.904 > 61 65 Br 0.45843266714324 0.06007124163218 0.56850460241122 79.904 > 61 66 Br 0.95843266714324 0.06007124163218 0.56850460241122 79.904 > 61 67 Br 0.45843266714324 0.56007124163218 0.56850460241122 79.904 > 61 68 Br 0.95843266714324 0.56007124163218 0.56850460241122 79.904 > 61 69 Br 0.45843266714324 0.06007124163218 0.90183793574455 79.904 > 61 70 Br 0.95843266714324 0.06007124163218 0.90183793574455 79.904 > 61 71 Br 0.45843266714324 0.56007124163218 0.90183793574455 79.904 > 61 72 Br 0.95843266714324 0.56007124163218 0.90183793574455 79.904 > 61 73 Br 0.04156733285676 0.31007124163218 0.26482873092212 79.904 > 73 74 Br 0.54156733285676 0.31007124163218 0.26482873092212 79.904 > 73 75 Br 0.04156733285676 0.81007124163218 0.26482873092212 79.904 > 73 76 Br 0.54156733285676 0.81007124163218 0.26482873092212 79.904 > 73 77 Br 0.04156733285676 0.31007124163218 0.59816206425545 79.904 > 73 78 Br 0.54156733285676 0.31007124163218 0.59816206425545 79.904 > 73 79 Br 0.04156733285676 0.81007124163218 0.59816206425545 79.904 > 73 80 Br 0.54156733285676 0.81007124163218 0.59816206425545 79.904 > 73 81 Br 0.04156733285676 0.31007124163218 0.93149539758878 79.904 > 73 82 Br 0.54156733285676 0.31007124163218 0.93149539758878 79.904 > 73 83 Br 0.04156733285676 0.81007124163218 0.93149539758878 79.904 > 73 84 Br 0.54156733285676 0.81007124163218 0.93149539758878 79.904 > 73 85 Br 0.04156733285676 0.43992875836782 0.09816206425545 79.904 > 85 86 Br 0.54156733285676 0.43992875836782 0.09816206425545 79.904 > 85 87 Br 0.04156733285676 0.93992875836782 0.09816206425545 79.904 > 85 88 Br 0.54156733285676 0.93992875836782 0.09816206425545 79.904 > 85 89 Br 0.04156733285676 0.43992875836782 0.43149539758878 79.904 > 85 90 Br 0.54156733285676 0.43992875836782 0.43149539758878 79.904 > 85 91 Br 0.04156733285676 0.93992875836782 0.43149539758878 79.904 > 85 92 Br 0.54156733285676 0.93992875836782 0.43149539758878 79.904 > 85 93 Br 0.04156733285676 0.43992875836782 0.76482873092212 79.904 > 85 94 Br 0.54156733285676 0.43992875836782 0.76482873092212 79.904 > 85 95 Br 0.04156733285676 0.93992875836782 0.76482873092212 79.904 > 85 96 Br 0.54156733285676 0.93992875836782 0.76482873092212 79.904 > 85 97 Nd 0.15951378032777 0.48160369567642 0.23664682471180 144.242 > 97 98 Nd 0.65951378032777 0.48160369567642 0.23664682471180 144.242 > 97 99 Nd 0.15951378032777 0.98160369567642 0.23664682471180 144.242 > 97 100 Nd 0.65951378032777 0.98160369567642 0.23664682471180 144.242 > 97 101 Nd 0.15951378032777 0.48160369567642 0.56998015804514 144.242 > 97 102 Nd 0.65951378032777 0.48160369567642 0.56998015804514 144.242 > 97 103 Nd 0.15951378032777 0.98160369567642 0.56998015804514 144.242 > 97 104 Nd 0.65951378032777 0.98160369567642 0.56998015804514 144.242 > 97 105 Nd 0.15951378032777 0.48160369567642 0.90331349137847 144.242 > 97 106 Nd 0.65951378032777 0.48160369567642 0.90331349137847 144.242 > 97 107 Nd 0.15951378032777 0.98160369567642 0.90331349137847 144.242 > 97 108 Nd 0.65951378032777 0.98160369567642 0.90331349137847 144.242 > 97 109 Nd 0.34048621967223 0.23160369567642 0.26335317528820 144.242 > 109 110 Nd 0.84048621967223 0.23160369567642 0.26335317528820 144.242 > 109 111 Nd 0.34048621967223 0.73160369567642 0.26335317528820 144.242 > 109 112 Nd 0.84048621967223 0.73160369567642 0.26335317528820 144.242 > 109 113 Nd 0.34048621967223 0.23160369567642 0.59668650862153 144.242 > 109 114 Nd 0.84048621967223 0.23160369567642 0.59668650862153 144.242 > 109 115 Nd 0.34048621967223 0.73160369567642 0.59668650862153 144.242 > 109 116 Nd 0.84048621967223 0.73160369567642 0.59668650862153 144.242 > 109 117 Nd 0.34048621967223 0.23160369567642 0.93001984195486 144.242 > 109 118 Nd 0.84048621967223 0.23160369567642 0.93001984195486 144.242 > 109 119 Nd 0.34048621967223 0.73160369567642 0.93001984195486 144.242 > 109 120 Nd 0.84048621967223 0.73160369567642 0.93001984195486 144.242 > 109 121 Nd 0.34048621967223 0.01839630432358 0.09668650862153 144.242 > 121 122 Nd 0.84048621967223 0.01839630432358 0.09668650862153 144.242 > 121 123 Nd 0.34048621967223 0.51839630432358 0.09668650862153 144.242 > 121 124 Nd 0.84048621967223 0.51839630432358 0.09668650862153 144.242 > 121 125 Nd 0.34048621967223 0.01839630432358 0.43001984195486 144.242 > 121 126 Nd 0.84048621967223 0.01839630432358 0.43001984195486 144.242 > 121 127 Nd 0.34048621967223 0.51839630432358 0.43001984195486 144.242 > 121 128 Nd 0.84048621967223 0.51839630432358 0.43001984195486 144.242 > 121 129 Nd 0.34048621967223 0.01839630432358 0.76335317528820 144.242 > 121 130 Nd 0.84048621967223 0.01839630432358 0.76335317528820 144.242 > 121 131 Nd 0.34048621967223 0.51839630432358 0.76335317528820 144.242 > 121 132 Nd 0.84048621967223 0.51839630432358 0.76335317528820 144.242 > 121 133 Nd 0.15951378032777 0.26839630432358 0.06998015804514 144.242 > 133 134 Nd 0.65951378032777 0.26839630432358 0.06998015804514 144.242 > 133 135 Nd 0.15951378032777 0.76839630432358 0.06998015804514 144.242 > 133 136 Nd 0.65951378032777 0.76839630432358 0.06998015804514 144.242 > 133 137 Nd 0.15951378032777 0.26839630432358 0.40331349137847 144.242 > 133 138 Nd 0.65951378032777 0.26839630432358 0.40331349137847 144.242 > 133 139 Nd 0.15951378032777 0.76839630432358 0.40331349137847 144.242 > 133 140 Nd 0.65951378032777 0.76839630432358 0.40331349137847 144.242 > 133 141 Nd 0.15951378032777 0.26839630432358 0.73664682471180 144.242 > 133 142 Nd 0.65951378032777 0.26839630432358 0.73664682471180 144.242 > 133 143 Nd 0.15951378032777 0.76839630432358 0.73664682471180 144.242 > 133 144 Nd 0.65951378032777 0.76839630432358 0.73664682471180 144.242 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.0803144 0.0000000 -0.0748712 0.0000000 6.0226393 0.0000000 -0.0748706 0.0000000 6.0081973-------------------------- Born effective charges -------------------------- 1 S -1.5938367 0.0326848 0.2268619 -0.0069106 -2.9924111 -0.2602712 0.2547269 -0.4616652 -2.9102022 2 S -1.5938367 -0.0326848 0.2268619 0.0069106 -2.9924111 0.2602712 0.2547269 0.4616652 -2.9102022 3 S -1.5938367 0.0326848 0.2268619 -0.0069106 -2.9924111 -0.2602712 0.2547269 -0.4616652 -2.9102022 4 S -1.5938367 -0.0326848 0.2268619 0.0069106 -2.9924111 0.2602712 0.2547269 0.4616652 -2.9102022 5 Br -1.8317684 -0.6200301 -0.1258562 -0.7636918 -1.3146977 0.3367131 -0.1163464 0.2941350 -1.1309130 6 Br -1.8317684 0.6200301 -0.1258562 0.7636918 -1.3146977 -0.3367131 -0.1163464 -0.2941350 -1.1309130 7 Br -1.8317684 -0.6200301 -0.1258562 -0.7636918 -1.3146977 0.3367131 -0.1163464 0.2941350 -1.1309130 8 Br -1.8317684 0.6200301 -0.1258562 0.7636918 -1.3146977 -0.3367131 -0.1163464 -0.2941350 -1.1309130 9 Nd 3.4256051 0.3324499 -0.1010057 -0.1373139 4.3071088 -0.0482837 -0.1383804 -0.2177872 4.0411152 10 Nd 3.4256051 -0.3324499 -0.1010057 0.1373139 4.3071088 0.0482837 -0.1383804 0.2177872 4.0411152 11 Nd 3.4256051 0.3324499 -0.1010057 -0.1373139 4.3071088 -0.0482837 -0.1383804 -0.2177872 4.0411152 12 Nd 3.4256051 -0.3324499 -0.1010057 0.1373139 4.3071088 0.0482837 -0.1383804 0.2177872 4.0411152----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 7 7 ]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: 0.60, Number of G-points: 299, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/100) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/100) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.308 ( 14.021 0.000 4.461) 14.714 0.486 ( 21.817 0.000 4.745) 22.327 0.700 ( 27.500 0.000 10.323) 29.374 1.171 ( 6.557 0.000 -0.091) 6.557 1.550 ( -3.996 0.000 -3.003) 4.998 1.802 ( -4.852 0.000 -10.703) 11.751 2.084 ( -2.529 0.000 -0.360) 2.555 2.312 ( 2.793 0.000 -1.229) 3.051 2.359 ( -3.925 0.000 6.141) 7.288 2.469 ( 7.432 0.000 1.956) 7.685 2.482 ( -3.612 0.000 3.006) 4.699 2.828 ( -4.313 0.000 -3.005) 5.257 2.904 ( 2.486 0.000 -8.916) 9.256 3.049 ( -0.586 0.000 -0.154) 0.606 3.159 ( -3.450 0.000 2.849) 4.475 3.263 ( -1.737 0.000 9.397) 9.556 3.296 ( 3.205 0.000 -2.119) 3.842 3.808 ( -2.965 0.000 -0.028) 2.965 3.926 ( -0.329 0.000 0.626) 0.707 4.264 ( -11.109 0.000 -1.248) 11.179 4.450 ( 4.586 0.000 1.018) 4.698 4.619 ( 1.176 0.000 -0.340) 1.224 4.800 ( -2.653 0.000 -3.016) 4.017 5.426 ( 6.978 0.000 1.142) 7.071 5.799 ( 0.456 0.000 -0.112) 0.469 5.880 ( -0.359 0.000 -0.475) 0.596 6.047 ( -0.043 0.000 0.788) 0.790 6.177 ( 0.989 0.000 -4.266) 4.379 6.528 ( -0.620 0.000 0.510) 0.803 6.977 ( 1.294 0.000 -0.134) 1.300 7.056 ( 6.917 0.000 -40.158) 40.749 8.135 ( -5.783 0.000 32.132) 32.648 8.275 ( -0.761 0.000 -0.082) 0.766 8.419 ( -0.306 0.000 0.434) 0.532 9.376 ( -0.629 0.000 -0.444) 0.770 9.460 ( -1.942 0.000 0.858) 2.123======================= Grid point 2 (3/100) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 12.401 0.000 4.973) 13.361 0.913 ( 17.280 0.000 4.660) 17.898 1.034 ( 4.851 0.000 2.803) 5.603 1.432 ( 7.697 0.000 -1.555) 7.852 1.447 ( -3.878 0.000 -4.226) 5.736 1.748 ( 10.261 0.000 -1.278) 10.340 2.014 ( -3.835 0.000 0.006) 3.835 2.307 ( -4.002 0.000 7.878) 8.837 2.350 ( -8.358 0.000 2.694) 8.781 2.379 ( 4.387 0.000 -2.697) 5.150 2.641 ( 7.442 0.000 0.750) 7.480 2.710 ( -4.546 0.000 -9.403) 10.445 2.929 ( 1.497 0.000 -6.017) 6.201 3.035 ( -0.764 0.000 1.092) 1.333 3.132 ( 0.701 0.000 2.159) 2.270 3.261 ( -0.991 0.000 4.665) 4.769 3.334 ( 0.862 0.000 -0.588) 1.044 3.642 ( -13.086 0.000 -2.227) 13.275 3.922 ( -0.191 0.000 0.512) 0.546 4.072 ( -5.812 0.000 0.576) 5.841 4.562 ( 4.957 0.000 2.434) 5.522 4.649 ( 1.914 0.000 -1.531) 2.451 4.717 ( -3.845 0.000 -1.993) 4.330 5.571 ( 5.766 0.000 1.549) 5.970 5.810 ( 0.642 0.000 -0.158) 0.661 5.869 ( -0.477 0.000 -0.459) 0.662 6.050 ( -0.010 0.000 0.962) 0.962 6.183 ( 0.682 0.000 -1.919) 2.036 6.516 ( -0.664 0.000 0.797) 1.038 7.007 ( 1.452 0.000 -0.188) 1.464 7.053 ( 2.708 0.000 -16.969) 17.183 8.130 ( -2.321 0.000 11.906) 12.130 8.255 ( -0.965 0.000 -0.100) 0.970 8.412 ( -0.438 0.000 0.480) 0.650 9.358 ( -0.745 0.000 -0.574) 0.941 9.414 ( -2.557 0.000 1.085) 2.778======================= Grid point 3 (4/100) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 6.439 0.000 3.335) 7.252 1.088 ( 1.084 0.000 0.041) 1.085 1.184 ( 6.170 0.000 3.018) 6.869 1.374 ( -4.147 0.000 -3.479) 5.413 1.393 ( 0.304 0.000 -2.888) 2.904 1.954 ( -1.287 0.000 0.014) 1.287 2.094 ( 11.215 0.000 3.882) 11.868 2.153 ( -6.737 0.000 0.484) 6.754 2.316 ( -0.500 0.000 5.652) 5.674 2.508 ( 10.979 0.000 -4.991) 12.060 2.600 ( -2.389 0.000 -6.599) 7.018 2.708 ( -3.627 0.000 1.761) 4.032 2.919 ( -0.395 0.000 -1.585) 1.634 3.032 ( -0.084 0.000 2.549) 2.550 3.182 ( 2.251 0.000 0.393) 2.285 3.224 ( -4.580 0.000 -0.163) 4.583 3.331 ( -0.674 0.000 0.035) 0.675 3.390 ( -5.603 0.000 -1.090) 5.708 3.922 ( 0.026 0.000 0.175) 0.177 4.000 ( -1.994 0.000 0.562) 2.072 4.647 ( 1.868 0.000 3.499) 3.967 4.652 ( -1.626 0.000 -0.749) 1.790 4.675 ( 1.114 0.000 -3.075) 3.271 5.658 ( 2.047 0.000 0.575) 2.127 5.821 ( 0.309 0.000 -0.083) 0.320 5.860 ( -0.203 0.000 -0.102) 0.227 6.052 ( 0.015 0.000 0.427) 0.427 6.189 ( 0.265 0.000 -0.656) 0.707 6.509 ( -0.251 0.000 0.420) 0.489 7.029 ( 0.592 0.000 -0.091) 0.599 7.048 ( 0.750 0.000 -5.265) 5.319 8.126 ( -0.692 0.000 3.298) 3.370 8.239 ( -0.435 0.000 -0.044) 0.437 8.406 ( -0.215 0.000 0.192) 0.288 9.346 ( -0.252 0.000 -0.310) 0.399 9.375 ( -1.255 0.000 0.536) 1.364======================= Grid point 7 (5/100) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.425 ( 0.000 20.728 0.000) 20.728 0.463 ( 0.000 22.535 0.000) 22.535 0.862 ( 0.000 36.913 0.000) 36.913 1.207 ( 0.000 9.912 0.000) 9.912 1.629 ( 0.000 0.644 0.000) 0.644 1.850 ( 0.000 -0.716 0.000) 0.716 2.090 ( 0.000 -2.270 0.000) 2.270 2.227 ( 0.000 -5.445 0.000) 5.445 2.441 ( 0.000 7.180 0.000) 7.180 2.504 ( 0.000 5.258 0.000) 5.258 2.571 ( 0.000 6.882 0.000) 6.882 2.818 ( 0.000 -8.026 0.000) 8.026 2.869 ( 0.000 -1.853 0.000) 1.853 3.091 ( 0.000 3.176 0.000) 3.176 3.153 ( 0.000 -1.472 0.000) 1.472 3.217 ( 0.000 -0.471 0.000) 0.471 3.262 ( 0.000 -6.604 0.000) 6.604 3.895 ( 0.000 1.946 0.000) 1.946 4.096 ( 0.000 1.714 0.000) 1.714 4.322 ( 0.000 -7.117 0.000) 7.117 4.391 ( 0.000 -12.825 0.000) 12.825 4.422 ( 0.000 1.509 0.000) 1.509 4.588 ( 0.000 -1.772 0.000) 1.772 4.856 ( 0.000 -0.582 0.000) 0.582 5.795 ( 0.000 -0.248 0.000) 0.248 5.937 ( 0.000 4.667 0.000) 4.667 6.002 ( 0.000 -3.107 0.000) 3.107 6.251 ( 0.000 5.836 0.000) 5.836 6.560 ( 0.000 2.482 0.000) 2.482 6.879 ( 0.000 0.623 0.000) 0.623 7.448 ( 0.000 -2.140 0.000) 2.140 8.314 ( 0.000 2.903 0.000) 2.903 8.356 ( 0.000 -6.320 0.000) 6.320 8.654 ( 0.000 -0.752 0.000) 0.752 9.416 ( 0.000 3.057 0.000) 3.057 9.962 ( 0.000 -3.136 0.000) 3.136======================= Grid point 8 (6/100) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.519 ( 7.720 16.485 3.583) 18.552 0.633 ( 13.910 14.551 3.463) 20.426 1.016 ( 7.975 18.038 3.706) 20.067 1.307 ( 10.336 14.434 3.066) 18.016 1.588 ( -2.557 4.199 -0.813) 4.983 1.825 ( -1.140 2.455 -8.647) 9.061 2.065 ( -1.815 -1.730 -0.276) 2.523 2.241 ( 0.948 -6.244 0.929) 6.383 2.377 ( -8.677 0.721 4.675) 9.883 2.460 ( 0.781 5.416 -1.842) 5.774 2.624 ( 1.326 4.057 4.515) 6.213 2.787 ( -3.335 -2.911 -4.770) 6.507 2.866 ( 3.215 -1.463 -4.392) 5.636 3.093 ( 0.468 3.899 -0.700) 3.989 3.151 ( -3.627 -0.899 2.190) 4.331 3.183 ( 1.115 -3.073 1.814) 3.738 3.289 ( 0.673 -4.104 -0.413) 4.179 3.866 ( -3.420 1.408 -0.571) 3.742 4.027 ( -4.852 8.595 0.638) 9.891 4.208 ( -6.418 -2.338 0.067) 6.831 4.375 ( 3.972 -7.295 0.709) 8.336 4.445 ( 2.223 -13.832 -1.619) 14.103 4.814 ( -1.622 -0.005 -1.484) 2.199 5.013 ( 19.427 -15.728 1.616) 25.048 5.796 ( 0.254 -0.199 -0.284) 0.430 5.933 ( -0.341 4.664 -0.115) 4.677 6.004 ( -0.051 -3.033 1.310) 3.305 6.255 ( 0.627 5.768 -1.631) 6.027 6.557 ( -0.308 2.834 0.561) 2.906 6.922 ( 3.974 0.296 -2.550) 4.731 7.432 ( 0.401 5.270 -10.401) 11.667 8.273 ( -7.780 4.275 -0.267) 8.881 8.344 ( -3.032 -3.220 7.314) 8.547 8.410 ( -10.444 7.218 -0.971) 12.733 9.407 ( -0.861 2.737 0.341) 2.889 9.653 ( -13.890 9.909 -1.413) 17.121======================= Grid point 9 (7/100) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.727 ( 9.974 11.167 4.164) 15.541 0.959 ( 14.372 5.783 4.196) 16.050 1.121 ( 3.061 7.105 0.831) 7.780 1.454 ( -0.494 2.960 -1.149) 3.214 1.551 ( -3.102 6.517 -3.198) 7.895 1.877 ( 9.300 8.406 -0.222) 12.538 2.039 ( 1.797 6.886 1.132) 7.206 2.196 ( -6.233 -8.643 1.575) 10.771 2.283 ( -2.770 -4.163 7.378) 8.913 2.457 ( 1.936 4.348 -4.940) 6.860 2.660 ( 0.343 -4.576 -7.738) 8.996 2.690 ( -1.817 0.922 1.022) 2.279 2.901 ( -0.456 0.996 -1.189) 1.617 3.086 ( -2.202 2.077 -0.097) 3.029 3.142 ( 3.181 2.014 0.487) 3.796 3.208 ( 1.217 -3.995 0.379) 4.193 3.283 ( -1.373 -3.402 1.591) 3.999 3.699 ( -11.425 4.018 -2.481) 12.362 3.952 ( -2.046 3.041 0.365) 3.683 4.136 ( -1.923 5.557 1.087) 5.980 4.458 ( 2.482 -10.498 4.377) 11.641 4.515 ( 5.624 -9.198 -4.992) 11.881 4.744 ( -3.966 -0.400 -0.754) 4.057 5.312 ( 9.525 -17.318 0.845) 19.782 5.804 ( 0.506 -0.190 -0.252) 0.596 5.925 ( -0.365 4.759 -0.190) 4.777 6.007 ( -0.162 -3.015 1.480) 3.363 6.262 ( 0.558 5.702 -1.574) 5.941 6.553 ( -0.289 3.604 0.792) 3.701 6.999 ( 3.851 1.006 -1.992) 4.451 7.396 ( 0.180 17.722 -11.898) 21.347 8.042 ( -9.929 -2.520 8.112) 13.067 8.315 ( -1.305 2.941 3.201) 4.539 8.358 ( -0.139 -4.679 -1.981) 5.083 9.387 ( -1.032 2.267 0.253) 2.504 9.473 ( -5.274 4.727 -0.009) 7.082======================= Grid point 10 (8/100) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( 5.479 8.551 2.570) 10.476 1.129 ( 1.289 4.100 1.192) 4.460 1.249 ( 7.899 4.985 2.601) 9.696 1.396 ( -5.216 4.347 -4.714) 8.266 1.461 ( -0.329 4.557 -1.559) 4.828 1.916 ( -0.779 -3.298 0.325) 3.404 2.045 ( -6.254 -8.094 0.866) 10.265 2.227 ( 3.865 5.895 2.244) 7.398 2.276 ( 1.797 1.074 5.590) 5.969 2.546 ( 2.057 -1.470 -2.956) 3.889 2.617 ( 8.363 3.231 -9.159) 12.817 2.727 ( 1.460 -4.559 0.243) 4.793 2.833 ( -7.264 3.318 3.496) 8.718 3.039 ( -1.835 0.450 -0.005) 1.889 3.198 ( 1.697 -2.273 -0.045) 2.837 3.232 ( 0.303 -1.130 -0.681) 1.353 3.243 ( -2.643 -1.433 1.830) 3.519 3.495 ( -4.829 7.881 -1.840) 9.424 3.927 ( -0.689 1.095 -0.009) 1.294 4.109 ( -0.964 8.483 0.743) 8.569 4.514 ( 1.483 -9.606 3.050) 10.187 4.602 ( 4.149 -6.387 -5.716) 9.523 4.663 ( -3.758 -2.745 2.210) 5.152 5.438 ( 2.858 -16.612 0.278) 16.858 5.812 ( 0.269 -0.150 -0.093) 0.322 5.918 ( -0.161 4.882 -0.084) 4.885 6.008 ( -0.097 -3.141 0.637) 3.206 6.266 ( 0.200 5.618 -0.620) 5.656 6.551 ( -0.095 4.187 0.386) 4.206 7.054 ( 1.637 1.711 -0.475) 2.415 7.363 ( -0.151 24.310 -5.060) 24.831 7.936 ( -2.881 -13.352 3.469) 14.092 8.306 ( -0.380 3.132 1.014) 3.314 8.352 ( -0.073 -5.199 -0.582) 5.232 9.375 ( -0.031 2.214 0.121) 2.217 9.399 ( -2.142 2.330 0.057) 3.165======================= Grid point 14 (9/100) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 0.000 19.160 0.000) 19.160 0.910 ( 0.000 21.043 0.000) 21.043 1.252 ( 0.000 7.761 0.000) 7.761 1.483 ( 0.000 4.994 0.000) 4.994 1.845 ( 0.000 0.667 0.000) 0.667 1.881 ( 0.000 22.306 0.000) 22.306 2.019 ( 0.000 -4.628 0.000) 4.628 2.108 ( 0.000 -0.238 0.000) 0.238 2.508 ( 0.000 -10.072 0.000) 10.072 2.589 ( 0.000 5.289 0.000) 5.289 2.744 ( 0.000 7.834 0.000) 7.834 2.756 ( 0.000 10.178 0.000) 10.178 2.816 ( 0.000 -2.879 0.000) 2.879 3.108 ( 0.000 -3.088 0.000) 3.088 3.135 ( 0.000 -2.337 0.000) 2.337 3.209 ( 0.000 -0.006 0.000) 0.006 3.214 ( 0.000 6.399 0.000) 6.399 3.802 ( 0.000 -9.095 0.000) 9.095 4.038 ( 0.000 -21.275 0.000) 21.275 4.117 ( 0.000 -12.845 0.000) 12.845 4.217 ( 0.000 7.859 0.000) 7.859 4.478 ( 0.000 4.114 0.000) 4.114 4.537 ( 0.000 -3.180 0.000) 3.180 4.813 ( 0.000 -3.605 0.000) 3.605 5.798 ( 0.000 0.664 0.000) 0.664 5.936 ( 0.000 -3.317 0.000) 3.317 6.058 ( 0.000 6.824 0.000) 6.824 6.341 ( 0.000 1.867 0.000) 1.867 6.634 ( 0.000 4.699 0.000) 4.699 6.898 ( 0.000 0.405 0.000) 0.405 7.438 ( 0.000 2.891 0.000) 2.891 8.171 ( 0.000 -11.593 0.000) 11.593 8.392 ( 0.000 4.420 0.000) 4.420 8.625 ( 0.000 -2.088 0.000) 2.088 9.501 ( 0.000 5.179 0.000) 5.179 9.873 ( 0.000 -5.415 0.000) 5.415======================= Grid point 15 (10/100) =======================q-point: ( 0.14 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 3.496 17.750 2.730) 18.296 0.982 ( 6.319 18.079 2.614) 19.329 1.261 ( 0.814 8.435 0.623) 8.497 1.499 ( 0.862 2.838 2.253) 3.724 1.774 ( -4.259 5.603 0.255) 7.043 1.935 ( -0.255 2.479 -1.000) 2.685 2.042 ( 3.078 -3.922 1.822) 5.308 2.164 ( 5.945 10.765 -0.507) 12.308 2.417 ( -13.195 3.854 2.616) 13.993 2.507 ( -0.186 -8.996 -3.851) 9.788 2.602 ( -2.503 5.624 -9.865) 11.628 2.778 ( -4.965 -0.087 7.305) 8.833 2.923 ( 5.976 5.193 -3.385) 8.610 3.119 ( -0.268 -1.205 2.308) 2.618 3.133 ( -0.376 -1.996 -0.486) 2.088 3.195 ( 0.640 4.287 3.261) 5.424 3.247 ( 1.960 3.869 -2.663) 5.090 3.796 ( -0.482 -6.929 -1.732) 7.158 4.069 ( 3.428 -19.495 -1.526) 19.853 4.123 ( -1.433 -10.766 2.246) 11.091 4.237 ( 0.080 8.474 2.233) 8.764 4.295 ( -3.753 2.462 -3.633) 5.774 4.780 ( -0.365 -3.362 -0.706) 3.455 4.786 ( 9.793 -8.687 0.485) 13.100 5.801 ( 0.282 0.703 -0.111) 0.765 5.937 ( -0.110 -3.265 1.406) 3.557 6.056 ( -0.096 6.857 -0.651) 6.888 6.345 ( 0.561 1.818 -1.693) 2.547 6.641 ( 0.529 5.288 0.863) 5.384 6.940 ( 3.907 0.442 -0.540) 3.969 7.457 ( 1.908 2.094 -0.430) 2.866 8.163 ( -1.256 -11.267 1.343) 11.417 8.373 ( -1.911 4.343 -1.017) 4.853 8.511 ( -9.558 1.959 -1.028) 9.811 9.483 ( -1.704 4.522 0.313) 4.843 9.737 ( -10.041 -0.419 -1.123) 10.112======================= Grid point 16 (11/100) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 6.724 14.279 3.968) 16.274 1.145 ( 7.043 11.176 2.631) 13.469 1.292 ( 2.238 9.510 0.689) 9.794 1.526 ( 1.018 3.785 2.037) 4.417 1.666 ( -5.559 4.326 -3.885) 8.044 1.899 ( -2.518 -2.178 1.414) 3.617 2.032 ( -7.501 -6.725 0.439) 10.084 2.153 ( -3.767 -8.109 4.616) 10.062 2.390 ( 2.144 12.379 0.666) 12.581 2.476 ( 2.836 -2.074 -4.278) 5.536 2.524 ( -1.249 -1.048 -5.583) 5.817 2.732 ( 0.264 3.799 3.006) 4.852 2.959 ( 0.249 2.921 -5.116) 5.896 3.114 ( -0.684 -2.252 -0.798) 2.485 3.118 ( -0.847 0.900 -0.128) 1.242 3.228 ( 1.205 5.859 1.797) 6.245 3.294 ( 2.398 5.217 2.738) 6.361 3.747 ( -3.883 0.167 -3.038) 4.933 4.028 ( -5.474 1.692 0.906) 5.800 4.165 ( 5.750 -15.021 -0.662) 16.098 4.261 ( 1.311 -0.398 4.706) 4.901 4.325 ( 4.835 -2.999 -5.367) 7.821 4.689 ( -5.479 -4.567 -0.701) 7.167 4.996 ( 7.665 -13.618 0.307) 15.630 5.809 ( 0.507 0.736 -0.040) 0.894 5.940 ( -0.175 -3.189 1.770) 3.651 6.050 ( -0.191 6.950 -0.833) 7.002 6.350 ( 0.558 1.755 -1.941) 2.675 6.659 ( 0.756 6.627 1.084) 6.757 7.034 ( 4.796 1.261 -0.607) 4.996 7.513 ( 3.866 -0.411 -1.319) 4.105 8.086 ( -8.976 -2.356 2.569) 9.629 8.261 ( -5.101 1.404 -2.669) 5.926 8.379 ( -2.266 2.257 0.235) 3.207 9.444 ( -1.817 3.274 0.415) 3.767 9.551 ( -6.892 2.211 -0.507) 7.256======================= Grid point 17 (12/100) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 5.085 13.525 2.197) 14.615 1.240 ( 1.741 6.195 2.286) 6.829 1.362 ( 2.728 6.474 -0.228) 7.029 1.543 ( -3.794 7.970 -2.812) 9.264 1.560 ( 1.879 5.927 -0.190) 6.221 1.833 ( -3.319 -4.491 0.771) 5.637 1.876 ( -5.352 -7.370 0.556) 9.126 2.121 ( -1.304 -7.820 2.203) 8.228 2.370 ( -0.158 -8.702 0.934) 8.753 2.445 ( -1.425 -8.856 -5.502) 10.523 2.580 ( 1.011 7.644 2.552) 8.122 2.808 ( 2.988 0.826 1.222) 3.332 2.979 ( 3.944 11.401 -3.947) 12.694 3.079 ( 0.260 1.998 -4.751) 5.161 3.108 ( -1.692 2.322 3.113) 4.236 3.254 ( 0.569 4.055 1.155) 4.255 3.326 ( -0.727 6.270 2.787) 6.900 3.644 ( -3.289 6.219 -2.261) 7.390 3.957 ( -1.620 0.906 -0.012) 1.856 4.261 ( 2.344 -4.165 -0.210) 4.784 4.292 ( 0.770 -3.789 3.553) 5.251 4.428 ( 6.632 -8.119 -4.835) 11.545 4.559 ( -6.890 -6.446 1.153) 9.506 5.101 ( 2.480 -15.691 0.066) 15.886 5.818 ( 0.267 0.711 0.006) 0.760 5.942 ( -0.086 -3.170 0.822) 3.276 6.044 ( -0.121 7.075 -0.395) 7.087 6.353 ( 0.208 1.739 -0.812) 1.931 6.674 ( 0.360 7.699 0.484) 7.722 7.110 ( 2.171 2.597 -0.171) 3.390 7.604 ( 4.888 -6.602 -1.655) 8.380 7.873 ( -8.946 11.837 1.559) 14.919 8.215 ( -0.456 -6.236 -0.433) 6.268 8.352 ( -0.637 1.209 0.004) 1.366 9.423 ( -0.110 2.455 0.336) 2.481 9.451 ( -2.874 2.251 -0.258) 3.659======================= Grid point 21 (13/100) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 0.000 12.703 0.000) 12.703 1.300 ( 0.000 16.432 0.000) 16.432 1.317 ( 0.000 -1.661 0.000) 1.661 1.514 ( 0.000 -2.688 0.000) 2.688 1.864 ( 0.000 -4.667 0.000) 4.667 1.880 ( 0.000 -1.235 0.000) 1.235 1.945 ( 0.000 3.173 0.000) 3.173 2.161 ( 0.000 -13.615 0.000) 13.615 2.645 ( 0.000 15.588 0.000) 15.588 2.698 ( 0.000 13.760 0.000) 13.760 2.742 ( 0.000 -3.582 0.000) 3.582 2.933 ( 0.000 2.408 0.000) 2.408 2.950 ( 0.000 9.357 0.000) 9.357 3.027 ( 0.000 -3.645 0.000) 3.645 3.119 ( 0.000 3.120 0.000) 3.120 3.235 ( 0.000 2.012 0.000) 2.012 3.389 ( 0.000 6.101 0.000) 6.101 3.561 ( 0.000 -22.662 0.000) 22.662 3.629 ( 0.000 -2.624 0.000) 2.624 3.824 ( 0.000 -15.010 0.000) 15.010 4.360 ( 0.000 5.871 0.000) 5.871 4.461 ( 0.000 -4.282 0.000) 4.282 4.587 ( 0.000 6.286 0.000) 6.286 4.715 ( 0.000 -5.851 0.000) 5.851 5.823 ( 0.000 1.819 0.000) 1.819 5.872 ( 0.000 -2.862 0.000) 2.862 6.200 ( 0.000 6.739 0.000) 6.739 6.315 ( 0.000 -4.041 0.000) 4.041 6.744 ( 0.000 5.917 0.000) 5.917 6.857 ( 0.000 -4.437 0.000) 4.437 7.605 ( 0.000 12.735 0.000) 12.735 7.898 ( 0.000 -14.755 0.000) 14.755 8.484 ( 0.000 4.502 0.000) 4.502 8.568 ( 0.000 -3.541 0.000) 3.541 9.619 ( 0.000 6.274 0.000) 6.274 9.750 ( 0.000 -6.423 0.000) 6.423======================= Grid point 22 (14/100) =======================q-point: ( 0.14 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 1.493 11.584 1.896) 11.833 1.286 ( 0.594 5.873 -0.260) 5.909 1.397 ( 4.642 8.773 5.419) 11.308 1.541 ( 1.780 -0.084 3.580) 3.999 1.812 ( -3.701 -1.542 -1.043) 4.143 1.869 ( -2.098 -7.623 1.503) 8.048 1.933 ( -0.619 4.340 0.390) 4.401 2.136 ( -3.107 -12.921 -1.566) 13.382 2.506 ( -10.698 5.316 -2.474) 12.199 2.607 ( -10.313 -3.945 -5.887) 12.513 2.744 ( 3.833 16.022 0.353) 16.478 2.848 ( -4.726 4.424 0.275) 6.479 2.976 ( 5.799 6.250 -3.767) 9.321 3.091 ( 1.066 -1.874 -1.501) 2.627 3.136 ( -0.571 3.313 1.121) 3.544 3.296 ( 3.937 2.648 7.728) 9.068 3.434 ( 1.916 10.626 2.593) 11.104 3.597 ( 6.647 -15.230 -4.049) 17.104 3.683 ( 4.267 -8.736 -1.238) 9.801 3.832 ( 0.853 -15.442 -0.857) 15.489 4.375 ( 0.556 4.876 -0.766) 4.968 4.402 ( -3.499 4.092 -0.411) 5.400 4.651 ( 3.789 -3.142 -0.289) 4.930 4.691 ( -1.396 -4.874 -0.583) 5.104 5.826 ( 0.241 1.819 0.238) 1.850 5.874 ( 0.085 -2.823 0.762) 2.925 6.199 ( 0.111 6.841 -1.078) 6.926 6.316 ( 0.422 -4.154 -1.654) 4.491 6.765 ( 1.696 6.645 1.219) 6.966 6.892 ( 3.099 -5.111 1.080) 6.074 7.608 ( 0.216 12.246 0.383) 12.254 7.894 ( -0.471 -14.520 0.639) 14.542 8.457 ( -2.529 3.590 -0.789) 4.462 8.511 ( -4.995 -1.562 -0.948) 5.319 9.583 ( -3.162 5.154 0.068) 6.047 9.682 ( -5.669 -4.261 -0.406) 7.103======================= Grid point 23 (15/100) =======================q-point: ( 0.29 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 3.531 8.964 3.469) 10.240 1.315 ( 1.773 3.176 0.638) 3.693 1.519 ( 4.272 12.014 5.005) 13.698 1.602 ( 2.707 3.147 4.654) 6.237 1.716 ( -4.805 1.112 -1.840) 5.264 1.826 ( -2.062 -7.028 0.929) 7.383 1.927 ( -1.284 -2.111 2.166) 3.286 1.992 ( -8.650 -6.238 -2.116) 10.872 2.302 ( -7.449 -2.888 -4.164) 9.009 2.360 ( -9.750 -6.579 -3.890) 12.388 2.763 ( -3.141 5.244 -0.491) 6.132 2.793 ( -0.363 1.155 -0.780) 1.440 3.087 ( 1.056 1.614 -2.698) 3.317 3.110 ( 0.829 -1.249 0.964) 1.782 3.146 ( 7.378 15.822 -1.107) 17.493 3.378 ( 2.383 -0.673 0.378) 2.505 3.483 ( 1.579 17.052 6.107) 18.181 3.720 ( 3.962 -1.553 -3.868) 5.751 3.817 ( 8.586 -13.950 -1.123) 16.419 3.853 ( 2.230 -17.103 0.280) 17.250 4.294 ( -4.512 6.711 -1.690) 8.261 4.398 ( -0.515 0.061 -0.708) 0.877 4.616 ( -3.042 0.864 -0.672) 3.233 4.754 ( 3.811 -10.181 -0.031) 10.871 5.834 ( 0.354 1.727 0.378) 1.803 5.879 ( 0.076 -2.685 0.997) 2.865 6.197 ( 0.072 7.076 -1.308) 7.196 6.319 ( 0.454 -4.381 -1.984) 4.831 6.814 ( 2.255 8.340 1.510) 8.771 6.977 ( 4.239 -6.741 1.294) 8.068 7.614 ( 0.170 10.844 0.479) 10.856 7.880 ( -1.241 -13.507 0.992) 13.600 8.362 ( -6.223 4.216 -1.955) 7.766 8.404 ( -3.777 -0.127 -0.459) 3.807 9.512 ( -3.260 3.094 0.151) 4.497 9.559 ( -5.320 -1.240 -0.250) 5.468======================= Grid point 24 (16/100) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( 1.237 4.195 0.933) 4.472 1.364 ( 5.617 4.390 3.383) 7.891 1.535 ( -4.837 10.278 -1.991) 11.533 1.630 ( 1.427 1.701 0.886) 2.391 1.714 ( 3.699 1.954 3.353) 5.361 1.767 ( -6.392 2.562 -2.105) 7.201 1.796 ( -2.948 -0.155 0.490) 2.992 1.949 ( -0.286 -8.606 1.564) 8.752 2.160 ( -3.581 -6.530 -1.454) 7.588 2.229 ( -2.705 -10.492 -2.555) 11.133 2.709 ( -1.438 3.619 -0.541) 3.932 2.764 ( -1.165 -2.589 -0.815) 2.954 3.096 ( 0.377 1.110 0.173) 1.184 3.104 ( -0.372 0.872 -0.053) 0.950 3.310 ( 5.024 11.327 1.300) 12.459 3.417 ( 2.350 2.227 -4.808) 5.797 3.522 ( -0.142 18.125 5.498) 18.941 3.758 ( 1.663 6.351 -4.038) 7.707 3.850 ( -0.966 -12.207 2.537) 12.505 4.013 ( 6.730 -15.556 -0.664) 16.962 4.220 ( -1.692 1.850 -0.819) 2.638 4.343 ( -3.521 -7.454 -0.627) 8.268 4.575 ( -0.738 9.323 -0.107) 9.353 4.808 ( 1.370 -13.038 -0.054) 13.110 5.841 ( 0.171 1.587 0.195) 1.608 5.883 ( 0.029 -2.544 0.468) 2.587 6.194 ( 0.004 7.282 -0.569) 7.304 6.320 ( 0.180 -4.550 -0.854) 4.633 6.855 ( 1.039 9.784 0.667) 9.861 7.052 ( 2.100 -8.385 0.575) 8.663 7.617 ( 0.025 9.178 0.202) 9.181 7.855 ( -1.110 -11.193 0.514) 11.260 8.253 ( -2.801 6.701 -0.893) 7.318 8.346 ( -1.529 -2.141 -0.260) 2.644 9.466 ( -0.946 1.563 0.141) 1.832 9.479 ( -2.214 0.398 -0.110) 2.252======================= Grid point 49 (17/100) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.326 ( 10.727 0.000 16.013) 19.274 0.449 ( 1.507 0.000 21.065) 21.119 0.669 ( 3.710 0.000 24.138) 24.422 1.256 ( -1.594 0.000 14.211) 14.300 1.562 ( -2.537 0.000 -3.542) 4.357 1.980 ( -13.360 0.000 2.664) 13.623 2.075 ( 0.351 0.000 -5.293) 5.305 2.248 ( -2.878 0.000 -4.674) 5.489 2.399 ( 4.748 0.000 -5.947) 7.610 2.423 ( 3.655 0.000 2.469) 4.411 2.443 ( 4.334 0.000 6.644) 7.932 2.920 ( -2.936 0.000 3.628) 4.667 3.006 ( -10.622 0.000 6.173) 12.286 3.050 ( -0.086 0.000 -0.288) 0.300 3.157 ( 5.624 0.000 -1.302) 5.773 3.277 ( -3.570 0.000 0.754) 3.648 3.305 ( 9.771 0.000 1.329) 9.861 3.829 ( 1.467 0.000 0.181) 1.478 3.931 ( 0.695 0.000 0.224) 0.730 4.343 ( -2.879 0.000 -5.797) 6.473 4.367 ( 1.456 0.000 -2.598) 2.978 4.540 ( 1.297 0.000 0.355) 1.345 4.610 ( -0.298 0.000 0.256) 0.393 4.779 ( 1.957 0.000 -7.959) 8.196 5.873 ( -1.483 0.000 7.205) 7.356 5.954 ( -1.653 0.000 5.387) 5.635 6.055 ( 0.710 0.000 0.898) 1.145 6.375 ( -0.527 0.000 3.555) 3.594 6.606 ( -0.467 0.000 7.480) 7.495 6.936 ( 0.303 0.000 -2.537) 2.555 7.055 ( -11.317 0.000 -5.500) 12.583 8.213 ( 1.023 0.000 -6.598) 6.677 8.473 ( -3.076 0.000 4.749) 5.659 9.239 ( -6.647 0.000 1.208) 6.756 9.327 ( 0.533 0.000 -4.866) 4.895 9.478 ( 0.834 0.000 -0.548) 0.998======================= Grid point 50 (18/100) =======================q-point: ( 0.14 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 10.033 0.000 14.970) 18.021 0.727 ( 15.207 0.000 15.719) 21.871 0.966 ( 12.237 0.000 10.967) 16.433 1.364 ( 7.961 0.000 21.074) 22.528 1.462 ( -4.900 0.000 -5.016) 7.012 1.745 ( -8.310 0.000 2.884) 8.796 2.038 ( -1.863 0.000 -5.650) 5.949 2.243 ( 3.220 0.000 -5.882) 6.706 2.426 ( 2.418 0.000 -3.900) 4.589 2.537 ( 1.272 0.000 4.937) 5.098 2.544 ( 3.845 0.000 4.478) 5.903 2.745 ( -14.291 0.000 2.419) 14.494 2.862 ( -2.271 0.000 -0.658) 2.365 3.051 ( 0.341 0.000 0.739) 0.814 3.181 ( -2.674 0.000 0.054) 2.674 3.297 ( 4.224 0.000 2.233) 4.777 3.390 ( -1.053 0.000 2.557) 2.766 3.808 ( -5.475 0.000 0.461) 5.494 3.936 ( -0.289 0.000 0.369) 0.469 4.153 ( -6.422 0.000 -6.007) 8.793 4.416 ( 3.869 0.000 -3.900) 5.494 4.634 ( 2.327 0.000 1.447) 2.740 4.654 ( -0.198 0.000 -9.201) 9.203 5.009 ( 21.081 0.000 -14.395) 25.527 5.875 ( -0.800 0.000 7.068) 7.113 5.935 ( -1.921 0.000 4.658) 5.038 6.069 ( 0.170 0.000 1.300) 1.311 6.348 ( -3.046 0.000 6.781) 7.434 6.616 ( -1.342 0.000 8.424) 8.530 6.947 ( 1.578 0.000 -2.714) 3.139 6.964 ( 1.830 0.000 3.666) 4.097 8.203 ( 0.388 0.000 -6.668) 6.680 8.378 ( -8.533 0.000 4.526) 9.659 8.809 ( -20.662 0.000 17.493) 27.073 9.316 ( 0.170 0.000 -4.807) 4.810 9.467 ( -1.721 0.000 -0.568) 1.812======================= Grid point 51 (19/100) =======================q-point: ( 0.29 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 10.111 0.000 13.626) 16.967 1.089 ( 13.157 0.000 10.707) 16.963 1.091 ( -0.332 0.000 4.038) 4.052 1.360 ( -2.157 0.000 -3.354) 3.988 1.500 ( -5.678 0.000 9.339) 10.930 1.879 ( 19.189 0.000 12.963) 23.157 1.968 ( -2.426 0.000 -5.807) 6.293 2.296 ( 3.289 0.000 -5.214) 6.165 2.437 ( -7.245 0.000 -6.902) 10.006 2.444 ( -10.173 0.000 6.184) 11.905 2.514 ( -1.314 0.000 4.515) 4.702 2.647 ( 5.518 0.000 -0.766) 5.571 2.877 ( 2.775 0.000 -0.626) 2.845 3.071 ( 0.791 0.000 2.483) 2.606 3.151 ( 0.182 0.000 -0.164) 0.245 3.351 ( -3.262 0.000 3.583) 4.845 3.367 ( 1.259 0.000 3.701) 3.909 3.583 ( -14.169 0.000 -2.738) 14.431 3.929 ( -0.359 0.000 0.308) 0.474 4.055 ( -2.954 0.000 -1.588) 3.353 4.476 ( 3.543 0.000 -7.576) 8.364 4.591 ( -1.328 0.000 -9.571) 9.663 4.708 ( 3.331 0.000 3.839) 5.082 5.301 ( 12.439 0.000 -16.789) 20.895 5.889 ( -0.475 0.000 7.376) 7.391 5.913 ( -1.535 0.000 4.032) 4.315 6.070 ( -0.456 0.000 1.007) 1.105 6.322 ( -2.065 0.000 8.188) 8.444 6.613 ( -1.978 0.000 8.952) 9.168 6.974 ( 1.871 0.000 -2.897) 3.448 7.083 ( 6.453 0.000 8.778) 10.895 8.183 ( -9.867 0.000 2.340) 10.141 8.186 ( 0.292 0.000 -6.492) 6.498 8.619 ( -6.182 0.000 12.474) 13.922 9.304 ( 0.369 0.000 -4.319) 4.335 9.411 ( -2.980 0.000 -1.536) 3.353======================= Grid point 52 (20/100) =======================q-point: ( 0.43 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -4.400 0.000 -1.711) 4.721 1.127 ( 5.088 0.000 17.931) 18.638 1.215 ( -0.779 0.000 -0.915) 1.202 1.425 ( -1.961 0.000 7.052) 7.319 1.441 ( 5.851 0.000 7.800) 9.750 1.926 ( 0.561 0.000 -3.646) 3.688 2.173 ( -0.196 0.000 1.312) 1.327 2.197 ( -8.375 0.000 -4.675) 9.592 2.289 ( -7.217 0.000 4.515) 8.513 2.447 ( 15.663 0.000 2.380) 15.843 2.587 ( 4.731 0.000 0.626) 4.772 2.736 ( 1.503 0.000 -0.253) 1.524 2.935 ( 2.453 0.000 3.799) 4.522 3.052 ( -5.907 0.000 -0.433) 5.923 3.178 ( 1.803 0.000 -0.750) 1.952 3.256 ( -5.417 0.000 2.718) 6.060 3.366 ( -2.662 0.000 -0.580) 2.725 3.378 ( -1.244 0.000 4.408) 4.581 3.923 ( -0.340 0.000 -0.038) 0.342 3.987 ( -2.672 0.000 -1.802) 3.223 4.500 ( 1.722 0.000 -9.591) 9.744 4.558 ( 1.344 0.000 -7.805) 7.920 4.775 ( 1.247 0.000 4.507) 4.677 5.420 ( 5.324 0.000 -16.268) 17.117 5.905 ( -0.766 0.000 7.970) 8.006 5.905 ( -0.585 0.000 4.082) 4.123 6.059 ( -0.820 0.000 0.229) 0.851 6.316 ( -1.413 0.000 7.741) 7.869 6.599 ( -2.429 0.000 8.599) 8.936 6.997 ( 1.217 0.000 -2.913) 3.157 7.277 ( 7.586 0.000 18.119) 19.643 8.009 ( -6.803 0.000 -5.055) 8.476 8.173 ( 0.799 0.000 -6.217) 6.268 8.570 ( -3.223 0.000 10.169) 10.668 9.304 ( 1.033 0.000 -3.550) 3.697 9.349 ( -1.885 0.000 -2.936) 3.489======================= Grid point 53 (21/100) =======================q-point: (-0.43 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -8.279 0.000 2.650) 8.693 1.150 ( -6.407 0.000 -0.049) 6.408 1.168 ( -5.646 0.000 11.265) 12.601 1.501 ( -1.346 0.000 6.698) 6.832 1.522 ( 5.902 0.000 8.464) 10.318 1.939 ( 1.039 0.000 -1.316) 1.677 2.027 ( -11.076 0.000 -2.358) 11.325 2.122 ( 2.201 0.000 -9.245) 9.503 2.241 ( 2.112 0.000 7.412) 7.707 2.611 ( -10.796 0.000 5.536) 12.132 2.689 ( 4.929 0.000 -0.451) 4.950 2.710 ( 2.461 0.000 2.010) 3.177 2.958 ( 1.978 0.000 -4.327) 4.757 3.011 ( 3.020 0.000 5.334) 6.129 3.185 ( -1.594 0.000 2.320) 2.815 3.219 ( -1.460 0.000 -1.461) 2.066 3.371 ( -0.542 0.000 3.721) 3.760 3.429 ( 8.615 0.000 3.275) 9.216 3.913 ( -0.461 0.000 -0.757) 0.887 3.961 ( 1.295 0.000 -3.211) 3.462 4.479 ( -0.194 0.000 -9.801) 9.803 4.588 ( 3.923 0.000 -6.556) 7.640 4.780 ( -2.319 0.000 4.118) 4.726 5.411 ( -0.548 0.000 -16.001) 16.010 5.911 ( -1.595 0.000 8.451) 8.600 5.919 ( 0.306 0.000 4.796) 4.805 6.042 ( -0.658 0.000 -0.492) 0.822 6.317 ( -1.127 0.000 7.138) 7.226 6.581 ( -2.021 0.000 7.835) 8.092 7.001 ( 0.094 0.000 -2.754) 2.756 7.529 ( 8.247 0.000 32.284) 33.321 7.853 ( -4.899 0.000 -15.208) 15.978 8.175 ( 1.551 0.000 -6.078) 6.272 8.548 ( -2.399 0.000 9.069) 9.381 9.311 ( 0.547 0.000 -3.712) 3.752 9.333 ( 1.882 0.000 -3.054) 3.587======================= Grid point 54 (22/100) =======================q-point: (-0.29 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( -9.411 0.000 10.320) 13.966 0.916 ( -16.218 0.000 4.550) 16.844 0.999 ( -14.106 0.000 -0.264) 14.108 1.490 ( -12.559 0.000 4.816) 13.451 1.524 ( 2.157 0.000 3.018) 3.710 1.927 ( 3.463 0.000 13.521) 13.957 1.983 ( 3.941 0.000 -3.784) 5.463 2.155 ( 3.834 0.000 -4.513) 5.921 2.373 ( 5.704 0.000 2.903) 6.400 2.426 ( -7.293 0.000 2.408) 7.680 2.622 ( -8.552 0.000 -1.368) 8.661 2.786 ( 4.498 0.000 1.867) 4.870 3.019 ( 2.696 0.000 -0.299) 2.712 3.054 ( 0.283 0.000 -3.701) 3.711 3.172 ( -1.419 0.000 12.369) 12.450 3.183 ( -0.951 0.000 -2.264) 2.456 3.372 ( -0.885 0.000 2.314) 2.477 3.666 ( 10.515 0.000 0.507) 10.527 3.905 ( 0.108 0.000 -1.076) 1.081 4.017 ( 5.925 0.000 -4.529) 7.457 4.431 ( -1.153 0.000 -8.293) 8.373 4.664 ( 5.406 0.000 -6.784) 8.674 4.718 ( -4.464 0.000 3.193) 5.489 5.275 ( -7.474 0.000 -16.574) 18.181 5.901 ( -2.225 0.000 8.370) 8.661 5.945 ( 0.191 0.000 5.510) 5.514 6.032 ( -0.009 0.000 -0.592) 0.592 6.324 ( -0.469 0.000 6.670) 6.687 6.576 ( -1.024 0.000 7.171) 7.243 6.982 ( -0.886 0.000 -2.570) 2.718 7.639 ( -8.391 0.000 -6.981) 10.915 7.931 ( 17.230 0.000 31.305) 35.734 8.191 ( 1.983 0.000 -6.147) 6.459 8.533 ( -1.977 0.000 8.075) 8.314 9.316 ( 1.319 0.000 -4.312) 4.509 9.380 ( 3.250 0.000 -2.193) 3.921======================= Grid point 55 (23/100) =======================q-point: (-0.14 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( -21.813 0.000 3.232) 22.051 0.582 ( -16.891 0.000 12.158) 20.812 0.652 ( -9.237 0.000 12.983) 15.933 1.299 ( -7.348 0.000 12.027) 14.094 1.577 ( 1.605 0.000 -0.414) 1.658 2.052 ( 3.705 0.000 -5.443) 6.585 2.080 ( 2.680 0.000 11.633) 11.937 2.253 ( 6.666 0.000 -1.159) 6.766 2.334 ( -1.941 0.000 2.061) 2.831 2.427 ( -7.926 0.000 -2.809) 8.410 2.429 ( 0.041 0.000 -2.748) 2.748 2.895 ( 3.690 0.000 6.379) 7.370 3.049 ( 0.419 0.000 -0.100) 0.431 3.052 ( 1.873 0.000 -3.517) 3.985 3.161 ( -4.531 0.000 8.911) 9.997 3.172 ( 0.889 0.000 1.168) 1.468 3.343 ( -2.647 0.000 1.546) 3.065 3.793 ( 2.758 0.000 -0.989) 2.930 3.913 ( 0.907 0.000 -0.526) 1.049 4.184 ( 10.870 0.000 -5.876) 12.357 4.380 ( -1.063 0.000 -5.122) 5.231 4.643 ( -3.119 0.000 1.528) 3.474 4.733 ( 2.694 0.000 -8.895) 9.294 4.957 ( -17.823 0.000 -14.293) 22.846 5.884 ( -2.116 0.000 7.780) 8.062 5.960 ( -0.771 0.000 5.738) 5.789 6.038 ( 0.646 0.000 0.035) 0.647 6.349 ( 0.737 0.000 5.371) 5.421 6.588 ( -0.400 0.000 6.966) 6.977 6.952 ( -0.885 0.000 -2.484) 2.637 7.375 ( -12.338 0.000 -18.083) 21.891 8.208 ( 1.740 0.000 -6.363) 6.597 8.483 ( 3.538 0.000 11.056) 11.608 8.660 ( 31.168 0.000 38.068) 49.200 9.327 ( 1.129 0.000 -4.620) 4.756 9.441 ( 2.904 0.000 -1.295) 3.180======================= Grid point 56 (24/100) =======================q-point: ( 0.00 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 3.334 18.603 8.670) 20.793 0.641 ( 0.905 12.939 14.294) 19.302 0.996 ( 3.142 23.036 9.286) 25.035 1.354 ( 0.608 9.923 13.450) 16.726 1.584 ( -0.333 3.300 -2.623) 4.228 1.948 ( -10.365 -0.377 7.201) 12.627 2.051 ( 0.149 -2.562 -4.111) 4.847 2.221 ( -0.472 -3.198 -1.643) 3.626 2.368 ( 3.321 0.807 -4.962) 6.025 2.460 ( -1.218 2.661 -2.363) 3.761 2.558 ( 7.188 6.298 -0.466) 9.568 2.884 ( -5.882 -4.778 5.832) 9.563 2.970 ( -6.216 -1.071 5.237) 8.198 3.095 ( -0.700 3.568 -1.082) 3.793 3.155 ( 4.018 0.338 0.540) 4.068 3.218 ( 5.107 -5.819 2.399) 8.105 3.249 ( -3.515 -1.961 0.593) 4.068 3.860 ( 0.614 -0.599 -2.648) 2.784 4.013 ( 1.501 4.633 -3.790) 6.171 4.289 ( 2.533 -4.062 -3.742) 6.076 4.376 ( -7.323 -4.228 -2.240) 8.748 4.408 ( 3.487 -6.532 -0.132) 7.405 4.588 ( 2.178 -1.779 -0.060) 2.813 4.798 ( 0.294 0.392 -5.308) 5.330 5.878 ( -1.644 0.558 7.633) 7.828 5.998 ( -1.037 3.644 5.049) 6.313 6.047 ( 0.469 -0.732 2.415) 2.567 6.391 ( -1.883 3.925 8.472) 9.525 6.621 ( -0.595 1.971 6.717) 7.026 6.917 ( -2.103 -2.086 0.726) 3.050 7.270 ( -2.248 11.404 -11.028) 16.023 8.232 ( 0.918 1.650 -6.859) 7.115 8.431 ( -1.998 -4.225 4.975) 6.826 8.831 ( -2.580 -16.331 10.857) 19.780 9.373 ( 1.082 2.386 -4.101) 4.867 9.711 ( -0.343 5.444 -14.181) 15.194======================= Grid point 57 (25/100) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 8.400 10.840 10.854) 17.489 0.804 ( 10.202 9.156 12.973) 18.874 1.122 ( 3.399 10.094 5.962) 12.206 1.457 ( 0.516 4.685 2.689) 5.426 1.636 ( 7.915 19.601 13.096) 24.866 1.757 ( -6.905 1.194 2.236) 7.355 2.026 ( -0.764 -1.190 -4.485) 4.703 2.216 ( 1.170 -2.506 -4.290) 5.104 2.399 ( 1.465 -1.425 -3.839) 4.349 2.440 ( -0.886 -2.496 1.711) 3.154 2.640 ( -7.858 -4.318 -2.819) 9.399 2.756 ( 0.254 5.259 5.529) 7.635 2.871 ( -3.310 0.926 0.521) 3.476 3.077 ( -0.310 2.399 -0.405) 2.452 3.162 ( -2.489 -2.163 -0.803) 3.394 3.216 ( 0.539 -4.386 2.669) 5.162 3.345 ( 3.174 -2.440 5.153) 6.525 3.827 ( -4.261 -1.160 -2.511) 5.080 4.022 ( -1.688 6.621 -0.849) 6.886 4.153 ( -5.322 1.688 -3.381) 6.527 4.329 ( 2.443 -9.854 -4.747) 11.207 4.455 ( 2.597 -8.832 0.856) 9.246 4.744 ( -0.303 1.900 -4.100) 4.529 4.904 ( 16.638 -7.767 -7.910) 19.993 5.877 ( -1.069 0.415 7.461) 7.549 5.988 ( -1.594 4.648 4.687) 6.790 6.062 ( 0.004 -1.224 2.460) 2.748 6.378 ( -2.239 4.009 9.262) 10.338 6.631 ( -0.875 2.183 7.348) 7.715 6.935 ( 3.480 -1.349 1.449) 4.003 7.218 ( 0.366 15.571 -8.485) 17.736 8.211 ( -1.015 1.092 -6.196) 6.373 8.371 ( -5.943 -1.175 2.435) 6.529 8.655 ( -12.989 -10.436 13.367) 21.362 9.364 ( -0.344 2.792 -4.579) 5.374 9.554 ( -6.539 5.405 -6.171) 10.490======================= Grid point 58 (26/100) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( 8.512 6.658 11.082) 15.479 1.095 ( 11.669 3.073 7.916) 14.432 1.166 ( 0.158 6.288 5.336) 8.248 1.408 ( -2.469 5.249 -2.487) 6.311 1.572 ( -7.470 4.383 5.910) 10.485 1.931 ( 0.768 0.150 -0.525) 0.942 2.090 ( 14.077 14.702 6.748) 21.444 2.224 ( -0.621 -7.394 -0.446) 7.433 2.371 ( -2.716 -2.287 -0.658) 3.611 2.404 ( -9.040 -2.837 -3.073) 9.961 2.465 ( 2.232 -3.572 -0.209) 4.217 2.714 ( -2.936 1.253 -1.265) 3.433 2.914 ( 3.424 3.158 1.348) 4.849 3.070 ( -1.518 -0.652 0.436) 1.709 3.143 ( 2.049 -0.835 -1.198) 2.516 3.231 ( 0.035 -7.287 2.557) 7.723 3.388 ( -0.677 2.399 7.013) 7.443 3.632 ( -12.157 3.326 -3.417) 13.059 3.960 ( -2.245 3.080 0.537) 3.849 4.130 ( 0.373 5.621 -1.220) 5.764 4.386 ( 4.954 -9.055 -7.232) 12.603 4.494 ( 0.662 -6.609 -2.454) 7.081 4.720 ( -0.019 -0.712 -0.064) 0.715 5.164 ( 10.997 -10.829 -11.003) 18.954 5.887 ( -0.684 0.223 7.662) 7.696 5.971 ( -1.421 4.962 4.108) 6.596 6.061 ( -0.843 -1.213 2.209) 2.658 6.372 ( -1.593 4.679 9.097) 10.353 6.635 ( -1.458 2.585 7.790) 8.336 7.047 ( 5.152 -0.754 4.137) 6.650 7.223 ( 3.335 15.557 -6.666) 17.251 8.100 ( -9.077 -2.707 0.641) 9.494 8.256 ( -2.486 2.420 -3.563) 4.973 8.529 ( -4.636 -7.711 11.229) 14.389 9.338 ( -0.211 2.501 -4.746) 5.369 9.434 ( -3.991 1.953 -3.493) 5.652======================= Grid point 59 (27/100) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( -2.012 5.426 -3.053) 6.542 1.143 ( 0.493 4.268 13.776) 14.431 1.332 ( 3.821 8.476 3.645) 9.986 1.374 ( 0.781 -0.638 5.132) 5.230 1.516 ( 0.963 3.971 6.163) 7.395 1.898 ( -0.377 -2.650 -2.737) 3.829 2.098 ( -7.226 -8.304 1.058) 11.059 2.196 ( -4.998 -5.195 -2.280) 7.561 2.277 ( -3.066 5.646 -4.449) 7.815 2.510 ( 4.846 -4.864 -1.115) 6.957 2.567 ( 14.073 9.309 4.874) 17.563 2.715 ( 2.451 -3.220 -0.785) 4.122 2.951 ( -3.514 0.783 7.641) 8.447 3.007 ( -2.577 -2.004 -2.242) 3.960 3.189 ( 1.317 -1.156 -1.953) 2.624 3.244 ( 0.580 -6.749 2.175) 7.115 3.360 ( -6.926 7.403 6.615) 12.105 3.433 ( -0.281 5.745 -2.100) 6.123 3.932 ( -0.800 1.569 0.516) 1.835 4.113 ( -1.594 9.180 -0.363) 9.324 4.440 ( 0.376 -5.411 -7.872) 9.560 4.498 ( 4.034 -5.850 -5.845) 9.201 4.735 ( -0.091 -4.060 4.094) 5.766 5.282 ( 4.668 -11.413 -11.681) 16.986 5.901 ( -0.844 0.107 8.212) 8.256 5.962 ( -0.812 4.654 3.833) 6.084 6.046 ( -1.232 -1.066 1.690) 2.348 6.375 ( -1.199 5.236 8.355) 9.933 6.627 ( -1.988 2.976 7.544) 8.350 7.112 ( 0.219 4.753 1.120) 4.888 7.356 ( 10.136 9.463 2.832) 14.153 7.913 ( -8.587 -5.759 0.733) 10.365 8.221 ( 0.086 2.646 -5.987) 6.546 8.497 ( -2.528 -6.488 9.387) 11.687 9.328 ( 0.887 1.930 -4.355) 4.845 9.358 ( -1.882 0.915 -3.837) 4.371======================= Grid point 60 (28/100) =======================q-point: (-0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -8.007 6.850 1.654) 10.667 1.150 ( -5.002 3.019 4.880) 7.613 1.261 ( -6.278 5.716 5.894) 10.336 1.489 ( -0.605 0.931 3.171) 3.360 1.575 ( 4.671 3.701 8.023) 9.994 1.894 ( 0.538 -3.897 -1.701) 4.286 2.088 ( 5.875 -5.601 -0.814) 8.157 2.103 ( -2.458 -4.025 -2.884) 5.528 2.168 ( -5.163 7.531 -3.171) 9.666 2.590 ( 3.790 -7.991 -0.783) 8.878 2.702 ( -7.183 5.592 2.394) 9.413 2.768 ( -2.841 0.847 -0.604) 3.025 2.865 ( 5.889 -2.223 6.390) 8.970 3.031 ( 2.055 1.051 1.851) 2.958 3.175 ( -1.308 -1.667 -1.941) 2.874 3.264 ( -0.807 1.362 1.010) 1.878 3.285 ( -0.593 -2.386 3.854) 4.571 3.528 ( 7.787 7.559 2.902) 11.234 3.928 ( 0.193 1.907 0.062) 1.917 4.079 ( -0.791 9.096 -2.160) 9.382 4.394 ( -1.071 -6.896 -7.096) 9.952 4.574 ( 4.038 -2.541 -5.957) 7.632 4.727 ( -2.020 -5.073 4.738) 7.229 5.277 ( -1.194 -11.187 -11.581) 16.146 5.907 ( -1.522 -0.004 8.728) 8.860 5.965 ( -0.243 3.347 3.791) 5.063 6.029 ( -0.818 -0.191 1.593) 1.801 6.381 ( -1.075 5.683 7.703) 9.633 6.612 ( -1.872 3.093 6.951) 7.835 7.096 ( -1.531 5.263 -0.114) 5.482 7.630 ( 13.984 7.105 9.225) 18.197 7.747 ( -7.721 -5.592 -0.234) 9.536 8.210 ( 1.048 2.329 -6.302) 6.799 8.484 ( -1.886 -5.722 8.308) 10.263 9.323 ( 0.489 1.110 -4.595) 4.753 9.357 ( 2.854 1.892 -3.814) 5.125======================= Grid point 61 (29/100) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.800 ( -9.707 6.492 5.965) 13.113 0.944 ( -14.664 6.238 3.287) 16.271 1.148 ( -6.753 9.660 3.553) 12.311 1.460 ( -2.358 -0.208 0.642) 2.453 1.637 ( -2.816 6.580 3.919) 8.160 1.939 ( 4.174 -3.146 -1.257) 5.376 2.048 ( -0.715 11.017 6.329) 12.726 2.140 ( 4.194 -1.558 -3.093) 5.439 2.213 ( 2.604 -8.601 1.332) 9.085 2.537 ( -5.629 5.832 1.689) 8.279 2.636 ( -2.080 -1.641 -0.703) 2.741 2.747 ( 3.415 -3.395 0.446) 4.836 2.976 ( 1.645 -2.400 1.698) 3.369 3.071 ( 1.405 0.937 0.745) 1.846 3.143 ( -1.102 -0.315 0.145) 1.156 3.227 ( -2.557 2.496 4.048) 5.399 3.313 ( 0.722 -4.230 2.515) 4.974 3.730 ( 9.230 4.276 0.828) 10.207 3.942 ( 1.891 3.687 -0.487) 4.172 4.068 ( 0.950 4.441 -5.177) 6.887 4.359 ( -0.175 -6.395 -4.617) 7.890 4.570 ( -3.500 -7.077 -1.210) 7.987 4.733 ( 2.457 -0.511 -0.597) 2.580 5.144 ( -8.002 -10.308 -10.946) 17.033 5.901 ( -2.059 0.123 8.703) 8.944 5.977 ( 0.023 1.519 3.613) 3.920 6.026 ( -0.271 1.209 2.426) 2.724 6.386 ( -1.029 5.797 7.492) 9.529 6.604 ( -1.173 2.740 6.510) 7.160 7.053 ( -2.734 3.175 0.407) 4.210 7.573 ( -6.905 -5.535 -10.346) 13.615 8.021 ( 18.276 7.351 21.429) 29.108 8.219 ( 1.997 2.469 -5.582) 6.422 8.479 ( -1.179 -4.795 7.322) 8.831 9.332 ( 1.778 1.441 -4.799) 5.317 9.431 ( 5.777 3.699 -3.883) 7.882======================= Grid point 62 (30/100) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( -9.856 11.726 4.634) 16.003 0.688 ( -9.694 12.002 10.358) 18.582 1.014 ( -6.235 20.824 3.836) 22.073 1.373 ( -5.603 6.674 8.187) 11.957 1.598 ( -0.739 3.282 0.083) 3.366 2.018 ( 2.914 -2.830 -2.248) 4.643 2.072 ( -2.307 1.294 9.550) 9.910 2.223 ( 0.399 -7.113 -0.435) 7.138 2.279 ( 7.812 1.752 -2.353) 8.344 2.456 ( -1.621 5.226 -1.518) 5.678 2.557 ( -3.823 4.984 -3.615) 7.247 2.871 ( 4.858 -2.014 7.068) 8.810 2.977 ( 0.298 -5.177 0.573) 5.217 3.097 ( 0.991 2.575 -1.221) 3.017 3.140 ( -0.571 -0.050 3.810) 3.853 3.179 ( -3.028 -0.432 2.634) 4.037 3.311 ( -1.832 -2.716 1.033) 3.435 3.842 ( 2.400 0.740 -2.528) 3.564 4.000 ( 1.641 8.139 -1.703) 8.475 4.133 ( 9.154 -2.954 -5.011) 10.846 4.353 ( 0.669 -4.070 -1.473) 4.380 4.472 ( -4.664 -10.911 -0.235) 11.869 4.779 ( 1.151 0.923 -4.142) 4.397 4.866 ( -14.321 -6.465 -7.452) 17.390 5.888 ( -2.048 0.434 8.175) 8.439 5.992 ( -0.029 1.583 4.221) 4.508 6.032 ( -0.025 1.027 2.767) 2.952 6.392 ( -1.122 5.059 7.729) 9.305 6.609 ( -0.637 2.214 6.409) 6.811 6.986 ( -3.898 -0.364 0.865) 4.009 7.397 ( -5.655 1.785 -12.770) 14.080 8.227 ( 1.901 1.437 -6.685) 7.097 8.423 ( 2.735 -5.253 10.063) 11.676 8.594 ( 15.922 -3.509 16.783) 23.398 9.355 ( 1.967 2.182 -4.567) 5.430 9.583 ( 11.056 7.136 -6.715) 14.774======================= Grid point 63 (31/100) =======================q-point: ( 0.00 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 1.602 15.455 6.176) 16.720 0.971 ( 1.658 19.274 5.918) 20.230 1.307 ( -0.334 8.621 4.941) 9.942 1.495 ( 2.162 2.591 0.763) 3.460 1.794 ( 3.151 8.294 -0.896) 8.918 1.977 ( 0.620 -4.384 -3.448) 5.612 2.060 ( -3.141 5.031 10.874) 12.386 2.139 ( -1.178 6.390 3.218) 7.251 2.426 ( -1.100 2.562 -6.666) 7.226 2.475 ( -1.029 -1.465 -6.100) 6.357 2.619 ( 3.066 -0.306 -5.302) 6.132 2.816 ( -6.433 1.719 2.457) 7.097 2.983 ( -2.582 1.701 5.003) 5.881 3.101 ( 4.273 -2.835 -0.020) 5.128 3.142 ( -0.208 -0.018 0.011) 0.209 3.202 ( -0.106 -0.519 0.836) 0.989 3.276 ( 0.138 8.753 7.450) 11.495 3.732 ( -0.467 -10.318 -5.473) 11.689 4.026 ( -0.206 -13.792 -1.847) 13.917 4.063 ( -0.146 -10.389 -3.119) 10.848 4.275 ( 1.451 2.745 3.436) 4.631 4.448 ( -4.114 4.217 -1.968) 6.211 4.540 ( 2.933 -2.921 0.203) 4.145 4.771 ( -0.278 -3.011 -3.536) 4.653 5.895 ( -1.683 0.997 8.296) 8.524 5.996 ( 0.319 -2.114 4.555) 5.032 6.129 ( -1.426 7.055 5.435) 9.020 6.475 ( -3.253 1.863 10.954) 11.578 6.684 ( -0.197 4.052 5.554) 6.878 6.875 ( 0.210 -1.528 -2.686) 3.098 7.445 ( -0.252 7.959 0.399) 7.973 8.207 ( 0.624 -8.313 -0.227) 8.339 8.356 ( -0.556 0.961 -0.340) 1.161 8.621 ( -1.462 -6.201 0.587) 6.398 9.438 ( 1.350 3.911 -5.892) 7.199 9.717 ( 0.869 -3.044 -12.583) 12.975======================= Grid point 64 (32/100) =======================q-point: ( 0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 4.119 13.803 7.188) 16.098 1.077 ( 5.908 15.790 6.048) 17.911 1.321 ( -0.009 9.613 4.792) 10.742 1.538 ( 1.277 3.875 0.887) 4.175 1.785 ( -5.618 1.340 1.516) 5.971 1.939 ( -1.619 -1.790 -0.707) 2.515 2.109 ( 2.528 2.376 4.646) 5.799 2.200 ( 5.939 12.104 3.882) 14.030 2.375 ( -1.428 -2.914 -6.081) 6.893 2.412 ( -2.185 0.117 -7.081) 7.411 2.497 ( -9.468 -2.386 3.816) 10.483 2.816 ( 2.616 -0.187 -5.924) 6.478 2.887 ( -5.503 -0.064 2.465) 6.030 3.104 ( -2.356 -1.838 -2.120) 3.664 3.140 ( 0.408 2.773 -1.384) 3.126 3.185 ( -1.958 0.932 0.282) 2.187 3.392 ( 5.346 8.147 11.777) 15.286 3.723 ( 0.231 -8.197 -3.796) 9.036 4.018 ( 2.275 -18.071 -3.392) 18.527 4.102 ( 3.085 -3.540 -3.221) 5.694 4.245 ( -8.393 6.529 -1.125) 10.692 4.338 ( 2.365 -0.724 5.755) 6.264 4.728 ( -1.843 -4.157 -4.046) 6.086 4.750 ( 10.843 -6.000 -2.813) 12.707 5.893 ( -1.299 1.066 7.935) 8.111 6.014 ( -0.307 -2.408 4.662) 5.256 6.118 ( -1.446 7.089 5.358) 9.003 6.453 ( -2.408 1.362 10.744) 11.094 6.703 ( -0.046 4.621 5.728) 7.360 6.916 ( 4.369 -0.339 -2.323) 4.960 7.451 ( 0.676 8.932 -0.221) 8.960 8.205 ( -0.722 -6.487 -1.794) 6.769 8.324 ( -2.886 0.091 0.046) 2.887 8.503 ( -8.574 -3.802 1.551) 9.506 9.425 ( -0.498 3.316 -5.767) 6.671 9.607 ( -5.681 -0.184 -9.818) 11.344======================= Grid point 65 (33/100) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 5.763 10.495 5.982) 13.384 1.226 ( 5.926 8.476 4.697) 11.358 1.346 ( 0.789 11.384 5.314) 12.588 1.547 ( -0.130 7.657 -0.259) 7.663 1.647 ( -7.069 3.130 3.194) 8.365 1.910 ( -1.888 -2.153 -1.152) 3.086 2.051 ( -7.511 -6.433 0.916) 9.932 2.202 ( -5.244 -7.414 -1.500) 9.205 2.310 ( -3.532 -7.335 -6.258) 10.268 2.392 ( 2.568 -3.773 -1.190) 4.717 2.577 ( 10.822 20.890 8.859) 25.139 2.715 ( -4.204 1.022 -5.334) 6.868 2.873 ( 0.295 -7.692 -2.145) 7.991 3.050 ( -1.629 2.111 -2.914) 3.950 3.137 ( 0.091 1.756 -2.285) 2.883 3.179 ( 1.188 -0.413 1.884) 2.265 3.508 ( 2.280 8.228 7.850) 11.598 3.674 ( -4.598 0.772 0.117) 4.664 4.044 ( -5.343 4.037 0.540) 6.718 4.121 ( 8.091 -14.657 -3.284) 17.061 4.223 ( 4.307 0.184 -3.665) 5.658 4.390 ( -0.102 -1.169 5.519) 5.642 4.658 ( -3.028 -5.051 -1.638) 6.113 4.934 ( 7.715 -10.994 -5.139) 14.380 5.898 ( -0.930 0.890 7.717) 7.824 6.014 ( -1.287 -2.269 4.263) 4.998 6.111 ( -1.076 7.456 5.364) 9.247 6.454 ( -1.321 1.683 10.741) 10.952 6.719 ( -0.486 5.442 5.412) 7.690 7.022 ( 6.072 -1.362 -1.545) 6.412 7.470 ( 1.756 8.553 -2.365) 9.046 8.107 ( -9.044 1.106 -1.904) 9.308 8.252 ( -2.286 -3.379 1.014) 4.204 8.385 ( -3.102 -3.518 3.177) 5.665 9.387 ( -0.754 2.331 -5.757) 6.256 9.468 ( -4.385 0.947 -6.839) 8.179======================= Grid point 66 (34/100) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.361 6.985 -1.410) 7.135 1.320 ( -2.257 11.672 8.854) 14.823 1.392 ( 2.848 2.915 3.347) 5.273 1.539 ( -0.103 10.232 2.305) 10.489 1.598 ( 1.900 4.186 4.085) 6.150 1.824 ( -4.184 -4.018 -1.817) 6.079 1.914 ( -6.128 -8.504 2.597) 10.799 2.075 ( -4.432 -6.588 -5.180) 9.480 2.267 ( 1.816 -8.093 -5.578) 9.996 2.450 ( 2.073 -1.845 -2.472) 3.716 2.590 ( -1.373 -4.024 -0.490) 4.280 2.814 ( -0.629 -3.813 -1.417) 4.116 2.908 ( 8.498 11.355 0.568) 14.194 3.035 ( 0.807 3.308 0.117) 3.407 3.143 ( 0.608 -0.217 -0.879) 1.090 3.208 ( 0.608 1.505 1.925) 2.518 3.523 ( -4.664 4.277 -6.497) 9.070 3.593 ( -0.333 12.029 13.445) 18.044 3.979 ( -1.454 2.763 1.747) 3.578 4.249 ( 3.006 -2.966 -0.928) 4.324 4.309 ( 2.449 -6.996 -3.245) 8.091 4.375 ( 1.540 1.119 0.128) 1.908 4.606 ( -2.550 -8.358 3.615) 9.457 5.027 ( 3.283 -12.760 -5.975) 14.467 5.907 ( -1.037 0.529 7.820) 7.906 5.994 ( -1.865 -1.823 3.559) 4.412 6.113 ( -0.614 7.818 5.530) 9.596 6.471 ( -0.883 2.478 10.611) 10.932 6.719 ( -1.273 5.944 4.761) 7.721 7.121 ( 2.934 -2.674 -0.408) 3.990 7.516 ( 4.106 4.147 -5.590) 8.081 7.920 ( -7.241 6.117 3.559) 10.125 8.228 ( -0.376 -3.129 -1.138) 3.350 8.360 ( -1.013 -4.594 3.680) 5.972 9.365 ( 0.860 1.578 -5.736) 6.010 9.382 ( -1.697 1.182 -6.023) 6.368======================= Grid point 67 (35/100) =======================q-point: (-0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -7.004 8.437 -1.385) 11.053 1.280 ( -4.058 8.812 6.536) 11.698 1.376 ( -3.739 5.740 2.332) 7.236 1.548 ( -4.643 4.141 -1.932) 6.515 1.663 ( 4.789 4.430 7.325) 9.809 1.798 ( 1.699 -4.152 -2.351) 5.065 1.912 ( 5.625 -7.732 4.007) 10.367 2.017 ( 0.859 -5.390 -5.751) 7.929 2.319 ( 4.459 -3.398 -3.406) 6.559 2.459 ( 1.683 2.760 -6.085) 6.891 2.581 ( -1.201 -11.978 1.295) 12.108 2.774 ( -1.807 0.519 -1.011) 2.134 3.028 ( 2.239 8.083 0.799) 8.425 3.065 ( 1.226 3.159 0.387) 3.410 3.140 ( -0.300 -1.218 -2.273) 2.596 3.214 ( -1.360 3.267 6.690) 7.568 3.395 ( -4.448 6.007 -1.823) 7.693 3.692 ( 4.959 8.461 6.635) 11.841 3.978 ( 0.454 2.361 1.426) 2.795 4.228 ( -4.842 -3.556 -1.797) 6.270 4.269 ( -0.621 1.757 0.069) 1.865 4.479 ( 2.112 -4.558 -1.986) 5.402 4.586 ( 1.256 -8.262 4.845) 9.660 5.026 ( -1.377 -12.558 -5.918) 13.951 5.910 ( -1.485 0.254 8.190) 8.327 5.970 ( -1.408 -1.530 3.069) 3.707 6.124 ( -0.427 7.995 5.696) 9.825 6.491 ( -0.981 3.323 10.444) 11.003 6.703 ( -1.780 5.702 4.362) 7.397 7.121 ( -2.440 -3.283 -0.944) 4.199 7.555 ( 0.238 -2.560 -5.643) 6.201 7.908 ( 5.213 8.804 6.271) 12.000 8.229 ( 1.233 -1.137 -1.746) 2.420 8.362 ( -0.146 -4.291 3.507) 5.544 9.353 ( 1.012 1.666 -6.200) 6.499 9.392 ( 3.730 1.219 -5.693) 6.914======================= Grid point 68 (36/100) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( -6.499 11.113 1.091) 12.920 1.149 ( -9.205 12.466 2.958) 15.776 1.324 ( -2.388 6.721 4.345) 8.352 1.469 ( -1.234 0.980 -3.066) 3.447 1.756 ( 1.434 5.448 3.056) 6.410 1.856 ( 4.609 -4.273 -2.291) 6.690 2.017 ( 1.645 -9.296 -1.493) 9.557 2.096 ( 8.267 -1.922 0.273) 8.492 2.391 ( 0.483 17.864 0.055) 17.871 2.506 ( 2.638 -8.774 -1.422) 9.271 2.573 ( 3.666 -7.925 -3.285) 9.330 2.715 ( -2.965 5.121 3.825) 7.046 3.030 ( -2.308 6.985 0.220) 7.360 3.077 ( 0.523 -0.200 0.265) 0.620 3.132 ( 0.327 -0.555 -0.559) 0.853 3.221 ( -0.535 -2.360 5.181) 5.718 3.325 ( -2.131 4.910 -1.014) 5.447 3.788 ( 1.563 1.600 2.457) 3.323 4.006 ( 2.049 -0.084 -1.403) 2.485 4.148 ( -1.601 -1.160 -0.853) 2.153 4.231 ( -2.924 -1.936 0.785) 3.593 4.429 ( -4.481 -4.127 3.397) 6.975 4.684 ( 5.108 -4.042 -0.664) 6.547 4.926 ( -6.378 -10.476 -5.202) 13.323 5.906 ( -1.742 0.356 8.562) 8.744 5.962 ( -0.458 -1.474 3.271) 3.617 6.134 ( -0.661 7.825 5.649) 9.674 6.503 ( -1.587 3.704 10.604) 11.344 6.683 ( -1.574 4.840 4.559) 6.833 7.034 ( -4.958 -4.737 -2.092) 7.169 7.508 ( -2.395 1.411 -2.094) 3.480 8.093 ( 7.431 -3.334 2.989) 8.676 8.289 ( 5.410 4.307 -0.414) 6.927 8.387 ( 2.333 -2.595 3.122) 4.683 9.372 ( 2.850 2.460 -6.278) 7.320 9.484 ( 7.407 1.042 -6.557) 9.947======================= Grid point 69 (37/100) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -1.834 15.276 3.381) 15.753 0.994 ( -5.759 16.838 4.123) 18.266 1.303 ( -1.155 7.760 4.654) 9.122 1.461 ( 0.925 1.726 -1.146) 2.269 1.764 ( 0.049 9.162 -0.620) 9.183 1.941 ( 3.698 -4.809 -2.890) 6.720 2.042 ( 1.198 -9.024 2.742) 9.507 2.212 ( -1.966 8.512 2.406) 9.062 2.387 ( 3.776 11.503 0.371) 12.112 2.524 ( -0.712 -6.969 -1.936) 7.268 2.578 ( 0.008 4.646 -6.979) 8.384 2.835 ( 9.283 -0.759 8.106) 12.347 2.945 ( -5.302 3.675 -0.280) 6.457 3.106 ( 1.839 -1.457 1.949) 3.050 3.139 ( -1.296 -1.094 -0.083) 1.698 3.191 ( -1.697 -0.114 0.687) 1.834 3.297 ( -1.713 3.877 2.613) 4.979 3.777 ( -1.718 -5.387 -2.600) 6.223 4.024 ( 0.959 -7.718 -4.708) 9.091 4.119 ( -3.485 -14.383 1.924) 14.923 4.227 ( 3.292 8.869 0.317) 9.466 4.374 ( -0.381 0.538 3.167) 3.235 4.732 ( -10.500 -5.998 -3.437) 12.571 4.760 ( 2.528 -3.129 -2.351) 4.659 5.900 ( -1.793 0.707 8.607) 8.820 5.973 ( 0.235 -1.689 3.956) 4.308 6.136 ( -1.076 7.407 5.514) 9.296 6.498 ( -2.665 3.105 10.968) 11.707 6.675 ( -0.835 4.092 5.102) 6.593 6.927 ( -3.952 -4.141 -2.799) 6.371 7.462 ( -1.475 5.643 -0.259) 5.839 8.182 ( 1.953 -8.695 0.323) 8.917 8.354 ( 0.831 1.244 0.101) 1.500 8.539 ( 8.168 -2.318 2.322) 8.802 9.413 ( 2.972 3.508 -6.147) 7.677 9.637 ( 9.216 -0.974 -9.578) 13.328======================= Grid point 70 (38/100) =======================q-point: ( 0.00 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 1.265 11.056 2.487) 11.402 1.294 ( 0.000 6.890 1.045) 6.969 1.418 ( 3.785 6.560 7.333) 10.542 1.538 ( 3.224 -0.168 2.115) 3.860 1.844 ( -0.252 -1.561 -1.952) 2.513 1.895 ( 1.000 -6.696 0.457) 6.785 1.966 ( 0.288 4.336 2.795) 5.167 2.169 ( -0.916 -12.088 0.256) 12.126 2.531 ( -0.472 4.062 -10.697) 11.452 2.579 ( -2.940 0.585 -8.387) 8.907 2.730 ( -0.630 19.221 2.032) 19.338 2.899 ( -2.913 3.478 -2.068) 4.986 3.000 ( -6.314 0.024 0.925) 6.381 3.053 ( 2.919 -1.797 2.195) 4.071 3.170 ( 0.925 2.399 2.376) 3.501 3.234 ( 5.677 3.907 0.050) 6.891 3.418 ( 3.837 -2.554 1.236) 4.772 3.563 ( -5.308 -5.443 1.861) 7.827 3.651 ( -2.251 -7.918 2.503) 8.604 3.850 ( 0.020 -12.610 1.620) 12.714 4.375 ( -0.122 5.119 1.425) 5.315 4.466 ( -1.133 -3.868 0.499) 4.062 4.560 ( 0.215 6.039 -1.941) 6.347 4.682 ( -0.442 -5.490 -2.577) 6.081 5.918 ( -1.296 1.392 7.867) 8.094 5.953 ( -0.539 -1.969 6.466) 6.780 6.286 ( -2.121 7.903 6.774) 10.623 6.430 ( -3.273 -5.558 9.475) 11.462 6.773 ( 0.487 4.282 3.665) 5.658 6.844 ( 1.303 -2.344 -0.394) 2.711 7.658 ( -0.332 13.152 4.392) 13.870 7.951 ( -0.097 -14.643 4.264) 15.251 8.428 ( 0.035 4.496 -4.497) 6.359 8.520 ( -0.417 -4.476 -3.747) 5.852 9.528 ( 1.535 4.822 -8.347) 9.761 9.630 ( 1.429 -4.964 -10.656) 11.842======================= Grid point 71 (39/100) =======================q-point: ( 0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 2.540 9.066 3.318) 9.982 1.316 ( 1.306 4.399 2.538) 5.243 1.535 ( 4.249 11.553 6.928) 14.126 1.621 ( 3.499 3.279 3.668) 6.037 1.805 ( -3.168 0.067 -0.478) 3.204 1.881 ( -2.140 -3.646 0.051) 4.228 1.980 ( 0.167 -3.863 4.270) 5.761 2.129 ( -4.042 -12.423 0.940) 13.098 2.391 ( -10.471 2.348 -7.316) 12.988 2.417 ( -5.776 -0.171 -9.820) 11.394 2.751 ( 0.754 7.055 -1.858) 7.334 2.834 ( -5.446 -2.638 -2.835) 6.682 2.925 ( 2.004 17.279 0.984) 17.423 3.098 ( 1.737 0.510 1.615) 2.426 3.142 ( -1.603 0.185 0.332) 1.648 3.271 ( -1.738 1.982 -6.313) 6.841 3.519 ( 6.058 -8.462 -3.515) 10.985 3.631 ( 1.593 -15.481 -2.248) 15.724 3.635 ( 6.518 12.156 12.592) 18.676 3.911 ( 4.131 -12.833 5.739) 14.652 4.366 ( -4.203 4.977 -0.298) 6.521 4.403 ( -0.387 2.933 0.904) 3.093 4.619 ( 2.159 -2.862 -2.244) 4.229 4.658 ( 1.003 -4.563 -1.954) 5.064 5.921 ( -1.174 1.712 7.528) 7.809 5.963 ( -0.786 -2.392 6.365) 6.845 6.272 ( -1.569 7.543 6.853) 10.311 6.408 ( -2.057 -5.239 9.244) 10.822 6.806 ( 1.380 5.152 3.473) 6.365 6.893 ( 3.355 -2.741 -0.419) 4.352 7.667 ( -0.465 13.016 4.507) 13.783 7.959 ( -0.802 -14.655 4.529) 15.360 8.385 ( -2.524 3.733 -4.919) 6.671 8.450 ( -4.409 -2.513 -4.011) 6.468 9.497 ( -1.381 3.693 -7.957) 8.880 9.568 ( -3.078 -3.068 -9.714) 10.642======================= Grid point 72 (40/100) =======================q-point: ( 0.29 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 2.875 6.403 2.414) 7.422 1.362 ( 2.365 3.299 3.523) 5.375 1.610 ( 1.040 12.232 3.443) 12.750 1.694 ( -1.518 4.600 4.122) 6.361 1.722 ( -1.575 6.296 1.834) 6.744 1.835 ( -1.754 -4.062 0.029) 4.424 1.961 ( -9.251 -4.678 1.373) 10.457 2.004 ( -2.881 -10.544 2.050) 11.121 2.184 ( -6.214 -1.364 -6.094) 8.810 2.271 ( -4.589 -7.269 -3.667) 9.346 2.692 ( -4.069 0.265 -6.899) 8.014 2.725 ( -1.459 -3.651 -6.145) 7.295 3.038 ( 5.549 13.853 -0.537) 14.932 3.117 ( -0.713 2.042 0.160) 2.169 3.179 ( 4.377 3.086 3.696) 6.507 3.209 ( -0.323 3.911 -8.758) 9.598 3.574 ( 2.581 -0.122 -6.401) 6.903 3.729 ( 5.324 -6.883 6.841) 11.069 3.834 ( 8.388 0.343 7.464) 11.233 4.008 ( 1.461 -8.290 7.979) 11.599 4.270 ( -3.407 6.708 -0.515) 7.542 4.405 ( -1.035 -3.322 1.687) 3.867 4.589 ( -1.701 2.307 -1.546) 3.256 4.729 ( 3.777 -9.114 -1.947) 10.056 5.924 ( -1.127 1.618 7.096) 7.365 5.964 ( -1.259 -2.324 5.950) 6.510 6.272 ( -0.871 7.891 7.484) 10.910 6.413 ( -0.873 -5.261 10.035) 11.364 6.845 ( 1.113 6.570 2.205) 7.019 6.966 ( 3.751 -4.665 -1.934) 6.290 7.668 ( -0.952 12.156 3.910) 12.805 7.944 ( -2.320 -13.613 3.823) 14.329 8.290 ( -4.476 4.458 -3.627) 7.285 8.353 ( -2.962 -1.688 -3.356) 4.784 9.433 ( -1.659 2.080 -7.398) 7.862 9.466 ( -3.072 -1.017 -8.140) 8.760======================= Grid point 73 (41/100) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( -0.469 5.757 -0.331) 5.786 1.429 ( 0.660 -0.488 1.791) 1.970 1.573 ( -3.387 11.124 5.549) 12.885 1.669 ( 0.404 1.581 2.137) 2.688 1.736 ( -1.191 6.927 0.428) 7.042 1.779 ( -2.986 -2.391 2.345) 4.487 1.786 ( -5.401 0.460 -1.955) 5.762 1.933 ( -3.086 -7.465 -2.816) 8.554 2.104 ( 0.308 -3.774 -2.308) 4.435 2.238 ( 0.771 -13.452 1.464) 13.554 2.628 ( 0.593 3.824 -7.446) 8.391 2.705 ( 1.682 -4.130 -4.999) 6.699 3.080 ( 0.045 3.198 -2.995) 4.382 3.109 ( -0.184 0.570 0.592) 0.842 3.186 ( 1.188 6.043 -8.380) 10.400 3.281 ( 3.094 0.495 -2.356) 3.920 3.639 ( 4.178 11.245 -1.595) 12.102 3.816 ( -0.378 5.601 13.501) 14.622 4.010 ( -1.404 -1.901 5.761) 6.226 4.022 ( 5.345 -10.732 3.034) 12.367 4.237 ( -0.520 1.751 2.116) 2.795 4.376 ( -1.948 -9.207 4.164) 10.291 4.563 ( -0.337 8.919 -0.904) 8.971 4.778 ( 1.757 -11.579 -2.468) 11.969 5.924 ( -1.327 1.144 6.826) 7.047 5.954 ( -1.653 -1.822 5.415) 5.947 6.287 ( -0.532 8.643 8.306) 11.999 6.439 ( -0.454 -5.386 11.145) 12.386 6.859 ( -0.357 7.550 0.682) 7.589 7.014 ( 1.469 -7.183 -3.821) 8.267 7.658 ( -1.060 10.765 2.999) 11.225 7.898 ( -2.559 -10.266 2.467) 10.864 8.223 ( -0.706 4.671 -0.965) 4.821 8.307 ( -0.463 -2.730 -2.460) 3.703 9.391 ( 0.333 0.865 -7.139) 7.199 9.398 ( -0.732 0.249 -7.409) 7.450======================= Grid point 74 (42/100) =======================q-point: (-0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( -4.567 6.792 -1.692) 8.357 1.382 ( -3.131 -0.570 2.305) 3.929 1.544 ( -3.571 9.441 -1.327) 10.180 1.619 ( -6.881 1.966 -3.888) 8.144 1.686 ( 2.727 0.093 3.757) 4.643 1.791 ( 1.204 -5.265 0.762) 5.454 1.828 ( 6.649 4.469 2.691) 8.451 1.901 ( 1.815 -4.123 -1.475) 4.740 2.174 ( 6.599 -4.132 -0.006) 7.786 2.277 ( 2.691 -12.271 -0.051) 12.563 2.653 ( 3.765 7.493 -6.240) 10.453 2.752 ( 3.512 -2.607 -1.815) 4.735 3.076 ( 0.839 0.912 -2.702) 2.972 3.100 ( -0.324 -1.435 -1.812) 2.334 3.164 ( -0.845 5.799 -6.465) 8.726 3.285 ( -0.704 -3.470 -6.611) 7.499 3.636 ( -5.488 18.607 4.680) 19.956 3.855 ( -0.621 5.597 11.403) 12.717 3.985 ( -2.393 -2.325 6.635) 7.427 4.043 ( -4.841 -13.665 2.453) 14.703 4.264 ( 1.914 2.411 2.789) 4.154 4.397 ( 2.299 -8.706 4.523) 10.076 4.566 ( 1.095 9.135 -0.839) 9.238 4.780 ( -0.795 -11.456 -2.397) 11.731 5.919 ( -1.443 0.709 6.925) 7.109 5.940 ( -1.455 -1.305 5.176) 5.533 6.306 ( -0.734 9.291 8.692) 12.744 6.468 ( -0.893 -5.496 11.951) 13.184 6.836 ( -1.896 7.156 0.012) 7.402 6.990 ( -2.084 -7.877 -4.887) 9.502 7.650 ( -0.657 10.238 2.726) 10.615 7.882 ( 0.227 -10.023 2.312) 10.289 8.253 ( 3.755 3.959 -0.297) 5.465 8.317 ( 2.121 -1.913 -2.049) 3.515 9.385 ( 2.092 1.351 -7.418) 7.825 9.402 ( 3.297 -0.215 -7.244) 7.962======================= Grid point 75 (43/100) =======================q-point: (-0.29 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( -2.542 9.946 -0.347) 10.272 1.345 ( -1.392 -1.354 3.068) 3.631 1.422 ( -6.065 9.488 -3.386) 11.759 1.514 ( -2.224 1.898 -3.155) 4.302 1.762 ( 3.321 -2.990 1.146) 4.613 1.818 ( 1.251 -8.399 0.585) 8.512 1.904 ( 2.090 7.523 0.260) 7.812 2.053 ( 8.511 -4.395 2.861) 9.997 2.328 ( 6.332 -3.655 -2.158) 7.623 2.394 ( 10.610 -7.729 -1.007) 13.165 2.725 ( 5.007 11.154 -4.654) 13.082 2.804 ( 1.152 1.967 0.670) 2.376 3.062 ( -1.437 0.836 -3.700) 4.056 3.109 ( 1.894 -1.858 -1.730) 3.167 3.129 ( -0.447 2.323 -2.690) 3.582 3.218 ( -3.374 -3.272 -6.166) 7.753 3.508 ( -7.182 16.469 5.139) 18.687 3.828 ( -5.288 0.536 8.574) 10.087 3.894 ( -9.559 -12.466 4.761) 16.415 3.948 ( -3.519 -7.173 4.478) 9.159 4.334 ( 3.850 6.970 1.792) 8.161 4.432 ( -0.928 -0.286 2.702) 2.871 4.614 ( 3.504 0.110 -0.568) 3.552 4.728 ( -3.356 -8.702 -2.115) 9.564 5.916 ( -1.329 0.668 7.420) 7.568 5.935 ( -0.900 -1.151 5.543) 5.732 6.315 ( -1.448 9.403 8.222) 12.574 6.482 ( -2.105 -5.749 11.992) 13.465 6.792 ( -2.123 5.708 0.845) 6.148 6.912 ( -3.240 -6.150 -4.323) 8.186 7.649 ( -0.534 11.321 3.156) 11.765 7.908 ( 0.974 -12.617 2.862) 12.974 8.359 ( 5.078 2.031 -1.990) 5.820 8.375 ( 4.963 0.123 -1.887) 5.311 9.426 ( 4.369 2.711 -7.735) 9.288 9.474 ( 6.197 -1.706 -7.999) 10.261======================= Grid point 76 (44/100) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( -0.220 11.596 1.134) 11.653 1.319 ( -2.704 10.456 -1.336) 10.883 1.349 ( 0.627 0.635 5.036) 5.115 1.492 ( 0.780 -0.904 -0.815) 1.446 1.830 ( 2.643 -4.029 -1.576) 5.070 1.850 ( 1.899 -7.028 1.558) 7.445 1.941 ( 1.328 8.805 1.087) 8.970 2.168 ( 1.749 -11.468 0.650) 11.619 2.470 ( 8.083 4.806 -5.674) 10.984 2.575 ( 5.806 -4.115 -6.706) 9.778 2.765 ( -1.945 16.003 0.794) 16.140 2.877 ( 6.884 2.897 1.522) 7.622 3.059 ( -2.073 4.679 3.726) 6.330 3.065 ( 0.151 0.673 -2.640) 2.729 3.119 ( -3.951 -1.997 -3.541) 5.669 3.161 ( 2.701 -2.717 -1.554) 4.134 3.416 ( -2.916 7.664 2.490) 8.570 3.708 ( -8.699 -18.605 5.589) 21.285 3.730 ( -6.557 2.965 3.814) 8.144 3.884 ( -3.334 -9.708 1.867) 10.433 4.391 ( -1.084 5.592 0.437) 5.712 4.424 ( 2.314 2.539 1.998) 3.974 4.634 ( -4.378 -2.303 -1.445) 5.154 4.675 ( 1.825 -4.637 -1.627) 5.243 5.917 ( -1.296 0.954 7.867) 8.029 5.941 ( -0.570 -1.419 6.134) 6.322 6.305 ( -2.084 8.769 7.303) 11.601 6.465 ( -3.372 -5.918 10.818) 12.783 6.765 ( -0.951 4.478 2.562) 5.246 6.849 ( -1.409 -3.672 -2.241) 4.526 7.651 ( -0.453 12.566 3.825) 13.143 7.934 ( 0.414 -14.122 3.621) 14.584 8.417 ( 2.387 3.680 -3.680) 5.725 8.486 ( 4.609 -3.003 -2.588) 6.079 9.494 ( 4.388 4.272 -8.177) 10.216 9.580 ( 6.331 -3.976 -9.565) 12.140======================= Grid point 98 (45/100) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( 8.800 0.000 16.569) 18.761 0.873 ( 1.898 0.000 18.746) 18.841 1.003 ( 4.055 0.000 11.073) 11.792 1.469 ( -4.466 0.000 -4.845) 6.589 1.637 ( 2.364 0.000 16.764) 16.930 1.865 ( 0.913 0.000 -13.373) 13.404 2.039 ( -3.614 0.000 -4.781) 5.993 2.174 ( -12.171 0.000 6.607) 13.848 2.286 ( 0.388 0.000 -5.034) 5.049 2.519 ( 8.273 0.000 5.409) 9.884 2.592 ( 2.384 0.000 6.205) 6.648 2.901 ( -2.140 0.000 -5.618) 6.012 3.060 ( 0.252 0.000 1.611) 1.631 3.131 ( -11.367 0.000 5.749) 12.738 3.247 ( 1.395 0.000 0.384) 1.447 3.293 ( -2.188 0.000 9.803) 10.044 3.334 ( 6.065 0.000 0.998) 6.146 3.846 ( 2.652 0.000 1.455) 3.025 3.940 ( 1.029 0.000 0.805) 1.306 4.190 ( -1.357 0.000 -7.933) 8.048 4.292 ( 2.497 0.000 -4.517) 5.161 4.481 ( 0.071 0.000 -10.287) 10.288 4.610 ( 1.420 0.000 -3.205) 3.506 4.615 ( -0.467 0.000 0.059) 0.471 6.047 ( -0.543 0.000 4.617) 4.649 6.050 ( -1.559 0.000 2.982) 3.365 6.111 ( -1.112 0.000 8.462) 8.535 6.475 ( -0.631 0.000 5.716) 5.751 6.847 ( -0.590 0.000 6.670) 6.696 6.859 ( 0.566 0.000 -4.654) 4.689 6.914 ( -2.476 0.000 0.718) 2.578 8.009 ( 1.849 0.000 -12.736) 12.870 8.611 ( -3.728 0.000 8.191) 9.000 9.193 ( 0.943 0.000 -7.705) 7.763 9.275 ( -4.962 0.000 2.225) 5.438 9.449 ( 1.518 0.000 -2.152) 2.634======================= Grid point 99 (46/100) =======================q-point: ( 0.14 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( 6.459 0.000 10.456) 12.290 1.073 ( 9.681 0.000 15.339) 18.139 1.153 ( 5.335 0.000 8.951) 10.420 1.354 ( -3.825 0.000 -4.392) 5.824 1.808 ( -1.103 0.000 -15.223) 15.262 1.821 ( 5.661 0.000 9.600) 11.145 1.944 ( -3.596 0.000 22.285) 22.573 2.079 ( 3.606 0.000 -8.310) 9.059 2.301 ( 2.610 0.000 -5.859) 6.414 2.611 ( -1.303 0.000 1.199) 1.771 2.665 ( -2.149 0.000 3.867) 4.424 2.794 ( -0.464 0.000 -2.183) 2.232 2.914 ( -11.345 0.000 9.323) 14.684 3.091 ( 1.804 0.000 2.923) 3.435 3.193 ( -3.624 0.000 0.855) 3.723 3.377 ( 4.317 0.000 5.557) 7.037 3.420 ( 1.480 0.000 0.685) 1.631 3.832 ( -9.141 0.000 2.031) 9.364 3.950 ( -0.342 0.000 1.291) 1.336 4.045 ( -2.463 0.000 -4.342) 4.992 4.302 ( 0.533 0.000 -6.593) 6.614 4.406 ( -2.197 0.000 -14.883) 15.044 4.665 ( 4.574 0.000 1.262) 4.745 4.800 ( 13.237 0.000 -6.623) 14.801 6.020 ( -2.153 0.000 2.764) 3.503 6.054 ( -0.494 0.000 5.948) 5.968 6.122 ( -0.727 0.000 7.249) 7.285 6.479 ( -1.105 0.000 6.348) 6.443 6.866 ( 1.696 0.000 -4.855) 5.142 6.875 ( -0.317 0.000 9.763) 9.768 6.941 ( 5.183 0.000 0.653) 5.224 7.998 ( 1.588 0.000 -12.764) 12.862 8.541 ( -6.909 0.000 10.421) 12.503 9.053 ( -14.312 0.000 8.140) 16.465 9.185 ( 1.030 0.000 -7.441) 7.512 9.434 ( -2.170 0.000 -2.383) 3.223======================= Grid point 100 (47/100) =======================q-point: ( 0.29 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( 2.252 0.000 2.308) 3.224 1.201 ( -0.735 0.000 -2.726) 2.823 1.276 ( 4.940 0.000 10.648) 11.738 1.434 ( 10.589 0.000 12.090) 16.072 1.737 ( 0.433 0.000 -14.987) 14.993 1.747 ( -7.811 0.000 12.041) 14.353 2.146 ( 3.521 0.000 -5.461) 6.498 2.259 ( 15.995 0.000 16.836) 23.222 2.302 ( -4.194 0.000 -3.941) 5.755 2.486 ( -5.095 0.000 -2.302) 5.591 2.594 ( 1.731 0.000 -4.082) 4.434 2.703 ( -12.027 0.000 8.194) 14.553 2.937 ( 6.943 0.000 8.088) 10.659 3.139 ( -1.329 0.000 -0.613) 1.464 3.140 ( 1.159 0.000 4.129) 4.288 3.413 ( -2.162 0.000 2.309) 3.163 3.469 ( 2.184 0.000 4.957) 5.416 3.542 ( -15.696 0.000 -0.879) 15.720 3.941 ( -0.860 0.000 0.903) 1.247 4.016 ( -2.771 0.000 -2.229) 3.556 4.283 ( 0.860 0.000 -10.243) 10.279 4.334 ( 1.310 0.000 -14.270) 14.330 4.774 ( 4.549 0.000 2.462) 5.172 5.010 ( 9.617 0.000 -10.607) 14.317 5.990 ( -1.513 0.000 2.560) 2.973 6.064 ( -0.504 0.000 3.178) 3.218 6.135 ( -1.021 0.000 10.803) 10.851 6.477 ( -1.412 0.000 7.145) 7.283 6.882 ( -2.923 0.000 14.456) 14.749 6.889 ( 2.079 0.000 -5.134) 5.539 7.122 ( 11.725 0.000 -4.186) 12.450 7.986 ( 1.717 0.000 -12.381) 12.500 8.393 ( -11.340 0.000 16.018) 19.626 8.853 ( -7.776 0.000 9.946) 12.625 9.186 ( 1.585 0.000 -6.703) 6.887 9.353 ( -4.163 0.000 -3.838) 5.662======================= Grid point 101 (48/100) =======================q-point: ( 0.43 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -2.874 0.000 0.053) 2.875 1.177 ( -0.214 0.000 -2.319) 2.329 1.465 ( 8.088 0.000 11.371) 13.954 1.628 ( -7.984 0.000 11.286) 13.825 1.641 ( 3.121 0.000 7.685) 8.295 1.779 ( 8.849 0.000 -7.412) 11.543 2.094 ( -11.005 0.000 -1.911) 11.170 2.109 ( -4.454 0.000 -4.948) 6.657 2.496 ( -9.798 0.000 7.462) 12.317 2.522 ( 6.250 0.000 -1.932) 6.542 2.613 ( 12.871 0.000 3.686) 13.388 2.682 ( 6.421 0.000 0.299) 6.428 3.056 ( 0.482 0.000 5.399) 5.421 3.090 ( -11.699 0.000 6.479) 13.373 3.169 ( 5.308 0.000 1.533) 5.525 3.252 ( -5.963 0.000 -2.724) 6.556 3.420 ( 1.056 0.000 4.653) 4.771 3.498 ( -1.012 0.000 5.968) 6.053 3.915 ( -4.089 0.000 -5.493) 6.848 3.919 ( -1.325 0.000 -0.580) 1.447 4.266 ( 1.247 0.000 -12.118) 12.182 4.352 ( 3.953 0.000 -10.780) 11.482 4.847 ( 1.394 0.000 2.484) 2.848 5.116 ( 4.625 0.000 -11.719) 12.599 5.982 ( -0.039 0.000 2.630) 2.630 6.052 ( -1.105 0.000 0.371) 1.166 6.158 ( -1.372 0.000 14.544) 14.609 6.472 ( -1.627 0.000 7.390) 7.567 6.865 ( -3.788 0.000 15.245) 15.709 6.910 ( 1.672 0.000 -5.245) 5.505 7.341 ( 10.546 0.000 -10.356) 14.780 7.982 ( 2.123 0.000 -11.901) 12.089 8.247 ( -7.990 0.000 23.875) 25.177 8.775 ( -3.980 0.000 9.266) 10.085 9.203 ( 2.210 0.000 -5.839) 6.244 9.258 ( -2.768 0.000 -5.582) 6.231======================= Grid point 102 (49/100) =======================q-point: (-0.43 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( -3.216 0.000 2.755) 4.235 1.154 ( -2.405 0.000 -0.440) 2.444 1.390 ( -15.679 0.000 5.681) 16.676 1.660 ( -3.618 0.000 7.742) 8.546 1.677 ( 2.894 0.000 6.387) 7.012 1.904 ( -4.459 0.000 -2.565) 5.144 1.958 ( 8.505 0.000 -4.516) 9.629 2.032 ( 1.142 0.000 3.431) 3.616 2.387 ( -2.476 0.000 2.222) 3.327 2.693 ( 9.477 0.000 5.015) 10.723 2.706 ( -9.278 0.000 -4.208) 10.188 2.734 ( -2.346 0.000 1.630) 2.857 2.938 ( 2.685 0.000 6.941) 7.443 3.032 ( -2.553 0.000 -1.626) 3.027 3.188 ( -1.765 0.000 0.419) 1.814 3.303 ( 4.752 0.000 6.641) 8.166 3.478 ( -2.869 0.000 5.534) 6.233 3.524 ( 6.817 0.000 5.280) 8.623 3.853 ( 0.606 0.000 -7.459) 7.483 3.890 ( -0.801 0.000 -1.671) 1.853 4.246 ( 1.087 0.000 -11.760) 11.811 4.402 ( 4.574 0.000 -10.181) 11.161 4.844 ( -2.488 0.000 2.056) 3.228 5.117 ( -0.597 0.000 -11.105) 11.121 6.005 ( 1.083 0.000 2.746) 2.952 6.030 ( -0.800 0.000 -0.293) 0.852 6.171 ( -2.831 0.000 15.553) 15.808 6.465 ( -1.557 0.000 7.197) 7.363 6.842 ( -3.674 0.000 15.750) 16.172 6.917 ( 0.715 0.000 -5.129) 5.178 7.411 ( 0.399 0.000 -18.519) 18.523 7.988 ( 2.571 0.000 -11.640) 11.921 8.311 ( 5.488 0.000 31.324) 31.801 8.735 ( -3.168 0.000 8.628) 9.191 9.200 ( 0.133 0.000 -6.683) 6.685 9.248 ( 3.239 0.000 -5.101) 6.042======================= Grid point 103 (50/100) =======================q-point: (-0.29 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -2.691 0.000 5.384) 6.019 0.999 ( -20.799 0.000 1.242) 20.836 1.047 ( -8.863 0.000 5.970) 10.686 1.594 ( -3.448 0.000 4.556) 5.714 1.655 ( -4.980 0.000 9.497) 10.724 1.852 ( 0.965 0.000 -7.548) 7.609 2.138 ( 8.615 0.000 1.968) 8.837 2.194 ( 8.116 0.000 9.154) 12.234 2.370 ( 0.031 0.000 -4.032) 4.032 2.448 ( -10.279 0.000 -3.255) 10.782 2.626 ( -9.060 0.000 4.744) 10.227 2.916 ( 7.530 0.000 6.852) 10.181 2.970 ( -0.744 0.000 0.120) 0.753 3.028 ( 2.730 0.000 1.043) 2.922 3.177 ( 0.139 0.000 2.400) 2.404 3.383 ( 0.277 0.000 6.182) 6.189 3.419 ( -4.188 0.000 2.656) 4.960 3.697 ( 6.956 0.000 3.022) 7.584 3.884 ( 0.687 0.000 -0.954) 1.175 3.885 ( 5.785 0.000 -8.256) 10.081 4.235 ( 1.790 0.000 -9.750) 9.913 4.465 ( 4.912 0.000 -11.172) 12.204 4.769 ( -4.982 0.000 1.700) 5.264 5.006 ( -6.825 0.000 -9.158) 11.422 6.023 ( 0.210 0.000 -0.065) 0.220 6.038 ( 0.983 0.000 2.812) 2.979 6.153 ( -4.095 0.000 14.758) 15.316 6.461 ( -1.151 0.000 6.740) 6.838 6.831 ( -2.910 0.000 15.673) 15.940 6.902 ( -0.276 0.000 -4.894) 4.902 7.261 ( -7.097 0.000 -17.772) 19.137 8.001 ( 2.708 0.000 -11.787) 12.094 8.641 ( 8.755 0.000 20.832) 22.597 8.728 ( 5.533 0.000 14.025) 15.076 9.194 ( 1.471 0.000 -7.169) 7.318 9.313 ( 4.562 0.000 -4.245) 6.232======================= Grid point 104 (51/100) =======================q-point: (-0.14 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( -11.610 0.000 8.763) 14.546 0.886 ( -8.338 0.000 14.633) 16.842 0.922 ( 0.281 0.000 10.796) 10.800 1.549 ( -2.247 0.000 -1.460) 2.680 1.602 ( -3.582 0.000 13.880) 14.334 1.865 ( 2.860 0.000 -10.635) 11.013 2.173 ( -7.352 0.000 -5.138) 8.969 2.301 ( 3.011 0.000 1.891) 3.556 2.354 ( 3.324 0.000 -2.271) 4.026 2.415 ( -10.576 0.000 4.451) 11.474 2.468 ( 4.866 0.000 10.047) 11.164 2.924 ( 0.814 0.000 -6.636) 6.686 3.057 ( 0.082 0.000 1.221) 1.224 3.125 ( 5.331 0.000 12.282) 13.389 3.217 ( 3.480 0.000 2.220) 4.128 3.318 ( -6.961 0.000 5.477) 8.857 3.360 ( -3.749 0.000 1.208) 3.939 3.790 ( 2.495 0.000 0.665) 2.582 3.907 ( 1.646 0.000 0.011) 1.646 4.053 ( 11.759 0.000 -6.716) 13.541 4.252 ( 2.757 0.000 -6.704) 7.249 4.505 ( 2.497 0.000 -11.924) 12.183 4.671 ( -4.508 0.000 0.988) 4.615 4.780 ( -11.536 0.000 -5.207) 12.657 6.035 ( 0.638 0.000 1.122) 1.291 6.058 ( -0.194 0.000 2.940) 2.946 6.120 ( -3.488 0.000 12.589) 13.063 6.466 ( -0.650 0.000 6.069) 6.104 6.835 ( -1.957 0.000 14.277) 14.410 6.876 ( -0.415 0.000 -4.690) 4.708 7.045 ( -7.407 0.000 -12.167) 14.244 8.011 ( 2.361 0.000 -12.285) 12.510 8.651 ( -3.067 0.000 7.996) 8.564 9.132 ( 15.652 0.000 11.474) 19.407 9.198 ( 1.299 0.000 -7.515) 7.626 9.395 ( 4.270 0.000 -3.063) 5.256======================= Grid point 105 (52/100) =======================q-point: ( 0.00 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.794 ( 4.560 11.695 12.799) 17.927 0.935 ( 1.535 6.090 13.274) 14.684 1.185 ( 2.870 13.578 9.130) 16.612 1.472 ( -2.515 0.513 -3.008) 3.954 1.700 ( 4.674 5.754 11.237) 13.462 1.875 ( 1.141 0.497 -11.539) 11.606 2.077 ( -1.967 3.312 -4.302) 5.774 2.212 ( -12.378 4.602 9.858) 16.479 2.281 ( 0.869 -0.636 -3.762) 3.913 2.473 ( 2.724 -3.825 3.793) 6.036 2.577 ( 5.494 -1.590 1.773) 5.988 2.898 ( -0.677 -0.971 -5.685) 5.807 3.028 ( -8.535 -4.929 2.697) 10.219 3.097 ( -1.112 -0.082 2.744) 2.962 3.208 ( -1.130 -3.609 -1.168) 3.958 3.287 ( -0.494 -1.096 4.168) 4.338 3.365 ( 3.593 4.445 11.939) 13.237 3.807 ( 1.643 -5.406 -1.871) 5.952 3.938 ( 2.629 0.141 -4.162) 4.924 4.203 ( 0.238 -0.326 -3.659) 3.681 4.292 ( -3.728 -2.198 -6.227) 7.583 4.381 ( 2.388 -3.006 -2.772) 4.735 4.586 ( 1.656 -1.368 -0.023) 2.148 4.681 ( -0.675 2.494 -4.526) 5.212 6.062 ( -0.844 1.295 5.515) 5.727 6.091 ( -0.979 3.303 3.915) 5.215 6.120 ( -1.145 1.212 7.337) 7.524 6.554 ( -1.020 7.604 7.524) 10.746 6.836 ( -0.011 -2.295 -4.879) 5.392 6.871 ( -1.775 0.422 12.074) 12.211 7.083 ( 0.072 15.580 -5.868) 16.649 8.025 ( 1.828 1.389 -12.799) 13.003 8.570 ( -3.450 -3.945 8.269) 9.790 9.012 ( -2.966 -15.173 5.965) 16.571 9.249 ( 1.114 0.093 -6.811) 6.902 9.486 ( 0.716 0.053 -8.048) 8.080======================= Grid point 106 (53/100) =======================q-point: ( 0.14 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 5.482 6.301 8.883) 12.192 1.068 ( 6.763 3.290 11.158) 13.456 1.284 ( 2.700 8.193 9.328) 12.705 1.406 ( -2.401 4.722 -3.330) 6.257 1.824 ( -0.611 1.106 -9.317) 9.403 1.847 ( -0.526 1.573 1.589) 2.297 2.078 ( 1.938 0.253 -7.485) 7.736 2.088 ( 2.707 13.406 21.683) 25.635 2.297 ( 2.567 -0.331 -5.412) 5.999 2.497 ( -0.896 -7.621 3.192) 8.311 2.636 ( -5.862 -4.322 0.271) 7.288 2.824 ( -0.432 1.773 -3.638) 4.070 2.877 ( -6.347 -4.167 6.137) 9.763 3.105 ( 0.826 1.210 2.519) 2.914 3.151 ( -3.281 -3.549 -0.098) 4.834 3.285 ( -0.182 -5.479 2.857) 6.182 3.488 ( 3.102 4.832 8.152) 9.971 3.786 ( -5.015 -3.426 -0.622) 6.105 3.998 ( 3.043 1.738 -1.924) 3.998 4.086 ( -5.598 3.849 -2.823) 7.356 4.196 ( -0.677 -8.322 -7.902) 11.496 4.416 ( 0.835 0.774 -4.637) 4.774 4.676 ( 2.140 0.109 -1.802) 2.800 4.764 ( 11.573 -3.082 -4.787) 12.897 6.063 ( -1.034 2.260 6.446) 6.908 6.077 ( -1.538 3.623 3.470) 5.247 6.126 ( -0.903 0.181 6.511) 6.576 6.557 ( -1.403 7.273 8.037) 10.930 6.862 ( 1.623 -0.473 2.344) 2.890 6.905 ( 3.213 -1.485 5.685) 6.697 7.072 ( 0.594 15.293 -4.667) 16.000 8.011 ( 1.365 1.199 -12.602) 12.732 8.505 ( -6.472 -3.337 9.739) 12.161 8.892 ( -9.611 -12.226 9.423) 18.183 9.223 ( -0.181 1.684 -8.130) 8.305 9.429 ( -2.972 -1.097 -5.754) 6.568======================= Grid point 107 (54/100) =======================q-point: ( 0.29 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 2.367 4.368 1.678) 5.244 1.257 ( 7.319 2.616 4.784) 9.127 1.301 ( -2.118 5.721 2.674) 6.661 1.458 ( 6.999 2.821 10.991) 13.332 1.754 ( -2.930 1.742 -6.638) 7.462 1.764 ( -4.430 1.014 3.596) 5.795 2.119 ( 2.797 -2.804 -5.848) 7.063 2.229 ( -2.152 -2.885 -0.759) 3.678 2.418 ( -3.190 -4.724 -0.362) 5.712 2.432 ( 6.285 5.751 7.099) 11.089 2.531 ( 1.406 -0.219 7.415) 7.550 2.661 ( -8.431 -4.010 -1.877) 9.523 2.957 ( 5.439 1.165 3.123) 6.379 3.094 ( -1.621 -5.760 -0.978) 6.063 3.143 ( 1.249 0.122 3.835) 4.035 3.289 ( -0.443 -7.959 2.420) 8.331 3.504 ( -6.219 -0.019 0.938) 6.290 3.620 ( -6.736 10.296 5.419) 13.445 3.977 ( -2.302 3.046 0.925) 3.928 4.080 ( 2.441 3.746 -4.300) 6.203 4.220 ( 5.016 -5.764 -7.869) 10.969 4.364 ( -2.744 3.150 -8.093) 9.107 4.747 ( 3.687 -2.807 1.797) 4.970 4.951 ( 8.451 -5.193 -8.364) 12.975 6.048 ( -1.451 5.470 2.498) 6.187 6.076 ( -0.630 0.941 4.595) 4.733 6.129 ( -1.366 -0.550 9.614) 9.726 6.555 ( -1.674 7.050 8.321) 11.034 6.879 ( -1.973 1.186 11.806) 12.029 7.040 ( 4.783 3.220 -5.139) 7.724 7.090 ( 6.260 5.766 -3.762) 9.305 7.992 ( 1.062 0.518 -11.272) 11.334 8.370 ( -9.912 -2.001 14.039) 17.301 8.758 ( -6.159 -8.356 10.509) 14.772 9.201 ( 0.882 0.928 -7.939) 8.042 9.335 ( -3.885 -1.712 -5.754) 7.151======================= Grid point 108 (55/100) =======================q-point: ( 0.43 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( -1.878 5.455 0.136) 5.771 1.234 ( -1.572 5.749 -1.461) 6.136 1.479 ( 8.794 0.450 6.706) 11.069 1.613 ( -2.233 0.694 14.784) 14.968 1.655 ( -2.791 0.930 3.909) 4.892 1.781 ( 6.682 -0.192 -5.801) 8.851 2.028 ( -8.222 -4.490 -2.812) 9.781 2.142 ( -3.400 0.876 -5.575) 6.588 2.334 ( -8.503 -11.932 9.831) 17.644 2.425 ( 3.509 -6.839 -5.520) 9.463 2.651 ( 6.362 -1.747 -6.134) 9.009 2.754 ( 7.445 7.719 7.864) 13.299 2.992 ( -3.065 -3.187 1.930) 4.825 3.108 ( 1.464 -5.845 2.655) 6.585 3.166 ( -0.812 0.776 4.158) 4.307 3.274 ( -2.187 0.070 -1.700) 2.771 3.341 ( -2.890 -2.795 1.087) 4.165 3.582 ( -1.282 12.155 9.302) 15.360 3.945 ( -1.158 2.947 0.366) 3.187 4.087 ( -1.171 10.762 -2.650) 11.145 4.257 ( -0.538 -0.119 -8.772) 8.789 4.334 ( 5.089 -1.984 -8.774) 10.335 4.808 ( 1.033 -3.859 2.629) 4.782 5.048 ( 4.065 -6.085 -9.533) 12.017 6.034 ( -0.760 4.192 2.403) 4.891 6.067 ( -0.937 2.028 1.090) 2.486 6.146 ( -1.323 -0.969 14.078) 14.173 6.548 ( -1.761 6.977 8.158) 10.878 6.872 ( -3.076 1.346 13.616) 14.024 7.047 ( 0.439 10.221 -5.523) 11.626 7.270 ( 9.453 -5.279 -9.655) 14.507 7.981 ( 1.577 -0.231 -8.668) 8.813 8.248 ( -6.384 0.158 18.999) 20.044 8.699 ( -3.597 -6.935 9.670) 12.431 9.203 ( 1.858 -0.175 -7.241) 7.478 9.245 ( -2.083 -1.231 -6.838) 7.253======================= Grid point 109 (56/100) =======================q-point: (-0.43 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -4.037 5.718 2.467) 7.421 1.199 ( -2.971 4.767 0.512) 5.640 1.431 ( -13.394 3.434 2.968) 14.142 1.582 ( -2.628 -4.156 8.536) 9.851 1.713 ( 2.744 0.889 3.027) 4.181 1.866 ( -2.973 -3.155 -0.625) 4.380 1.951 ( 7.950 -0.405 -2.761) 8.426 2.098 ( 1.288 4.975 -1.210) 5.280 2.250 ( -1.221 -10.505 5.677) 12.003 2.561 ( 8.772 -9.549 0.568) 12.979 2.673 ( -6.081 -4.611 -8.387) 11.339 2.766 ( -1.896 0.811 1.751) 2.705 2.990 ( 0.708 3.855 6.073) 7.228 3.092 ( -1.906 2.635 0.231) 3.260 3.161 ( -0.051 -0.042 1.883) 1.884 3.292 ( 2.403 -3.337 2.184) 4.656 3.341 ( 0.421 -4.959 3.245) 5.942 3.647 ( 4.293 10.327 7.433) 13.429 3.921 ( -1.309 3.067 -1.637) 3.715 4.021 ( -3.076 11.390 -2.689) 12.101 4.237 ( 1.766 0.033 -7.592) 7.794 4.410 ( 4.667 -0.011 -8.905) 10.054 4.803 ( -2.281 -3.929 2.524) 5.198 5.049 ( -0.786 -6.084 -9.075) 10.954 6.027 ( -0.723 1.083 1.772) 2.199 6.065 ( 0.430 4.255 1.468) 4.521 6.162 ( -2.482 -0.658 14.973) 15.191 6.543 ( -1.543 7.176 7.818) 10.723 6.856 ( -3.296 1.533 14.616) 15.061 7.032 ( -0.113 8.135 -5.291) 9.705 7.340 ( 1.282 -4.917 -16.156) 16.936 7.998 ( 2.912 0.474 -10.168) 10.588 8.297 ( 4.274 -0.974 26.026) 26.392 8.667 ( -2.919 -6.305 8.898) 11.289 9.191 ( 0.579 -0.770 -7.816) 7.875 9.246 ( 3.673 -0.384 -6.541) 7.512======================= Grid point 110 (57/100) =======================q-point: (-0.29 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( -7.806 3.046 4.855) 9.684 1.045 ( -11.302 6.598 5.318) 14.126 1.208 ( -6.408 10.227 0.752) 12.093 1.546 ( -2.692 -2.786 7.954) 8.847 1.710 ( -3.556 2.613 2.937) 5.301 1.831 ( 1.497 -1.181 -6.090) 6.382 2.127 ( 7.069 -1.304 1.517) 7.347 2.190 ( 5.654 -3.982 3.809) 7.895 2.260 ( -0.248 -1.490 1.407) 2.064 2.496 ( -4.393 -0.643 -7.741) 8.923 2.644 ( -6.038 1.064 4.806) 7.791 2.824 ( 8.617 -6.521 5.260) 12.018 2.974 ( -2.263 1.105 0.209) 2.527 3.084 ( 0.604 3.974 0.522) 4.053 3.183 ( 1.296 -0.213 4.425) 4.616 3.312 ( -1.180 -7.363 0.745) 7.494 3.371 ( -0.011 -1.480 4.005) 4.270 3.763 ( 3.336 5.144 2.928) 6.795 3.899 ( 2.352 1.989 -6.496) 7.190 3.973 ( -0.663 7.194 -0.646) 7.253 4.266 ( 2.822 2.614 -4.392) 5.839 4.446 ( 1.429 -1.967 -9.046) 9.367 4.749 ( -2.977 -1.947 1.343) 3.802 4.946 ( -6.351 -5.226 -7.362) 11.038 6.027 ( 0.247 0.648 1.624) 1.766 6.086 ( 0.730 4.270 2.210) 4.863 6.149 ( -3.726 -0.207 14.233) 14.714 6.542 ( -1.207 7.534 7.523) 10.716 6.845 ( -2.805 1.579 14.764) 15.111 6.999 ( -1.524 4.290 -5.267) 6.962 7.240 ( -3.995 1.285 -15.326) 15.890 8.016 ( 2.743 1.147 -11.738) 12.109 8.575 ( 9.210 -5.990 20.930) 23.638 8.654 ( 1.542 -6.235 10.618) 12.410 9.194 ( 2.278 -0.147 -8.130) 8.445 9.321 ( 5.772 0.144 -6.340) 8.575======================= Grid point 111 (58/100) =======================q-point: (-0.14 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -5.350 11.667 8.813) 15.569 0.923 ( -4.497 6.397 11.133) 13.605 1.140 ( -1.663 14.791 6.801) 16.364 1.523 ( -2.009 -2.003 2.618) 3.860 1.648 ( -2.552 3.995 6.864) 8.343 1.863 ( 3.376 -0.163 -9.349) 9.941 2.155 ( -3.691 -1.300 -4.367) 5.864 2.255 ( 3.148 -3.253 2.249) 5.055 2.350 ( 3.850 -0.950 3.059) 5.008 2.453 ( -5.863 3.484 3.389) 7.616 2.493 ( -1.706 1.523 1.961) 3.013 2.910 ( 0.410 -1.383 -4.854) 5.064 3.050 ( 5.191 -3.057 7.443) 9.575 3.099 ( 1.341 1.469 0.642) 2.090 3.227 ( -1.583 -3.347 1.915) 4.168 3.270 ( -1.239 -1.528 6.738) 7.020 3.344 ( -2.935 -0.390 3.278) 4.417 3.787 ( 0.602 -1.362 -2.088) 2.565 3.923 ( 1.071 -0.886 -6.184) 6.338 4.070 ( 9.328 5.485 -0.148) 10.823 4.314 ( 2.921 3.708 -2.639) 5.408 4.396 ( -2.877 -8.247 -7.058) 11.230 4.705 ( -2.098 1.204 -2.093) 3.198 4.747 ( -9.473 -2.691 -4.090) 10.664 6.046 ( 0.800 0.889 2.192) 2.497 6.100 ( -0.763 4.027 3.695) 5.518 6.123 ( -2.743 0.321 11.517) 11.844 6.547 ( -0.944 7.730 7.364) 10.718 6.846 ( -2.065 1.325 13.054) 13.283 6.923 ( -3.569 -2.085 -5.691) 7.034 7.125 ( -1.955 11.720 -9.714) 15.347 8.026 ( 2.386 1.335 -12.370) 12.669 8.602 ( -2.719 -4.649 8.404) 9.982 8.926 ( 8.943 -14.202 12.026) 20.647 9.222 ( 3.159 0.596 -7.603) 8.254 9.430 ( 6.545 0.712 -7.275) 9.812======================= Grid point 112 (59/100) =======================q-point: ( 0.00 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( 2.009 11.311 6.908) 13.405 1.126 ( 1.550 13.112 7.888) 15.381 1.433 ( -0.531 9.799 6.171) 11.592 1.503 ( 1.584 2.919 0.283) 3.333 1.799 ( 3.238 1.615 0.175) 3.622 1.874 ( 2.093 0.153 -5.941) 6.301 2.120 ( 1.032 -0.743 -2.519) 2.822 2.259 ( 1.300 -0.412 -0.483) 1.447 2.367 ( 0.496 -5.588 -0.888) 5.679 2.425 ( -9.019 12.090 7.723) 16.946 2.524 ( 4.349 -1.574 -3.009) 5.518 2.834 ( -3.862 -3.190 -0.780) 5.069 2.978 ( -5.178 1.134 -2.092) 5.698 3.120 ( 0.287 -2.806 -0.897) 2.960 3.152 ( -1.889 3.307 2.551) 4.584 3.237 ( -0.105 -3.171 2.104) 3.807 3.505 ( 5.107 7.646 11.732) 14.906 3.621 ( -0.391 -10.588 -3.845) 11.271 3.940 ( 3.957 -1.482 -5.526) 6.956 4.005 ( -6.339 -14.630 -3.386) 16.300 4.332 ( 3.449 3.940 1.968) 5.594 4.414 ( -4.381 4.084 -1.264) 6.122 4.549 ( 2.170 -2.199 0.779) 3.186 4.691 ( -1.047 -1.447 -3.656) 4.069 6.085 ( -0.704 0.848 5.969) 6.070 6.114 ( -1.634 -0.042 9.508) 9.647 6.220 ( -0.637 7.227 2.293) 7.609 6.694 ( -2.263 -1.711 4.435) 5.265 6.795 ( 1.067 5.436 -0.152) 5.542 6.911 ( -2.048 2.744 15.855) 16.221 7.416 ( 0.709 15.779 -4.080) 16.313 8.050 ( 1.882 0.210 -12.361) 12.505 8.465 ( -2.650 -5.592 8.514) 10.526 8.702 ( -2.557 -13.644 7.459) 15.759 9.261 ( 2.222 0.955 -10.653) 10.924 9.437 ( 1.553 -4.070 -12.891) 13.607======================= Grid point 113 (60/100) =======================q-point: ( 0.14 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 2.632 9.750 4.342) 10.993 1.216 ( 4.036 10.283 6.565) 12.850 1.446 ( 0.419 8.190 6.662) 10.566 1.532 ( 0.626 7.288 -0.971) 7.379 1.824 ( -0.267 -1.415 -2.904) 3.242 1.878 ( -1.605 1.183 -1.042) 2.250 2.094 ( -2.488 1.454 -4.324) 5.197 2.257 ( -1.044 -0.829 -3.515) 3.759 2.331 ( -1.886 -6.180 0.289) 6.467 2.371 ( -2.181 -1.367 4.376) 5.077 2.590 ( 4.346 7.187 5.185) 9.870 2.724 ( -6.000 -5.163 -1.480) 8.053 2.892 ( -2.955 1.065 -0.858) 3.256 3.054 ( -4.193 -3.040 -2.160) 5.612 3.134 ( -0.534 1.478 1.606) 2.247 3.227 ( -0.737 -1.245 2.611) 2.985 3.556 ( -0.932 -1.401 1.606) 2.326 3.737 ( 6.239 1.814 6.653) 9.299 3.926 ( 1.887 -13.892 -4.896) 14.850 4.023 ( 4.950 0.354 -3.981) 6.362 4.234 ( -7.941 6.409 -0.110) 10.205 4.434 ( 3.171 1.103 2.960) 4.476 4.639 ( 0.283 -3.559 -3.535) 5.025 4.699 ( 6.737 -3.079 -1.802) 7.624 6.085 ( -1.395 0.678 7.974) 8.124 6.119 ( -1.136 -0.515 6.951) 7.062 6.212 ( -0.920 7.976 2.426) 8.387 6.686 ( -0.852 -0.044 7.738) 7.785 6.838 ( 3.674 3.339 -2.834) 5.717 6.927 ( -1.904 2.506 15.678) 15.991 7.411 ( 0.234 16.345 -4.577) 16.975 8.034 ( 0.828 0.309 -12.149) 12.181 8.421 ( -4.895 -4.355 8.077) 10.400 8.629 ( -6.375 -12.410 9.748) 17.020 9.247 ( 0.345 0.859 -10.804) 10.843 9.381 ( -2.195 -3.365 -11.000) 11.711======================= Grid point 114 (61/100) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 1.590 8.038 0.263) 8.198 1.334 ( 5.802 5.573 4.994) 9.468 1.478 ( -2.053 9.770 1.977) 10.177 1.554 ( 4.232 6.696 4.478) 9.099 1.774 ( -4.241 0.109 3.800) 5.696 1.804 ( -3.701 2.734 -5.088) 6.860 2.049 ( -1.336 -3.155 -1.211) 3.634 2.145 ( -6.866 -5.199 -2.310) 8.917 2.267 ( -6.038 -9.518 2.311) 11.506 2.352 ( 0.645 -5.866 -4.172) 7.227 2.553 ( -5.002 -4.928 -7.841) 10.526 2.782 ( 6.148 8.135 5.336) 11.509 2.844 ( -0.681 -8.048 0.914) 8.128 3.007 ( 1.087 2.956 -0.329) 3.166 3.138 ( -0.023 -0.761 1.490) 1.673 3.246 ( 1.399 1.534 4.541) 4.993 3.484 ( -4.232 -1.439 -3.206) 5.501 3.863 ( 1.403 11.864 11.408) 16.519 4.029 ( 4.506 -5.221 -3.851) 7.899 4.056 ( 2.577 -1.058 -0.926) 2.935 4.164 ( 2.378 3.282 -1.939) 4.493 4.450 ( -2.613 4.759 0.153) 5.431 4.651 ( 1.979 -6.666 1.057) 7.033 4.826 ( 5.707 -6.616 -4.442) 9.802 6.086 ( -1.236 0.336 6.445) 6.571 6.114 ( -1.749 -0.830 8.182) 8.407 6.205 ( -0.527 9.175 2.617) 9.556 6.699 ( -1.377 3.668 10.548) 11.252 6.908 ( 1.689 0.988 0.869) 2.141 6.960 ( 2.232 -1.751 7.650) 8.159 7.394 ( 0.090 16.057 -5.625) 17.014 7.997 ( -0.378 -0.488 -9.747) 9.766 8.325 ( -6.577 -2.039 9.454) 11.696 8.553 ( -4.293 -10.781 10.832) 15.874 9.212 ( 0.309 0.172 -10.553) 10.559 9.289 ( -2.707 -2.612 -9.844) 10.538======================= Grid point 115 (62/100) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( -0.828 7.364 -0.115) 7.411 1.406 ( -3.452 10.420 -0.401) 10.984 1.478 ( 4.689 0.217 3.201) 5.682 1.684 ( -4.888 4.334 9.134) 11.230 1.687 ( 1.881 3.357 1.687) 4.201 1.750 ( 2.139 -2.891 -2.432) 4.341 1.936 ( -5.736 -4.146 -1.600) 7.256 2.047 ( -6.393 -10.169 4.375) 12.784 2.170 ( 0.006 -4.330 -2.970) 5.251 2.312 ( 0.534 -2.458 -6.760) 7.213 2.553 ( 2.962 -8.415 -5.227) 10.340 2.732 ( -2.281 -11.336 -5.870) 12.967 2.954 ( 4.411 3.021 1.704) 5.611 3.059 ( 1.894 1.535 1.299) 2.763 3.136 ( -0.375 -2.153 0.731) 2.305 3.284 ( -0.325 -0.224 -0.701) 0.805 3.436 ( 0.358 10.351 5.331) 11.649 3.863 ( -2.969 13.682 10.250) 17.352 4.025 ( -0.639 4.690 2.788) 5.493 4.221 ( 3.017 1.065 -2.100) 3.827 4.226 ( 8.023 -4.691 -3.819) 10.047 4.364 ( -4.139 7.814 -1.114) 8.913 4.690 ( 0.280 -7.733 3.607) 8.538 4.896 ( 2.836 -8.329 -5.763) 10.518 6.070 ( -1.934 0.656 3.731) 4.253 6.115 ( -1.473 -1.006 10.208) 10.363 6.211 ( -0.019 9.371 3.734) 10.087 6.705 ( -1.602 6.104 10.580) 12.319 6.912 ( -2.258 2.243 9.681) 10.191 7.036 ( 2.722 -7.822 -4.127) 9.254 7.389 ( 1.822 13.941 -6.543) 15.508 7.965 ( 0.474 -1.588 -5.567) 5.808 8.254 ( -3.353 0.325 10.766) 11.281 8.520 ( -2.791 -9.797 9.935) 14.229 9.192 ( 1.274 -0.807 -10.267) 10.377 9.214 ( -0.484 -1.629 -9.751) 9.898======================= Grid point 116 (63/100) =======================q-point: (-0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( -4.807 7.603 2.117) 9.241 1.346 ( -3.122 8.977 0.776) 9.536 1.479 ( -6.772 -1.124 -3.391) 7.656 1.536 ( -5.309 1.258 9.448) 10.910 1.717 ( 0.951 -0.301 -3.816) 3.944 1.817 ( 0.694 -0.252 4.522) 4.582 1.921 ( 5.214 -3.436 -0.929) 6.313 2.043 ( 1.913 -8.027 6.443) 10.469 2.206 ( 6.507 3.858 -6.136) 9.740 2.367 ( 5.827 -7.763 -1.888) 9.888 2.503 ( -3.753 -10.753 -7.255) 13.503 2.751 ( 3.528 -2.594 -3.374) 5.528 3.022 ( 1.981 -1.380 -1.074) 2.643 3.075 ( 0.409 -1.178 -0.053) 1.248 3.132 ( -0.299 -2.579 0.661) 2.679 3.245 ( -1.241 -1.907 -5.292) 5.760 3.455 ( -3.167 14.152 12.169) 18.931 3.881 ( 0.989 11.446 8.230) 14.133 4.002 ( -2.245 4.547 0.944) 5.158 4.201 ( -4.905 4.936 -1.047) 7.037 4.270 ( 0.897 0.663 0.174) 1.129 4.400 ( 5.124 1.989 -4.826) 7.314 4.687 ( -1.383 -7.350 3.925) 8.446 4.898 ( -0.836 -8.304 -5.623) 10.064 6.047 ( -1.335 1.058 3.885) 4.242 6.122 ( -1.372 -0.757 9.979) 10.101 6.223 ( -0.394 8.547 4.419) 9.630 6.712 ( -1.251 7.572 10.204) 12.768 6.897 ( -2.591 1.950 10.196) 10.700 7.020 ( -2.280 -8.242 -5.332) 10.078 7.411 ( 2.154 11.379 -7.368) 13.726 7.984 ( 3.100 -2.274 -6.721) 7.743 8.285 ( 2.565 -0.067 14.101) 14.333 8.505 ( -2.034 -8.783 8.957) 12.709 9.174 ( 1.594 -0.733 -10.521) 10.666 9.226 ( 4.125 -1.554 -9.671) 10.629======================= Grid point 117 (64/100) =======================q-point: (-0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( -4.881 9.256 4.323) 11.322 1.221 ( -8.035 9.569 3.712) 13.035 1.384 ( -0.179 5.687 -2.673) 6.286 1.500 ( -2.647 -1.156 9.436) 9.869 1.740 ( 2.197 1.421 -3.659) 4.498 1.825 ( -0.348 0.215 -0.908) 0.996 2.031 ( 3.868 -7.485 2.715) 8.852 2.112 ( 5.087 -1.050 0.777) 5.252 2.339 ( 4.282 6.110 -3.837) 8.390 2.387 ( -0.805 -9.092 -8.848) 12.712 2.576 ( 10.269 -7.200 2.519) 12.792 2.780 ( 0.392 1.351 0.794) 1.615 3.018 ( -1.565 1.574 -1.587) 2.729 3.109 ( 2.018 -1.960 1.766) 3.321 3.129 ( 0.312 -4.792 -0.546) 4.833 3.208 ( -0.708 -2.303 -3.376) 4.148 3.415 ( -3.747 8.199 9.442) 13.054 3.872 ( -5.160 5.251 4.675) 8.721 3.950 ( -2.146 2.745 -4.273) 5.513 4.153 ( 1.419 9.409 0.986) 9.566 4.258 ( -2.713 -5.958 1.559) 6.729 4.433 ( -0.475 2.882 -2.823) 4.062 4.688 ( 0.788 -4.161 0.977) 4.346 4.819 ( -4.925 -6.756 -4.411) 9.453 6.047 ( -0.153 1.288 4.358) 4.547 6.128 ( -1.840 -0.746 10.983) 11.161 6.224 ( -0.730 8.020 3.166) 8.653 6.725 ( -1.168 8.375 10.239) 13.279 6.876 ( -2.209 -1.218 2.564) 3.597 6.933 ( -4.612 -4.542 3.392) 7.308 7.417 ( 1.001 12.626 -6.272) 14.133 8.022 ( 3.301 -1.498 -10.182) 10.808 8.442 ( 4.853 -5.923 14.142) 16.082 8.510 ( 1.125 -7.175 8.346) 11.064 9.191 ( 3.569 0.013 -10.728) 11.306 9.300 ( 6.366 -2.161 -10.326) 12.322======================= Grid point 118 (65/100) =======================q-point: (-0.14 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -0.002 12.528 6.626) 14.172 1.117 ( -3.496 11.864 6.732) 14.082 1.403 ( 1.587 9.285 1.500) 9.538 1.489 ( -1.227 -0.652 6.401) 6.550 1.752 ( 0.540 5.775 -0.539) 5.825 1.841 ( 2.994 -2.246 -5.755) 6.865 2.098 ( 1.859 -5.179 1.294) 5.653 2.219 ( 3.250 0.375 -0.647) 3.335 2.332 ( 2.416 -2.284 -5.413) 6.352 2.439 ( 4.257 -2.544 -4.025) 6.388 2.602 ( -7.987 7.879 5.811) 12.635 2.866 ( 2.739 -2.439 -2.247) 4.301 3.021 ( 4.462 1.176 4.069) 6.152 3.092 ( -2.800 -4.814 -3.253) 6.449 3.166 ( 0.256 1.105 1.832) 2.155 3.219 ( 2.143 -3.967 2.752) 5.282 3.384 ( -0.222 3.727 5.549) 6.689 3.740 ( -7.473 -1.050 -0.047) 7.546 3.911 ( 0.815 -0.664 -6.058) 6.149 4.152 ( -6.235 -11.503 0.555) 13.096 4.240 ( 4.220 7.044 0.733) 8.244 4.411 ( 0.036 4.199 0.493) 4.228 4.664 ( -7.123 -3.903 -2.948) 8.641 4.712 ( -0.277 -1.870 -1.693) 2.538 6.067 ( 0.324 1.084 4.628) 4.764 6.122 ( -2.563 -0.264 11.509) 11.794 6.222 ( -0.389 7.464 2.072) 7.756 6.729 ( -2.382 5.192 9.214) 10.841 6.807 ( -1.718 -2.867 -6.940) 7.703 6.902 ( -2.762 2.503 16.015) 16.443 7.415 ( 0.825 14.548 -4.713) 15.314 8.045 ( 2.726 -0.454 -11.655) 11.978 8.479 ( -1.816 -6.551 9.239) 11.470 8.652 ( 4.638 -11.515 8.863) 15.253 9.233 ( 3.941 0.731 -10.685) 11.412 9.398 ( 6.236 -3.406 -12.154) 14.079======================= Grid point 119 (66/100) =======================q-point: ( 0.00 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 1.642 8.211 2.506) 8.740 1.331 ( 1.265 3.235 1.920) 3.969 1.582 ( 3.165 5.124 6.629) 8.956 1.590 ( 4.339 3.647 3.019) 6.422 1.790 ( -0.655 1.645 -2.592) 3.139 1.890 ( 0.527 -1.491 -1.315) 2.057 2.050 ( 2.033 -2.211 4.484) 5.397 2.160 ( 1.127 -9.283 -0.523) 9.365 2.323 ( -1.208 3.007 -7.831) 8.475 2.404 ( -2.414 -4.603 -7.491) 9.117 2.755 ( -2.339 10.437 -1.019) 10.745 2.843 ( -0.841 1.563 -2.793) 3.309 3.020 ( -2.598 3.689 1.055) 4.633 3.084 ( 0.983 0.120 0.225) 1.015 3.175 ( 0.111 -1.955 -0.519) 2.025 3.227 ( 0.496 -1.279 -1.883) 2.329 3.446 ( -1.677 0.939 3.968) 4.409 3.641 ( -2.620 -6.182 3.702) 7.667 3.732 ( -2.600 -1.122 4.379) 5.215 3.858 ( 3.397 -6.273 -1.167) 7.229 4.412 ( 0.980 3.816 1.822) 4.341 4.477 ( -4.104 -1.586 0.115) 4.401 4.534 ( 1.756 3.913 0.094) 4.290 4.630 ( -1.201 -4.263 -2.058) 4.884 6.098 ( -1.153 0.525 7.374) 7.482 6.108 ( -1.712 -0.472 9.010) 9.183 6.385 ( -0.397 8.626 1.144) 8.711 6.560 ( -0.601 -8.285 -0.346) 8.314 6.936 ( -1.082 4.493 10.961) 11.896 6.960 ( -1.839 1.433 14.538) 14.724 7.718 ( 0.804 14.090 -1.182) 14.163 7.969 ( 1.503 -9.162 -5.907) 11.004 8.401 ( -1.818 0.727 5.088) 5.452 8.489 ( -1.875 -7.352 3.371) 8.302 9.290 ( 2.597 2.072 -13.714) 14.111 9.351 ( 2.332 -3.854 -14.845) 15.513======================= Grid point 120 (67/100) =======================q-point: ( 0.14 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 2.272 7.237 1.561) 7.744 1.371 ( 1.811 2.348 2.117) 3.643 1.637 ( 1.050 8.400 2.129) 8.729 1.699 ( 3.700 9.337 3.520) 10.642 1.767 ( -0.172 -2.671 -2.848) 3.908 1.895 ( -0.330 -1.362 0.624) 1.534 2.077 ( -1.275 -3.494 3.927) 5.409 2.153 ( -2.560 -8.182 0.754) 8.606 2.242 ( -3.816 -0.777 -5.926) 7.092 2.256 ( -8.070 -3.661 -4.629) 9.998 2.642 ( -6.670 2.919 -6.235) 9.585 2.756 ( -7.950 -5.843 -4.646) 10.905 2.985 ( 1.131 13.368 2.699) 13.685 3.110 ( 0.807 5.476 -1.617) 5.767 3.145 ( -2.068 -1.663 -1.054) 2.855 3.201 ( 0.684 -1.672 1.963) 2.668 3.472 ( 1.409 -1.832 0.661) 2.404 3.621 ( 3.054 -13.921 1.244) 14.306 3.864 ( 8.904 7.184 7.830) 13.863 3.987 ( 7.525 -4.198 1.159) 8.694 4.360 ( -5.671 5.639 -0.122) 7.999 4.443 ( 0.811 -1.593 2.291) 2.906 4.583 ( 0.108 -0.296 -0.855) 0.911 4.630 ( 3.162 -3.588 -0.435) 4.802 6.095 ( -1.623 0.422 7.939) 8.114 6.106 ( -1.489 -0.625 7.524) 7.696 6.388 ( 0.187 9.040 2.163) 9.297 6.568 ( 1.087 -8.294 1.944) 8.588 6.953 ( -0.722 4.078 8.668) 9.607 6.974 ( -1.767 1.415 13.376) 13.566 7.721 ( -0.097 14.181 -1.999) 14.322 7.966 ( 0.244 -8.380 -6.924) 10.873 8.365 ( -3.504 0.067 5.605) 6.610 8.432 ( -4.478 -6.369 5.278) 9.406 9.268 ( 0.162 1.423 -13.375) 13.451 9.312 ( -0.705 -2.966 -13.890) 14.221======================= Grid point 121 (68/100) =======================q-point: ( 0.29 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( 1.014 6.944 -0.233) 7.022 1.421 ( 2.392 0.781 1.606) 2.985 1.659 ( 0.981 7.545 0.924) 7.665 1.731 ( 0.369 8.571 -0.907) 8.627 1.770 ( -1.734 -0.125 0.218) 1.752 1.849 ( -4.084 2.023 2.454) 5.176 2.008 ( -10.028 -4.753 3.307) 11.580 2.024 ( -6.750 -6.916 0.488) 9.676 2.093 ( -3.217 -0.738 -1.764) 3.743 2.213 ( 1.137 -7.984 -2.764) 8.524 2.492 ( -4.035 -0.191 -10.508) 11.258 2.570 ( -4.772 -8.457 -7.391) 12.203 3.024 ( 0.439 6.462 -1.409) 6.628 3.092 ( -0.727 1.084 -2.170) 2.532 3.129 ( 0.377 3.320 0.396) 3.365 3.242 ( 0.655 -4.185 0.379) 4.252 3.537 ( 6.291 9.345 4.388) 12.089 3.793 ( 10.428 -13.385 3.073) 17.244 4.052 ( 5.382 5.961 8.239) 11.506 4.108 ( 2.297 0.602 1.977) 3.090 4.276 ( -1.686 8.359 1.190) 8.610 4.468 ( 0.943 -8.768 3.468) 9.476 4.568 ( -1.131 4.774 -0.177) 4.909 4.691 ( 2.376 -6.569 -1.281) 7.102 6.091 ( -1.515 0.228 7.432) 7.588 6.099 ( -1.736 -0.587 7.497) 7.718 6.407 ( 0.698 10.377 2.760) 10.760 6.612 ( 1.878 -9.134 3.932) 10.120 6.965 ( -0.683 3.033 5.244) 6.096 6.980 ( -2.124 1.223 12.063) 12.310 7.699 ( -0.985 13.738 -3.349) 14.175 7.929 ( -1.195 -7.597 -6.975) 10.382 8.304 ( -3.963 0.650 6.525) 7.662 8.371 ( -3.412 -6.132 7.657) 10.386 9.216 ( -0.206 0.519 -12.825) 12.837 9.240 ( -1.171 -1.905 -12.844) 13.037======================= Grid point 122 (69/100) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( -1.237 7.180 -0.516) 7.304 1.460 ( -0.029 -3.192 0.693) 3.267 1.627 ( -5.681 9.960 -1.060) 11.515 1.712 ( 0.262 0.554 0.610) 0.865 1.731 ( -5.487 1.105 -2.151) 5.996 1.788 ( 0.978 1.495 1.216) 2.162 1.842 ( -4.659 -3.510 5.641) 8.115 1.889 ( -4.043 -4.466 1.070) 6.118 2.084 ( 1.797 -0.639 0.214) 1.919 2.222 ( 0.119 -10.598 -3.303) 11.102 2.432 ( 1.620 2.429 -9.444) 9.885 2.546 ( 4.740 -7.195 -9.925) 13.143 3.013 ( -0.173 2.762 -1.830) 3.318 3.065 ( -1.144 -2.048 -2.015) 3.092 3.139 ( 0.030 3.194 -0.308) 3.209 3.225 ( -1.205 -4.517 -3.233) 5.684 3.719 ( 6.782 15.382 8.019) 18.625 3.996 ( 6.104 -8.969 4.488) 11.740 4.107 ( -0.833 2.817 2.707) 3.995 4.125 ( -0.631 2.591 6.244) 6.790 4.298 ( 1.329 7.111 3.968) 8.251 4.498 ( -0.255 -9.673 6.008) 11.390 4.541 ( -0.711 7.923 -1.155) 8.038 4.720 ( 1.316 -8.861 -2.801) 9.386 6.081 ( -1.797 0.516 6.312) 6.584 6.094 ( -1.548 -0.857 8.828) 9.003 6.430 ( 0.436 11.641 2.555) 11.926 6.661 ( 1.158 -9.781 4.410) 10.791 6.957 ( -1.733 2.231 3.896) 4.812 6.973 ( -2.544 0.370 10.389) 10.703 7.668 ( -0.366 12.868 -3.840) 13.434 7.884 ( -0.450 -7.386 -5.278) 9.089 8.269 ( -1.575 1.721 7.127) 7.499 8.346 ( -1.734 -6.279 7.900) 10.240 9.179 ( 1.045 -0.282 -12.604) 12.651 9.186 ( 0.736 -0.967 -12.333) 12.393======================= Grid point 123 (70/100) =======================q-point: (-0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( -3.796 6.944 1.173) 8.000 1.409 ( -3.566 -4.677 -0.752) 5.929 1.522 ( -4.367 6.754 -0.451) 8.056 1.580 ( -6.525 1.270 1.774) 6.880 1.716 ( 1.317 1.170 -1.554) 2.349 1.806 ( 1.112 -6.394 0.484) 6.508 1.875 ( 3.180 4.792 2.730) 6.367 1.949 ( 6.255 -2.254 5.079) 8.367 2.151 ( 5.128 -3.946 -2.760) 7.035 2.218 ( 2.187 -9.331 -4.034) 10.399 2.470 ( 4.989 8.044 -9.714) 13.563 2.646 ( 7.256 -7.679 -9.318) 14.087 3.006 ( -0.219 0.591 -1.859) 1.962 3.038 ( -0.615 -2.175 -0.826) 2.406 3.129 ( -0.487 1.660 -0.810) 1.910 3.184 ( -1.340 -3.375 -3.343) 4.935 3.792 ( -3.447 17.131 9.379) 19.832 4.048 ( -0.753 1.734 3.490) 3.969 4.083 ( -4.525 2.318 4.896) 7.058 4.123 ( -2.397 -9.473 4.631) 10.813 4.324 ( 0.427 7.683 3.106) 8.298 4.511 ( -0.242 -9.403 5.340) 10.816 4.543 ( 1.662 8.675 -1.263) 8.923 4.723 ( -0.269 -8.743 -2.769) 9.175 6.071 ( -1.330 1.233 6.793) 7.031 6.097 ( -1.319 -1.358 9.304) 9.494 6.437 ( -0.571 11.834 1.404) 11.931 6.682 ( -0.502 -10.876 1.869) 11.047 6.928 ( -2.236 2.840 4.587) 5.840 6.954 ( -2.978 0.327 12.255) 12.616 7.663 ( 1.024 12.346 -3.226) 12.802 7.882 ( 1.829 -8.255 -4.431) 9.546 8.295 ( 1.664 1.215 6.848) 7.151 8.354 ( -0.166 -5.126 6.976) 8.658 9.169 ( 2.794 0.405 -12.703) 13.013 9.191 ( 3.779 -1.630 -12.362) 13.029======================= Grid point 124 (71/100) =======================q-point: (-0.29 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( -1.873 8.641 2.207) 9.113 1.345 ( -2.329 -0.940 -1.519) 2.936 1.453 ( -1.496 4.490 3.156) 5.688 1.506 ( -2.091 -0.074 3.761) 4.304 1.758 ( 2.763 1.020 -0.794) 3.051 1.839 ( 1.422 -4.015 1.144) 4.410 1.934 ( 1.627 4.370 2.292) 5.196 2.095 ( 5.387 -5.522 0.924) 7.770 2.221 ( 4.873 -0.607 -6.779) 8.371 2.339 ( 7.354 -7.656 -3.786) 11.271 2.576 ( 9.352 8.775 -8.089) 15.162 2.752 ( 5.771 -5.998 -8.142) 11.643 2.991 ( 0.230 -0.017 -2.125) 2.138 3.044 ( 1.114 -3.879 1.577) 4.333 3.116 ( -0.714 1.709 -0.634) 1.958 3.158 ( -0.231 -2.381 -1.517) 2.833 3.688 ( -8.764 16.507 9.895) 21.147 3.961 ( -8.536 2.203 3.015) 9.317 3.988 ( -5.240 -0.262 -0.639) 5.285 4.026 ( -8.336 -12.752 7.281) 16.886 4.362 ( 2.197 9.347 0.876) 9.642 4.498 ( -2.058 -0.661 2.797) 3.535 4.602 ( 3.041 -1.087 -0.615) 3.287 4.685 ( -2.488 -6.147 -1.391) 6.775 6.076 ( -0.694 1.482 7.317) 7.498 6.105 ( -1.307 -1.346 9.759) 9.937 6.419 ( -1.256 10.800 0.247) 10.876 6.650 ( -2.287 -11.326 -1.908) 11.711 6.911 ( -1.641 4.409 9.085) 10.231 6.944 ( -2.565 0.810 14.072) 14.327 7.680 ( 1.394 12.842 -2.219) 13.106 7.916 ( 2.690 -9.248 -4.786) 10.755 8.367 ( 1.712 -1.015 6.084) 6.401 8.396 ( 2.710 -3.600 5.274) 6.937 9.203 ( 4.800 1.352 -13.082) 14.000 9.246 ( 5.775 -2.731 -13.061) 14.540======================= Grid point 125 (72/100) =======================q-point: (-0.14 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( 0.334 9.022 2.687) 9.420 1.313 ( -0.317 3.463 0.668) 3.541 1.486 ( 2.618 2.255 5.854) 6.798 1.517 ( 1.717 0.782 4.027) 4.447 1.799 ( 0.780 1.028 -0.542) 1.399 1.870 ( 1.624 0.948 -0.429) 1.929 1.984 ( 2.471 -0.533 3.344) 4.192 2.143 ( 1.026 -9.992 -2.999) 10.483 2.320 ( 4.690 4.943 -6.957) 9.738 2.413 ( 2.939 -2.612 -7.729) 8.672 2.743 ( 5.198 5.402 -3.063) 8.099 2.827 ( 4.095 -2.396 -6.060) 7.697 3.023 ( 2.802 0.976 -0.406) 2.995 3.078 ( -1.019 0.628 0.888) 1.490 3.127 ( 4.866 -2.909 1.819) 5.954 3.158 ( 0.807 -2.345 -0.302) 2.499 3.538 ( -8.221 12.346 7.669) 16.698 3.771 ( -9.723 1.097 1.574) 9.910 3.858 ( -8.628 -9.807 5.827) 14.303 3.880 ( -4.521 -6.318 -1.750) 7.963 4.396 ( 0.772 6.694 -0.065) 6.739 4.475 ( -0.311 0.420 2.404) 2.460 4.599 ( -3.580 -0.817 -1.902) 4.136 4.650 ( -0.085 -3.831 -0.322) 3.845 6.089 ( -0.684 1.094 7.384) 7.496 6.110 ( -1.672 -0.883 9.744) 9.925 6.396 ( -0.930 9.388 0.228) 9.437 6.593 ( -2.081 -9.682 -2.175) 10.139 6.920 ( -1.284 4.662 11.337) 12.325 6.948 ( -2.163 1.263 14.874) 15.084 7.701 ( 1.224 13.619 -1.367) 13.742 7.950 ( 2.277 -9.552 -5.230) 11.126 8.401 ( -0.059 0.230 5.213) 5.219 8.473 ( 2.085 -6.207 3.661) 7.502 9.260 ( 4.896 2.036 -13.554) 14.554 9.319 ( 5.538 -3.726 -14.336) 15.814======================= Grid point 147 (73/100) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( 4.345 0.000 12.957) 13.666 1.145 ( 1.992 0.000 2.118) 2.908 1.232 ( 3.836 0.000 11.706) 12.319 1.416 ( -5.332 0.000 0.854) 5.400 1.586 ( -2.173 0.000 -8.800) 9.064 1.729 ( 2.347 0.000 -10.492) 10.751 1.996 ( -0.068 0.000 7.454) 7.454 2.162 ( -0.027 0.000 -7.025) 7.025 2.432 ( -8.656 0.000 13.065) 15.672 2.597 ( 7.757 0.000 0.068) 7.758 2.678 ( -1.254 0.000 2.123) 2.465 2.749 ( 0.387 0.000 -7.193) 7.204 3.115 ( 0.142 0.000 3.174) 3.177 3.181 ( 0.589 0.000 -2.823) 2.884 3.250 ( -8.746 0.000 4.275) 9.734 3.326 ( 5.807 0.000 -2.170) 6.199 3.601 ( -5.565 0.000 15.534) 16.500 3.840 ( 6.495 0.000 -5.091) 8.252 3.987 ( 2.070 0.000 4.541) 4.991 4.083 ( -0.572 0.000 -0.116) 0.583 4.181 ( 3.142 0.000 -5.743) 6.546 4.191 ( -4.089 0.000 -13.377) 13.988 4.602 ( 0.542 0.000 0.467) 0.715 4.611 ( -0.379 0.000 -0.338) 0.508 6.080 ( 1.081 0.000 0.614) 1.243 6.083 ( -1.194 0.000 0.473) 1.284 6.369 ( -3.154 0.000 13.423) 13.788 6.598 ( -0.018 0.000 3.145) 3.145 6.658 ( 1.567 0.000 -9.006) 9.142 6.745 ( 0.734 0.000 -6.030) 6.074 7.281 ( -2.722 0.000 20.164) 20.347 7.686 ( 2.467 0.000 -17.733) 17.904 8.804 ( -2.656 0.000 9.815) 10.168 9.010 ( 1.528 0.000 -9.507) 9.629 9.330 ( -3.603 0.000 2.910) 4.631 9.393 ( 2.349 0.000 -2.991) 3.803======================= Grid point 148 (74/100) =======================q-point: ( 0.14 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 0.086 0.000 6.094) 6.095 1.130 ( -1.772 0.000 -8.747) 8.925 1.368 ( 4.241 0.000 11.136) 11.916 1.396 ( 2.177 0.000 -6.858) 7.195 1.552 ( 2.188 0.000 5.464) 5.885 1.801 ( 8.021 0.000 -10.346) 13.091 2.043 ( -0.366 0.000 7.111) 7.120 2.167 ( 3.061 0.000 -7.073) 7.707 2.387 ( 0.941 0.000 14.640) 14.671 2.604 ( -4.947 0.000 -0.070) 4.948 2.647 ( -8.247 0.000 -4.316) 9.308 2.752 ( 6.433 0.000 -2.131) 6.777 3.096 ( -5.978 0.000 4.239) 7.328 3.158 ( 2.660 0.000 3.137) 4.113 3.226 ( 2.095 0.000 2.998) 3.657 3.418 ( 3.181 0.000 -0.761) 3.271 3.529 ( -4.352 0.000 8.989) 9.987 3.882 ( -14.034 0.000 -0.025) 14.034 3.972 ( 5.850 0.000 -4.883) 7.620 4.004 ( -1.864 0.000 3.087) 3.606 4.068 ( -4.095 0.000 -11.578) 12.281 4.166 ( -1.799 0.000 -4.520) 4.865 4.686 ( 6.251 0.000 0.880) 6.313 4.712 ( 7.900 0.000 -2.227) 8.208 6.050 ( -1.859 0.000 0.421) 1.906 6.092 ( -0.119 0.000 0.431) 0.447 6.385 ( -0.366 0.000 14.419) 14.423 6.614 ( -0.188 0.000 5.604) 5.607 6.712 ( 6.981 0.000 -11.158) 13.162 6.748 ( 1.635 0.000 -6.202) 6.413 7.301 ( -2.394 0.000 19.882) 20.026 7.675 ( 2.713 0.000 -17.692) 17.899 8.782 ( -3.491 0.000 11.749) 12.257 9.013 ( 1.989 0.000 -8.735) 8.959 9.199 ( -9.288 0.000 6.119) 11.122 9.373 ( -3.255 0.000 -3.365) 4.682======================= Grid point 149 (75/100) =======================q-point: ( 0.29 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -1.537 0.000 2.854) 3.241 1.098 ( 1.690 0.000 -6.118) 6.348 1.398 ( 4.238 0.000 -15.262) 15.840 1.489 ( 4.722 0.000 9.570) 10.672 1.712 ( 7.117 0.000 11.389) 13.430 1.932 ( 3.234 0.000 -2.839) 4.304 2.021 ( -1.292 0.000 3.540) 3.768 2.232 ( 4.090 0.000 -2.710) 4.906 2.412 ( -1.861 0.000 -6.174) 6.449 2.417 ( -10.578 0.000 -3.048) 11.009 2.646 ( 8.003 0.000 10.899) 13.521 2.781 ( -3.735 0.000 0.411) 3.757 3.076 ( 2.353 0.000 -0.297) 2.372 3.229 ( 2.567 0.000 3.127) 4.046 3.252 ( -1.480 0.000 13.298) 13.380 3.454 ( -0.134 0.000 1.940) 1.945 3.523 ( 1.859 0.000 -0.222) 1.872 3.550 ( -15.398 0.000 0.555) 15.408 3.916 ( -6.719 0.000 -8.801) 11.073 3.940 ( -3.761 0.000 -3.866) 5.394 4.083 ( 5.667 0.000 -5.603) 7.970 4.119 ( -1.474 0.000 -1.188) 1.893 4.817 ( 5.042 0.000 1.910) 5.392 4.854 ( 6.570 0.000 -4.526) 7.979 6.020 ( -1.069 0.000 0.547) 1.201 6.079 ( -1.167 0.000 -0.018) 1.167 6.448 ( 0.728 0.000 16.693) 16.709 6.627 ( -0.814 0.000 6.718) 6.767 6.765 ( 2.083 0.000 -6.397) 6.727 6.835 ( 8.298 0.000 -13.461) 15.813 7.324 ( -2.220 0.000 18.624) 18.755 7.672 ( 3.123 0.000 -17.237) 17.518 8.740 ( -4.989 0.000 15.309) 16.101 9.031 ( 2.716 0.000 -7.808) 8.267 9.045 ( -7.337 0.000 8.368) 11.129 9.250 ( -6.248 0.000 -6.159) 8.773======================= Grid point 150 (76/100) =======================q-point: (-0.57 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( -1.959 0.000 3.375) 3.902 1.115 ( 0.958 0.000 -3.737) 3.858 1.530 ( 12.544 0.000 -8.235) 15.006 1.645 ( 6.485 0.000 6.750) 9.361 1.796 ( -13.167 0.000 3.055) 13.517 1.839 ( 1.683 0.000 2.506) 3.019 2.048 ( 1.304 0.000 -0.035) 1.305 2.125 ( -10.544 0.000 4.388) 11.421 2.400 ( 3.865 0.000 -2.904) 4.835 2.448 ( 7.778 0.000 -9.875) 12.570 2.696 ( -1.400 0.000 5.970) 6.132 2.811 ( 2.285 0.000 4.389) 4.948 3.080 ( -2.060 0.000 -1.083) 2.328 3.157 ( -9.632 0.000 -5.051) 10.876 3.331 ( 4.184 0.000 11.740) 12.464 3.359 ( -2.239 0.000 14.506) 14.678 3.511 ( 3.626 0.000 3.927) 5.345 3.564 ( 1.629 0.000 -1.133) 1.984 3.748 ( -5.789 0.000 -9.124) 10.806 3.836 ( -3.439 0.000 -9.559) 10.159 4.095 ( -0.690 0.000 -0.234) 0.729 4.158 ( 3.847 0.000 -6.859) 7.864 4.889 ( 1.125 0.000 1.898) 2.207 4.941 ( 3.418 0.000 -5.140) 6.173 6.015 ( 0.430 0.000 0.766) 0.878 6.049 ( -1.454 0.000 -0.300) 1.484 6.516 ( -0.670 0.000 18.266) 18.278 6.628 ( -1.492 0.000 7.149) 7.303 6.784 ( 1.888 0.000 -6.308) 6.584 6.925 ( 4.774 0.000 -14.535) 15.299 7.336 ( -2.896 0.000 15.812) 16.075 7.680 ( 3.463 0.000 -16.576) 16.934 8.720 ( -1.798 0.000 18.765) 18.851 8.959 ( -4.352 0.000 8.276) 9.350 9.066 ( 2.961 0.000 -7.085) 7.679 9.107 ( -3.945 0.000 -9.348) 10.146======================= Grid point 151 (77/100) =======================q-point: (-0.43 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( -1.160 0.000 4.973) 5.106 1.114 ( 0.359 0.000 -3.270) 3.290 1.431 ( -18.990 0.000 1.355) 19.039 1.745 ( 1.905 0.000 -1.212) 2.258 1.802 ( 2.696 0.000 4.802) 5.507 1.821 ( 1.734 0.000 -2.499) 3.041 2.004 ( -0.819 0.000 5.761) 5.819 2.129 ( 7.208 0.000 4.257) 8.372 2.348 ( -4.806 0.000 -1.647) 5.080 2.502 ( -3.815 0.000 -10.821) 11.474 2.758 ( -1.931 0.000 -0.483) 1.991 2.842 ( 7.725 0.000 3.331) 8.412 3.034 ( 0.001 0.000 4.189) 4.189 3.055 ( -1.082 0.000 1.713) 2.026 3.350 ( -3.723 0.000 12.711) 13.245 3.443 ( 2.331 0.000 6.270) 6.690 3.549 ( -3.594 0.000 1.004) 3.732 3.637 ( 1.225 0.000 -5.605) 5.738 3.650 ( 4.889 0.000 0.356) 4.902 3.779 ( 2.684 0.000 -10.434) 10.773 4.082 ( -0.449 0.000 -0.996) 1.093 4.201 ( 3.246 0.000 -8.196) 8.815 4.877 ( -2.719 0.000 1.638) 3.174 4.953 ( -0.690 0.000 -4.860) 4.909 6.024 ( -0.715 0.000 -0.254) 0.759 6.039 ( 1.402 0.000 0.835) 1.632 6.537 ( -3.825 0.000 18.092) 18.492 6.618 ( -1.823 0.000 7.117) 7.347 6.793 ( 1.060 0.000 -6.186) 6.276 6.920 ( 0.040 0.000 -15.791) 15.791 7.314 ( -4.451 0.000 15.827) 16.441 7.693 ( 3.452 0.000 -16.170) 16.534 8.829 ( 5.853 0.000 18.110) 19.033 8.909 ( -3.480 0.000 7.881) 8.615 9.023 ( 0.007 0.000 -10.680) 10.680 9.120 ( 4.220 0.000 -6.988) 8.163======================= Grid point 152 (78/100) =======================q-point: (-0.29 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -8.424 0.000 4.535) 9.567 1.108 ( -0.365 0.000 -0.275) 0.457 1.128 ( -6.741 0.000 10.044) 12.097 1.672 ( -3.073 0.000 -6.742) 7.409 1.755 ( -7.985 0.000 7.603) 11.026 1.812 ( -2.151 0.000 3.222) 3.874 2.171 ( 9.374 0.000 -3.659) 10.062 2.249 ( -8.948 0.000 -3.789) 9.717 2.287 ( 0.714 0.000 1.579) 1.733 2.373 ( 8.522 0.000 0.474) 8.535 2.746 ( -3.092 0.000 3.933) 5.003 2.829 ( -3.890 0.000 -6.638) 7.694 3.052 ( 0.800 0.000 1.228) 1.465 3.196 ( 6.256 0.000 8.395) 10.470 3.305 ( -4.277 0.000 7.849) 8.938 3.466 ( -0.210 0.000 4.510) 4.515 3.478 ( -2.125 0.000 2.100) 2.987 3.653 ( 5.349 0.000 -12.353) 13.461 3.804 ( 6.714 0.000 6.151) 9.106 3.845 ( 4.420 0.000 -2.563) 5.109 4.074 ( 0.928 0.000 -3.919) 4.027 4.238 ( 3.308 0.000 -9.536) 10.093 4.798 ( -5.232 0.000 1.446) 5.428 4.873 ( -5.511 0.000 -3.954) 6.783 6.023 ( 0.656 0.000 0.047) 0.657 6.072 ( 1.305 0.000 0.746) 1.503 6.492 ( -6.292 0.000 16.542) 17.698 6.606 ( -1.703 0.000 6.578) 6.795 6.783 ( 0.175 0.000 -6.228) 6.230 6.824 ( -3.099 0.000 -16.221) 16.515 7.282 ( -4.374 0.000 18.637) 19.144 7.702 ( 3.013 0.000 -16.519) 16.792 8.863 ( -3.426 0.000 8.237) 8.921 9.011 ( 1.985 0.000 -10.540) 10.726 9.069 ( 10.529 0.000 12.069) 16.017 9.201 ( 6.038 0.000 -6.410) 8.806======================= Grid point 153 (79/100) =======================q-point: (-0.14 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( -0.793 0.000 14.360) 14.382 1.106 ( -0.022 0.000 4.156) 4.157 1.144 ( 1.116 0.000 11.148) 11.204 1.554 ( -7.013 0.000 -0.350) 7.021 1.656 ( -2.234 0.000 -5.085) 5.554 1.762 ( -2.217 0.000 -3.261) 3.943 2.050 ( -6.735 0.000 0.067) 6.736 2.201 ( -0.545 0.000 -7.068) 7.089 2.435 ( 7.672 0.000 4.856) 9.080 2.535 ( 0.578 0.000 5.975) 6.003 2.664 ( -3.194 0.000 6.808) 7.520 2.751 ( 0.328 0.000 -9.867) 9.873 3.099 ( 1.881 0.000 2.053) 2.785 3.216 ( -2.228 0.000 -1.995) 2.990 3.255 ( -0.487 0.000 0.971) 1.086 3.395 ( -5.813 0.000 1.510) 6.006 3.584 ( 2.197 0.000 18.780) 18.908 3.737 ( 5.951 0.000 -8.384) 10.282 3.913 ( 3.108 0.000 0.586) 3.163 3.977 ( 8.082 0.000 2.006) 8.327 4.110 ( 4.406 0.000 -6.506) 7.858 4.256 ( 1.490 0.000 -10.660) 10.764 4.686 ( -5.530 0.000 0.640) 5.567 4.711 ( -8.286 0.000 -1.805) 8.480 6.049 ( 1.554 0.000 0.423) 1.611 6.091 ( 0.221 0.000 0.595) 0.634 6.416 ( -5.945 0.000 14.463) 15.637 6.597 ( -1.195 0.000 5.139) 5.276 6.708 ( -2.292 0.000 -13.064) 13.264 6.761 ( 0.009 0.000 -6.112) 6.112 7.272 ( -3.440 0.000 19.993) 20.287 7.698 ( 2.568 0.000 -17.272) 17.462 8.827 ( -2.926 0.000 8.736) 9.213 9.013 ( 1.696 0.000 -10.028) 10.171 9.289 ( 6.307 0.000 4.978) 8.035 9.313 ( 6.169 0.000 -4.714) 7.764======================= Grid point 154 (80/100) =======================q-point: ( 0.00 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( 2.332 5.920 10.464) 12.247 1.152 ( 0.878 2.605 4.188) 5.010 1.348 ( 3.021 8.078 5.530) 10.245 1.464 ( -2.704 4.452 2.913) 5.968 1.630 ( -1.744 3.669 -7.409) 8.450 1.756 ( 2.465 1.618 -8.465) 8.964 2.023 ( 0.802 2.729 5.111) 5.849 2.166 ( -0.601 0.734 -6.611) 6.678 2.487 ( -7.439 5.053 11.812) 14.846 2.572 ( 3.371 -5.525 4.592) 7.936 2.600 ( 3.156 -5.082 -0.174) 5.985 2.736 ( -0.730 0.177 -9.026) 9.057 3.088 ( -2.563 -4.985 2.918) 6.319 3.136 ( -0.397 -2.556 -0.863) 2.726 3.216 ( -2.480 -1.919 3.342) 4.583 3.297 ( 1.162 -1.815 -2.646) 3.413 3.647 ( -2.317 3.066 12.298) 12.884 3.819 ( 3.051 -8.862 -0.756) 9.403 3.838 ( 5.795 -1.380 0.024) 5.957 4.045 ( -4.653 -6.854 -12.101) 14.665 4.228 ( -0.633 7.959 1.831) 8.192 4.302 ( 1.568 4.729 -4.276) 6.566 4.594 ( 0.745 -0.706 0.833) 1.322 4.620 ( -0.781 0.609 -1.721) 1.986 6.112 ( 0.825 2.724 1.359) 3.154 6.126 ( -0.861 3.911 0.175) 4.009 6.363 ( -2.997 -0.605 12.666) 13.030 6.622 ( 2.253 -1.515 -11.399) 11.718 6.724 ( -1.082 9.808 7.853) 12.611 6.892 ( 1.043 12.981 -7.444) 15.000 7.301 ( -2.774 1.989 19.661) 19.955 7.701 ( 2.506 1.429 -17.672) 17.906 8.770 ( -2.827 -3.207 10.424) 11.267 8.983 ( 1.463 -2.873 -8.751) 9.326 9.218 ( -2.358 -9.214 4.630) 10.578 9.340 ( 1.809 -5.630 -6.305) 8.645======================= Grid point 155 (81/100) =======================q-point: ( 0.14 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( -0.550 3.378 3.858) 5.157 1.190 ( 1.671 4.464 -2.809) 5.533 1.392 ( 0.778 4.594 7.199) 8.575 1.466 ( 1.019 5.311 -6.531) 8.479 1.593 ( 0.772 2.806 4.292) 5.185 1.820 ( 6.731 1.537 -8.407) 10.879 2.053 ( -1.149 0.812 5.680) 5.852 2.158 ( 1.672 -0.761 -6.777) 7.022 2.441 ( -0.609 2.500 8.012) 8.415 2.533 ( -6.191 -5.650 -0.933) 8.433 2.639 ( -1.028 -0.015 3.424) 3.575 2.749 ( 4.085 -0.250 -3.506) 5.389 3.027 ( -5.222 -7.279 7.008) 11.374 3.130 ( -0.871 -5.575 0.724) 5.689 3.191 ( 0.847 2.273 2.866) 3.754 3.305 ( 0.130 -5.922 -0.790) 5.976 3.642 ( -1.746 2.872 5.719) 6.633 3.809 ( -6.633 -4.042 -2.193) 8.071 3.940 ( 5.619 -1.333 -5.208) 7.777 3.958 ( 0.929 -3.490 -3.038) 4.719 4.112 ( -6.125 6.394 0.918) 8.901 4.311 ( -1.265 8.200 -3.875) 9.157 4.663 ( 5.350 -2.274 0.195) 5.816 4.703 ( 6.877 -0.817 -1.363) 7.058 6.099 ( -1.537 4.420 -0.038) 4.679 6.123 ( -0.342 2.543 1.044) 2.770 6.372 ( -0.724 -1.137 13.632) 13.698 6.673 ( 6.253 -1.494 -11.089) 12.818 6.731 ( -0.903 9.006 7.684) 11.873 6.889 ( 1.361 12.380 -7.724) 14.655 7.318 ( -2.469 1.687 19.547) 19.775 7.692 ( 2.750 1.525 -17.505) 17.785 8.744 ( -3.820 -3.541 12.117) 13.189 8.981 ( 0.931 -3.511 -6.309) 7.280 9.126 ( -7.006 -6.224 4.656) 10.464 9.307 ( -2.822 -6.118 -5.935) 8.979======================= Grid point 156 (82/100) =======================q-point: ( 0.29 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 0.412 3.600 1.921) 4.101 1.187 ( -0.010 7.395 -5.416) 9.166 1.446 ( 2.798 4.479 -13.497) 14.493 1.471 ( 3.977 -0.641 8.227) 9.160 1.706 ( 5.717 -0.632 9.859) 11.414 1.928 ( 2.474 -0.223 -1.257) 2.784 2.025 ( -1.566 0.268 3.285) 3.649 2.183 ( 1.537 -4.176 -2.429) 5.070 2.341 ( -8.301 -4.963 -5.181) 10.972 2.414 ( -1.285 -1.978 -4.636) 5.202 2.704 ( -7.861 -7.515 3.746) 11.502 2.749 ( 6.442 6.993 8.126) 12.508 3.025 ( 2.655 -5.880 0.011) 6.451 3.093 ( -2.296 -8.321 5.116) 10.034 3.244 ( 1.945 0.412 4.028) 4.492 3.295 ( -1.452 -7.324 -2.648) 7.922 3.518 ( -8.180 -1.811 2.212) 8.666 3.763 ( 1.413 13.000 2.788) 13.370 3.906 ( -3.527 1.762 -4.416) 5.920 4.017 ( 1.379 4.066 -3.043) 5.262 4.087 ( 3.858 1.405 -2.364) 4.738 4.241 ( -3.845 9.145 -2.286) 10.181 4.781 ( 4.866 -3.453 1.455) 6.141 4.827 ( 5.566 -2.503 -3.510) 7.040 6.070 ( -1.012 4.720 -0.106) 4.829 6.108 ( -1.375 2.412 0.609) 2.842 6.425 ( 0.424 -2.099 15.869) 16.013 6.726 ( -1.108 9.000 6.659) 11.250 6.788 ( 7.116 -3.050 -11.424) 13.800 6.891 ( 1.590 10.450 -8.093) 13.313 7.338 ( -2.379 1.405 18.741) 18.943 7.690 ( 3.123 1.573 -16.909) 17.267 8.699 ( -4.970 -3.770 15.309) 16.531 8.960 ( -3.702 -6.200 5.861) 9.300 9.029 ( -0.627 -2.061 -5.385) 5.800 9.193 ( -5.226 -5.295 -7.932) 10.875======================= Grid point 157 (83/100) =======================q-point: (-0.57 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( -1.390 5.625 3.567) 6.804 1.174 ( 0.630 5.824 -3.910) 7.043 1.531 ( 9.506 0.336 -7.879) 12.351 1.608 ( 4.504 -3.226 5.221) 7.612 1.785 ( -5.846 -0.327 1.078) 5.953 1.855 ( -2.652 0.723 3.350) 4.333 2.020 ( -1.961 -2.827 2.800) 4.436 2.095 ( -5.077 -2.317 1.743) 5.847 2.328 ( 4.139 -5.152 -1.646) 6.811 2.444 ( 4.896 -2.406 -8.938) 10.471 2.569 ( -3.228 -10.579 8.172) 13.752 2.811 ( -4.134 -4.090 -1.778) 6.082 3.022 ( 1.574 -3.987 -0.547) 4.321 3.131 ( -1.889 -5.261 1.420) 5.768 3.200 ( -1.029 -0.396 -0.901) 1.424 3.277 ( 0.286 -8.744 0.547) 8.766 3.500 ( 1.482 4.823 12.457) 13.440 3.762 ( -3.023 13.004 6.831) 14.997 3.872 ( 2.419 7.125 -8.798) 11.576 3.991 ( -1.735 11.711 -4.964) 12.838 4.153 ( -2.482 5.848 -0.300) 6.360 4.177 ( 3.910 1.618 -4.775) 6.380 4.851 ( 1.147 -3.599 1.866) 4.213 4.901 ( 2.981 -3.667 -4.447) 6.488 6.061 ( 0.106 4.259 0.245) 4.268 6.078 ( -1.435 2.568 0.282) 2.955 6.488 ( -0.628 -2.620 17.577) 17.782 6.720 ( -1.825 8.495 7.660) 11.584 6.871 ( 4.721 -2.789 -13.447) 14.522 6.894 ( 1.405 7.779 -8.412) 11.543 7.348 ( -3.009 1.332 16.893) 17.210 7.698 ( 3.414 1.552 -16.322) 16.747 8.679 ( -1.977 -3.769 18.353) 18.840 8.899 ( -4.180 -5.605 9.250) 11.596 9.035 ( 2.102 -3.017 -8.573) 9.328 9.067 ( -2.456 -3.625 -10.388) 11.273======================= Grid point 158 (84/100) =======================q-point: (-0.43 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -2.160 5.442 4.742) 7.535 1.178 ( 0.860 5.925 -2.687) 6.563 1.433 ( -15.987 0.251 0.920) 16.015 1.696 ( 2.858 -4.524 -2.776) 6.028 1.765 ( -0.318 -1.992 5.049) 5.437 1.829 ( 1.653 0.676 0.019) 1.786 2.023 ( 1.830 0.353 4.602) 4.965 2.109 ( 5.538 -1.785 1.512) 6.011 2.300 ( -3.842 -4.293 1.945) 6.081 2.447 ( -5.057 -5.187 -10.727) 12.944 2.659 ( 4.619 -10.253 4.124) 11.977 2.759 ( 6.303 -6.547 -1.058) 9.149 3.024 ( -4.120 -0.092 -1.113) 4.269 3.098 ( 3.010 1.282 1.946) 3.807 3.240 ( 1.312 -5.055 3.335) 6.197 3.266 ( -0.544 -11.472 -3.832) 12.108 3.539 ( -3.197 5.791 13.006) 14.592 3.764 ( 1.849 6.743 -2.807) 7.534 3.842 ( -2.852 11.086 0.691) 11.468 3.977 ( 1.653 15.489 -4.298) 16.159 4.115 ( 0.152 3.201 -1.315) 3.464 4.240 ( 3.483 3.041 -6.502) 7.978 4.843 ( -2.432 -3.315 1.707) 4.452 4.910 ( -0.776 -3.935 -4.265) 5.855 6.053 ( -0.689 2.664 0.848) 2.879 6.081 ( 1.266 3.862 0.148) 4.067 6.510 ( -3.524 -2.452 17.418) 17.939 6.710 ( -1.750 8.313 7.403) 11.268 6.864 ( -0.220 -4.163 -14.127) 14.729 6.901 ( 1.921 8.849 -8.342) 12.312 7.332 ( -4.254 1.821 16.690) 17.319 7.711 ( 3.337 1.441 -16.112) 16.517 8.772 ( 4.554 -5.236 17.829) 19.132 8.854 ( -3.439 -5.091 8.893) 10.809 8.991 ( 0.624 -2.959 -11.574) 11.962 9.088 ( 4.396 -3.170 -8.399) 9.996======================= Grid point 159 (85/100) =======================q-point: (-0.29 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( -6.127 4.901 6.470) 10.170 1.174 ( -4.878 5.157 0.784) 7.142 1.203 ( -0.817 7.055 6.112) 9.370 1.644 ( -2.119 -1.994 -7.078) 7.653 1.756 ( -4.259 -1.041 8.790) 9.823 1.807 ( -3.971 0.529 2.129) 4.536 2.143 ( 3.436 -2.643 -2.900) 5.216 2.230 ( 3.939 -4.266 3.396) 6.727 2.235 ( -3.964 -1.830 -5.883) 7.326 2.354 ( 6.995 -2.065 -0.502) 7.311 2.730 ( -0.365 -2.071 1.633) 2.662 2.858 ( -1.121 -0.028 -2.499) 2.739 2.995 ( 3.611 -5.693 1.385) 6.882 3.168 ( 1.721 1.118 7.202) 7.488 3.233 ( -0.525 -10.766 -4.759) 11.783 3.294 ( 2.722 -5.823 0.372) 6.439 3.489 ( -2.959 2.224 7.016) 7.932 3.742 ( -0.315 4.667 -4.770) 6.680 3.867 ( 0.323 4.858 5.929) 7.672 3.975 ( 1.232 9.093 -1.192) 9.253 4.156 ( 3.830 8.174 -6.226) 10.966 4.272 ( 1.743 2.280 -5.392) 6.108 4.775 ( -4.388 -2.267 1.220) 5.088 4.835 ( -5.081 -3.390 -3.380) 6.981 6.055 ( 0.623 2.978 1.115) 3.240 6.111 ( 1.343 3.572 0.365) 3.834 6.470 ( -5.769 -1.847 15.609) 16.743 6.700 ( -1.537 7.745 4.927) 9.307 6.782 ( -2.538 -2.869 -12.003) 12.600 6.904 ( 1.262 10.626 -7.786) 13.233 7.305 ( -4.247 2.265 18.402) 19.021 7.717 ( 2.940 1.333 -16.509) 16.821 8.818 ( -3.124 -4.209 9.105) 10.506 8.946 ( 4.735 -7.006 3.173) 9.032 9.012 ( 6.020 -3.783 -1.649) 7.298 9.169 ( 6.342 -3.466 -8.064) 10.829======================= Grid point 160 (86/100) =======================q-point: (-0.14 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -0.209 8.819 11.697) 14.651 1.132 ( -1.145 3.755 6.652) 7.725 1.256 ( 2.899 8.507 5.626) 10.603 1.554 ( -5.127 0.884 -1.969) 5.563 1.687 ( -2.420 2.882 -1.566) 4.076 1.760 ( -0.769 -0.838 -2.191) 2.468 2.048 ( -4.340 0.022 -1.115) 4.481 2.201 ( 0.162 -0.200 -5.992) 5.998 2.415 ( 8.168 -2.793 5.016) 9.984 2.502 ( 4.983 -3.912 1.969) 6.634 2.649 ( -7.508 0.395 6.665) 10.048 2.787 ( -1.978 2.861 -7.075) 7.884 3.097 ( 3.644 -3.250 -0.783) 4.945 3.172 ( -2.998 -0.620 3.103) 4.359 3.208 ( 0.186 -6.896 -2.461) 7.324 3.307 ( -0.664 -3.703 -1.268) 3.969 3.571 ( 5.006 -1.851 14.565) 15.513 3.749 ( 2.496 0.064 -3.916) 4.644 3.824 ( -3.238 -3.268 0.774) 4.665 4.081 ( 6.812 5.834 -1.374) 9.074 4.171 ( 0.254 3.566 -8.642) 9.352 4.291 ( 1.710 4.062 -1.830) 4.772 4.678 ( -5.584 -1.702 -1.045) 5.931 4.696 ( -6.070 -0.555 -0.781) 6.145 6.082 ( 1.372 2.962 1.333) 3.526 6.131 ( 0.368 3.611 0.352) 3.647 6.403 ( -5.335 -1.058 13.555) 14.605 6.658 ( -1.338 -0.508 -10.462) 10.560 6.724 ( -1.519 7.572 5.102) 9.256 6.899 ( 0.932 12.219 -7.444) 14.338 7.294 ( -3.442 2.240 19.437) 19.866 7.713 ( 2.568 1.343 -17.252) 17.494 8.791 ( -2.777 -3.439 9.526) 10.502 8.980 ( 2.038 -3.452 -9.073) 9.919 9.170 ( 5.006 -9.051 5.546) 11.736 9.279 ( 6.177 -4.623 -7.029) 10.437======================= Grid point 161 (87/100) =======================q-point: ( 0.00 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -0.285 7.036 5.846) 9.152 1.254 ( 1.564 6.718 2.255) 7.257 1.516 ( 1.989 8.291 4.140) 9.478 1.575 ( -2.178 5.957 4.554) 7.808 1.702 ( -1.326 2.538 -5.910) 6.567 1.769 ( 4.122 0.574 -6.466) 7.690 2.097 ( 1.919 3.882 2.882) 5.201 2.197 ( -1.168 1.797 -4.753) 5.214 2.385 ( 0.102 -10.272 2.526) 10.579 2.445 ( 0.853 -9.595 -2.688) 10.001 2.640 ( -0.481 7.407 8.081) 10.973 2.777 ( -1.939 1.788 -4.812) 5.487 2.978 ( -2.724 -2.200 2.622) 4.375 3.062 ( -0.334 -3.978 -4.215) 5.805 3.215 ( -2.195 0.913 2.704) 3.601 3.256 ( 0.692 -2.778 -0.837) 2.982 3.627 ( -0.156 -6.657 4.645) 8.119 3.700 ( 3.239 0.530 4.113) 5.262 3.826 ( 6.384 -0.775 -2.727) 6.986 3.908 ( -8.070 -6.516 -5.667) 11.819 4.365 ( 2.735 5.161 1.371) 6.000 4.391 ( -2.945 4.453 -1.068) 5.444 4.575 ( 2.070 -1.083 1.773) 2.933 4.624 ( -1.855 -0.537 -2.766) 3.373 6.174 ( -0.012 3.162 3.401) 4.644 6.226 ( 0.015 5.539 -1.370) 5.706 6.343 ( -2.776 -1.431 11.002) 11.437 6.563 ( 2.169 -3.912 -9.737) 10.715 6.984 ( -1.694 13.923 11.386) 18.066 7.184 ( 0.628 12.518 -2.444) 12.770 7.376 ( -1.933 6.532 11.955) 13.759 7.735 ( 2.570 1.393 -17.132) 17.379 8.685 ( -3.115 -4.635 11.929) 13.172 8.866 ( -0.643 -9.119 2.652) 9.518 9.044 ( 0.786 -5.896 -4.962) 7.746 9.186 ( 2.105 -8.474 -11.071) 14.100======================= Grid point 162 (88/100) =======================q-point: ( 0.14 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( -0.775 6.567 2.579) 7.098 1.300 ( 2.359 5.966 -0.578) 6.442 1.535 ( -1.229 7.953 2.451) 8.412 1.582 ( 1.379 5.495 3.282) 6.547 1.654 ( -1.184 3.612 -5.991) 7.095 1.851 ( 5.541 1.470 -4.777) 7.462 2.081 ( -3.271 2.346 2.333) 4.653 2.145 ( -2.170 -0.315 -4.795) 5.272 2.355 ( -2.784 -8.708 1.617) 9.284 2.380 ( -5.163 -9.292 -2.781) 10.988 2.672 ( -6.261 -6.333 1.100) 8.973 2.756 ( 4.634 5.410 3.830) 8.087 2.925 ( -3.091 -1.039 4.168) 5.292 3.011 ( -2.334 -3.071 -1.572) 4.165 3.185 ( -1.528 -2.447 2.447) 3.783 3.274 ( 1.657 1.000 1.250) 2.304 3.589 ( -5.883 -4.692 2.546) 7.944 3.757 ( 5.250 -1.994 -5.078) 7.571 3.883 ( 6.782 -1.702 -3.026) 7.619 3.995 ( 6.822 2.786 4.869) 8.833 4.240 ( -6.698 6.164 0.598) 9.122 4.456 ( 1.245 5.846 -0.794) 6.030 4.598 ( 2.153 -3.921 -0.357) 4.487 4.679 ( 4.994 -1.523 -0.116) 5.222 6.176 ( -0.832 2.663 2.892) 4.018 6.215 ( -0.572 6.365 -1.550) 6.576 6.340 ( -1.289 -1.857 11.506) 11.726 6.605 ( 5.041 -4.456 -9.601) 11.724 6.981 ( -2.498 13.396 10.948) 17.480 7.178 ( -0.075 12.945 -4.347) 13.656 7.381 ( -2.039 5.479 13.383) 14.605 7.726 ( 2.551 1.396 -16.700) 16.951 8.653 ( -4.303 -4.696 12.995) 14.472 8.844 ( -3.116 -9.525 7.197) 12.338 9.012 ( -0.939 -3.990 -8.097) 9.075 9.151 ( -1.487 -8.266 -10.797) 13.679======================= Grid point 163 (89/100) =======================q-point: ( 0.29 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 0.390 6.221 1.309) 6.370 1.346 ( 2.634 6.596 -5.007) 8.690 1.512 ( -1.083 5.339 4.252) 6.911 1.567 ( -0.928 6.959 -10.079) 12.283 1.691 ( 4.425 -0.510 5.404) 7.003 1.926 ( 0.109 -0.054 2.271) 2.274 2.033 ( -2.132 0.680 0.932) 2.424 2.090 ( -1.718 -4.285 -1.946) 5.010 2.236 ( -5.344 -5.469 -5.392) 9.356 2.316 ( -0.598 -7.218 -1.493) 7.395 2.479 ( -10.614 -11.635 4.523) 16.385 2.753 ( -6.450 -13.511 -3.062) 15.282 2.926 ( 2.030 3.312 2.864) 4.826 3.029 ( 3.339 1.995 1.773) 4.275 3.166 ( -1.036 -3.444 1.033) 3.742 3.283 ( -2.514 -1.867 -2.689) 4.128 3.536 ( 2.130 5.350 7.993) 9.851 3.909 ( 8.447 3.351 -5.978) 10.877 4.016 ( 5.506 0.579 -2.594) 6.114 4.087 ( 0.721 9.760 7.640) 12.416 4.164 ( -0.422 4.140 2.206) 4.710 4.423 ( -3.075 8.181 -2.327) 9.044 4.679 ( 4.249 -6.456 1.293) 7.836 4.762 ( 3.192 -3.627 -1.628) 5.099 6.162 ( -1.499 2.728 2.536) 4.016 6.194 ( -0.732 6.781 -1.656) 7.018 6.373 ( 0.077 -2.499 12.884) 13.125 6.685 ( 5.794 -6.166 -10.942) 13.832 6.962 ( -2.945 12.492 10.229) 16.412 7.152 ( -0.445 12.397 -5.885) 13.730 7.389 ( -2.038 4.350 14.508) 15.282 7.721 ( 2.656 0.945 -15.698) 15.949 8.607 ( -4.727 -4.531 15.187) 16.539 8.796 ( -4.475 -9.246 11.285) 15.260 8.970 ( 0.594 -3.297 -11.283) 11.769 9.061 ( -2.875 -6.887 -11.801) 13.963======================= Grid point 164 (90/100) =======================q-point: (-0.57 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( 0.761 6.181 3.127) 6.969 1.340 ( -0.831 9.305 -4.824) 10.514 1.546 ( 0.903 -1.906 3.062) 3.718 1.557 ( 3.309 2.493 -7.047) 8.175 1.779 ( 0.023 -0.827 0.279) 0.873 1.855 ( -4.503 -0.998 2.520) 5.256 1.947 ( -4.480 -3.378 5.339) 7.745 2.053 ( -0.334 -1.680 -2.616) 3.127 2.215 ( 1.869 -5.798 0.929) 6.162 2.289 ( -3.520 -10.810 6.747) 13.220 2.393 ( 3.447 -6.197 -6.357) 9.524 2.584 ( -5.968 -14.522 -7.357) 17.338 2.988 ( 3.036 0.164 1.444) 3.366 3.071 ( -0.582 -1.075 0.177) 1.235 3.153 ( -0.525 -3.303 0.614) 3.400 3.201 ( -2.309 -1.699 -4.038) 4.952 3.673 ( 4.710 11.059 12.153) 17.094 3.941 ( -1.778 7.592 -3.608) 8.592 4.117 ( 3.573 11.734 2.509) 12.520 4.157 ( 0.415 4.651 1.578) 4.929 4.196 ( 5.540 1.714 -0.620) 5.832 4.330 ( -4.759 9.571 -2.155) 10.904 4.748 ( 1.319 -6.474 2.064) 6.922 4.802 ( 1.655 -5.829 -3.054) 6.785 6.137 ( -1.581 3.368 2.728) 4.614 6.179 ( -0.090 6.358 -1.592) 6.555 6.424 ( -0.265 -3.021 14.093) 14.415 6.742 ( 3.371 -7.651 -12.825) 15.310 6.939 ( -2.616 11.802 9.956) 15.661 7.126 ( 0.186 11.197 -5.706) 12.568 7.398 ( -2.187 4.069 14.009) 14.751 7.724 ( 2.949 0.389 -14.975) 15.268 8.587 ( -2.348 -4.491 17.161) 17.894 8.749 ( -3.943 -8.459 11.595) 14.885 8.953 ( 0.662 -4.495 -12.339) 13.149 8.977 ( 0.638 -4.766 -12.588) 13.475======================= Grid point 165 (91/100) =======================q-point: (-0.43 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( -3.230 7.417 4.883) 9.449 1.322 ( 0.378 6.537 -3.509) 7.429 1.447 ( -8.605 1.887 2.281) 9.100 1.617 ( 2.558 -1.907 -3.319) 4.604 1.729 ( -3.173 -1.881 5.401) 6.541 1.847 ( 2.633 0.752 0.833) 2.862 1.984 ( 3.759 -3.794 4.045) 6.700 2.069 ( 1.376 -1.969 -4.308) 4.933 2.197 ( 0.574 -5.761 5.300) 7.849 2.312 ( -3.759 -6.446 -6.746) 10.059 2.409 ( 5.862 -12.182 2.963) 13.840 2.592 ( 8.192 -9.428 -10.077) 16.048 3.006 ( -2.690 -1.125 -0.449) 2.950 3.074 ( 2.995 -1.502 -0.020) 3.350 3.145 ( -0.383 -2.634 1.113) 2.885 3.174 ( 0.060 -2.520 -1.739) 3.062 3.724 ( -4.738 11.777 11.149) 16.895 3.908 ( -0.185 7.599 -4.828) 9.005 4.071 ( -4.925 8.945 4.334) 11.093 4.187 ( -3.389 5.673 -0.212) 6.611 4.283 ( 1.981 1.865 -3.639) 4.543 4.286 ( 4.821 11.620 -0.952) 12.616 4.747 ( -1.793 -6.074 2.024) 6.648 4.805 ( -0.571 -6.080 -3.116) 6.856 6.124 ( -0.669 4.082 3.276) 5.277 6.182 ( 0.872 5.562 -1.222) 5.760 6.449 ( -2.475 -3.082 14.069) 14.614 6.726 ( -0.129 -7.797 -13.819) 15.868 6.932 ( -1.517 11.836 10.312) 15.771 7.124 ( 1.401 10.436 -4.468) 11.438 7.396 ( -2.704 4.883 12.816) 13.979 7.733 ( 3.118 0.208 -15.096) 15.416 8.645 ( 1.897 -6.308 16.906) 18.144 8.719 ( -2.990 -7.557 11.263) 13.888 8.918 ( 1.847 -3.671 -13.821) 14.419 8.999 ( 4.456 -5.170 -11.652) 13.503======================= Grid point 166 (92/100) =======================q-point: (-0.29 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -2.977 7.915 6.382) 10.594 1.280 ( -3.350 4.457 -0.087) 5.576 1.376 ( 0.535 9.032 5.321) 10.497 1.637 ( 1.529 2.069 -5.469) 6.044 1.704 ( -1.261 -3.357 6.367) 7.308 1.836 ( -5.070 1.785 3.518) 6.424 2.074 ( 3.170 -3.792 0.206) 4.947 2.142 ( 7.240 -3.809 1.898) 8.398 2.181 ( -3.387 -3.644 -8.203) 9.593 2.292 ( 5.149 -3.069 -0.725) 6.039 2.601 ( 9.305 -10.810 -2.098) 14.417 2.732 ( 7.005 -9.011 -2.920) 11.781 2.966 ( 0.088 0.033 -1.879) 1.881 3.074 ( -2.534 -1.434 -2.388) 3.765 3.176 ( 1.279 -1.568 0.834) 2.189 3.203 ( 3.896 -4.478 3.194) 6.741 3.608 ( -7.987 9.747 5.812) 13.877 3.844 ( -3.692 5.481 -3.478) 7.468 3.957 ( -8.240 3.239 3.151) 9.398 4.162 ( 2.225 9.522 -0.667) 9.801 4.259 ( -3.393 -2.122 -3.710) 5.457 4.378 ( 3.373 9.890 0.328) 10.454 4.700 ( -2.989 -5.386 -0.315) 6.168 4.756 ( -3.061 -3.759 -1.294) 5.017 6.133 ( 0.252 4.376 3.644) 5.701 6.202 ( 1.311 4.988 -0.941) 5.243 6.423 ( -4.410 -2.529 12.791) 13.764 6.654 ( -1.617 -6.658 -12.910) 14.616 6.948 ( -0.811 12.714 10.750) 16.669 7.146 ( 1.828 10.743 -3.044) 11.314 7.383 ( -2.684 6.038 12.038) 13.732 7.741 ( 2.997 0.493 -15.845) 16.133 8.705 ( -2.356 -6.308 11.241) 13.103 8.764 ( 3.497 -9.430 12.638) 16.152 8.938 ( 4.553 -3.337 -12.018) 13.278 9.066 ( 5.944 -6.107 -11.720) 14.491======================= Grid point 167 (93/100) =======================q-point: (-0.14 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( 0.630 8.979 7.344) 11.617 1.238 ( -1.157 5.800 3.310) 6.778 1.440 ( 3.144 8.855 5.002) 10.645 1.621 ( -2.252 4.498 0.537) 5.059 1.725 ( 1.785 -0.536 -2.411) 3.047 1.751 ( -2.654 2.592 0.451) 3.737 2.065 ( -0.632 1.525 -1.889) 2.509 2.184 ( 3.269 -1.438 -2.937) 4.624 2.307 ( 6.285 -7.403 2.834) 10.116 2.384 ( 4.234 -6.474 -1.379) 7.858 2.675 ( -1.491 -0.219 0.874) 1.742 2.821 ( 0.337 -1.698 -2.066) 2.695 3.013 ( 0.202 -1.791 -2.512) 3.091 3.023 ( 3.725 -4.440 -3.574) 6.809 3.211 ( 1.929 -2.650 0.775) 3.368 3.267 ( -0.830 -0.278 1.541) 1.773 3.529 ( 1.096 0.903 7.688) 7.818 3.765 ( -4.411 1.255 -3.126) 5.550 3.798 ( -4.590 0.287 1.151) 4.741 4.114 ( -8.383 -4.465 -4.383) 10.460 4.249 ( 5.323 6.314 -0.035) 8.258 4.425 ( 0.970 7.486 1.382) 7.674 4.614 ( -4.581 -4.077 -1.682) 6.358 4.688 ( -3.131 -0.829 -0.785) 3.333 6.155 ( 0.485 3.946 3.625) 5.380 6.222 ( 0.836 4.983 -1.070) 5.165 6.374 ( -4.185 -1.763 11.474) 12.340 6.585 ( -0.508 -4.940 -11.084) 12.146 6.970 ( -0.979 13.669 11.265) 17.740 7.171 ( 1.353 11.655 -2.053) 11.912 7.375 ( -2.175 6.706 11.611) 13.584 7.742 ( 2.734 1.001 -16.737) 16.988 8.698 ( -2.380 -5.134 11.488) 12.807 8.847 ( 1.486 -9.673 4.221) 10.658 9.006 ( 4.436 -5.271 -6.124) 9.218 9.146 ( 5.425 -7.558 -11.626) 14.891======================= Grid point 168 (94/100) =======================q-point: ( 0.00 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( 0.183 4.025 2.581) 4.785 1.350 ( 1.436 1.243 -0.503) 1.965 1.641 ( 1.274 3.157 2.341) 4.131 1.670 ( 2.947 0.426 0.602) 3.038 1.765 ( -2.999 7.498 1.066) 8.145 1.828 ( 1.323 3.038 -4.040) 5.225 2.137 ( 2.311 -1.383 4.222) 5.007 2.183 ( 0.695 -8.260 1.558) 8.435 2.218 ( -0.517 1.204 -2.030) 2.416 2.275 ( -0.928 -4.959 -5.046) 7.135 2.723 ( -1.670 1.824 -0.060) 2.474 2.774 ( -0.303 -2.192 -3.842) 4.434 3.039 ( -1.840 6.414 0.852) 6.727 3.064 ( 1.340 4.510 -1.524) 4.945 3.174 ( 1.121 -5.012 0.205) 5.140 3.185 ( -1.201 -4.769 -1.156) 5.052 3.578 ( -3.028 2.781 7.037) 8.150 3.679 ( -2.866 -4.334 -1.224) 5.338 3.794 ( 0.172 -0.938 1.323) 1.631 3.815 ( 3.754 -2.146 -1.827) 4.694 4.443 ( 2.832 2.828 1.162) 4.168 4.465 ( -4.465 1.551 -0.948) 4.820 4.562 ( 2.310 0.437 1.841) 2.986 4.596 ( -1.969 -2.020 -1.414) 3.155 6.238 ( -1.210 3.054 5.971) 6.815 6.294 ( -1.785 -2.009 7.301) 7.780 6.353 ( 0.629 5.430 -2.467) 5.997 6.468 ( 1.805 -5.366 -6.739) 8.801 7.224 ( -2.371 8.409 14.314) 16.770 7.304 ( -2.271 0.455 14.578) 14.761 7.582 ( 1.544 10.675 -8.544) 13.760 7.727 ( 2.476 -3.156 -14.792) 15.326 8.616 ( -3.008 -1.012 13.205) 13.581 8.679 ( -2.305 -7.194 11.756) 13.974 8.983 ( 2.684 -0.307 -13.877) 14.138 9.036 ( 2.585 -5.436 -14.471) 15.673======================= Grid point 169 (95/100) =======================q-point: ( 0.14 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 0.488 5.021 0.323) 5.055 1.379 ( 1.746 0.580 -1.797) 2.572 1.646 ( -0.363 3.660 -0.939) 3.796 1.687 ( -0.735 0.129 -4.278) 4.342 1.759 ( 1.404 9.644 2.625) 10.093 1.885 ( 4.132 0.245 -1.399) 4.369 2.137 ( -5.121 1.677 -0.748) 5.440 2.145 ( -4.058 -0.125 -2.159) 4.599 2.164 ( -2.645 -6.337 0.447) 6.881 2.202 ( -2.676 -7.338 -0.355) 7.818 2.574 ( -11.433 -0.154 0.415) 11.442 2.677 ( -8.596 -8.329 -1.295) 12.039 3.016 ( -0.207 6.604 1.049) 6.690 3.079 ( 0.441 6.140 -1.053) 6.245 3.129 ( -1.389 -2.982 -0.371) 3.311 3.224 ( 0.890 -5.880 -0.787) 5.999 3.568 ( 0.545 3.246 6.971) 7.709 3.674 ( 5.815 -5.771 3.540) 8.925 3.918 ( 9.387 4.232 -2.704) 10.646 3.999 ( 10.147 -2.546 0.516) 10.474 4.366 ( -4.253 6.199 0.715) 7.551 4.484 ( 0.687 -4.797 1.621) 5.110 4.575 ( 0.618 3.480 -0.315) 3.548 4.639 ( 3.167 -2.503 0.941) 4.145 6.229 ( -1.520 2.585 5.486) 6.252 6.280 ( -1.946 -1.968 7.037) 7.562 6.367 ( 1.504 6.286 -2.304) 6.862 6.497 ( 3.250 -6.023 -6.556) 9.477 7.215 ( -3.386 8.401 13.586) 16.329 7.300 ( -3.016 0.053 13.494) 13.827 7.574 ( 0.561 10.605 -8.118) 13.367 7.718 ( 1.782 -3.163 -14.377) 14.828 8.589 ( -4.215 -0.573 13.873) 14.511 8.658 ( -3.883 -7.223 13.132) 15.482 8.964 ( 0.568 -0.486 -14.252) 14.271 9.008 ( -0.013 -4.983 -14.404) 15.242======================= Grid point 170 (96/100) =======================q-point: ( 0.29 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 0.370 6.066 -0.990) 6.158 1.412 ( 2.154 -0.671 -2.875) 3.655 1.631 ( -0.211 4.476 -3.973) 5.989 1.675 ( 0.915 0.345 -3.245) 3.389 1.750 ( -3.008 9.110 0.097) 9.595 1.909 ( -3.833 -3.442 1.505) 5.367 2.021 ( -5.198 -0.623 -1.885) 5.564 2.059 ( -1.274 -1.165 -0.620) 1.834 2.114 ( -2.140 -3.345 2.382) 4.630 2.170 ( -1.454 -5.790 1.262) 6.102 2.336 ( -8.543 -0.376 -1.364) 8.660 2.469 ( -9.315 -11.885 -1.495) 15.174 3.008 ( -0.513 4.261 0.012) 4.292 3.078 ( -0.974 -0.634 0.262) 1.192 3.118 ( 0.382 0.987 -1.118) 1.540 3.198 ( -1.761 -5.073 -3.418) 6.365 3.705 ( 8.360 9.503 9.099) 15.588 3.876 ( 10.411 -6.383 4.211) 12.917 4.077 ( 5.848 5.535 -3.049) 8.610 4.166 ( 4.736 -2.146 1.417) 5.389 4.324 ( 0.352 10.411 2.843) 10.798 4.520 ( 2.544 -8.316 1.573) 8.838 4.573 ( -1.283 5.802 0.198) 5.946 4.681 ( 0.532 -4.504 0.081) 4.536 6.217 ( -1.510 2.713 5.194) 6.051 6.266 ( -1.540 -1.381 5.725) 6.088 6.396 ( 1.777 6.314 -0.889) 6.619 6.545 ( 3.504 -7.421 -7.243) 10.946 7.186 ( -3.790 8.426 12.305) 15.387 7.278 ( -3.380 -0.161 10.901) 11.414 7.553 ( 0.079 9.977 -5.829) 11.555 7.700 ( 1.401 -3.795 -12.966) 13.582 8.550 ( -4.314 -0.176 14.965) 15.575 8.621 ( -4.267 -6.893 14.076) 16.244 8.918 ( 0.415 -1.133 -14.693) 14.742 8.945 ( -0.666 -3.836 -14.832) 15.334======================= Grid point 171 (97/100) =======================q-point: (-0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 0.837 5.244 0.485) 5.332 1.429 ( -0.234 -2.078 -3.551) 4.121 1.611 ( -2.703 8.371 -0.088) 8.797 1.635 ( -0.548 4.694 -4.022) 6.206 1.736 ( 0.451 -3.180 -0.804) 3.311 1.789 ( -5.391 -5.979 0.232) 8.054 1.923 ( -3.384 1.436 4.011) 5.441 1.998 ( -2.313 -4.776 1.979) 5.663 2.117 ( -1.250 -1.097 3.925) 4.263 2.152 ( 0.339 -3.258 -1.005) 3.426 2.284 ( 1.456 -2.871 -4.125) 5.233 2.340 ( 0.053 -8.039 -7.282) 10.847 3.011 ( 0.613 1.916 0.950) 2.225 3.052 ( -1.300 -1.566 0.269) 2.053 3.115 ( -0.318 0.164 -1.318) 1.366 3.151 ( -1.332 -2.682 -3.403) 4.533 3.905 ( 6.619 10.727 8.163) 15.017 4.060 ( 3.920 -0.930 0.947) 4.139 4.138 ( 2.731 1.451 0.628) 3.156 4.203 ( -0.948 -1.206 1.461) 2.119 4.391 ( 3.154 11.067 3.580) 12.052 4.513 ( -2.845 8.227 -1.412) 8.819 4.593 ( 1.945 -8.604 2.687) 9.221 4.670 ( -0.658 -7.074 -1.619) 7.287 6.207 ( -1.229 3.339 5.384) 6.454 6.258 ( -0.964 -0.447 4.210) 4.342 6.426 ( 0.882 5.001 0.933) 5.163 6.576 ( 1.884 -8.313 -8.277) 11.881 7.155 ( -3.062 8.385 11.520) 14.573 7.247 ( -2.703 0.005 8.826) 9.231 7.542 ( 0.528 9.070 -3.536) 9.749 7.689 ( 1.871 -4.425 -11.677) 12.627 8.529 ( -2.819 -0.393 15.638) 15.895 8.590 ( -3.470 -6.172 13.991) 15.681 8.882 ( 1.131 -1.754 -15.169) 15.312 8.894 ( 1.613 -2.777 -14.984) 15.325======================= Grid point 172 (98/100) =======================q-point: (-0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -2.705 3.727 2.986) 5.489 1.375 ( -2.417 -0.233 -1.150) 2.687 1.543 ( -3.129 6.131 2.701) 7.394 1.660 ( 0.804 1.004 -1.557) 2.020 1.666 ( -1.671 0.391 3.538) 3.932 1.807 ( 3.990 -5.930 -0.582) 7.171 1.944 ( 2.868 1.809 3.730) 5.041 2.030 ( 3.637 -4.388 -4.844) 7.480 2.081 ( -1.479 -0.547 4.653) 4.913 2.181 ( 3.045 -8.230 -0.195) 8.777 2.292 ( 2.864 2.783 -6.182) 7.360 2.410 ( 7.275 -7.911 -11.024) 15.396 3.011 ( -1.367 1.548 1.173) 2.375 3.050 ( 1.351 -1.611 0.930) 2.299 3.107 ( -0.128 -0.539 -0.423) 0.697 3.126 ( 0.006 -1.983 -1.945) 2.778 3.970 ( -4.141 11.084 5.528) 13.060 4.051 ( -1.854 5.172 -1.662) 5.740 4.142 ( -5.304 -0.546 0.762) 5.387 4.200 ( 0.361 -5.307 1.818) 5.621 4.395 ( -3.061 10.167 2.964) 11.023 4.512 ( 3.098 9.305 -1.457) 9.915 4.594 ( -2.054 -8.837 2.311) 9.362 4.673 ( 1.139 -6.860 -1.738) 7.168 6.208 ( -0.565 3.950 5.876) 7.103 6.260 ( -0.091 0.281 3.269) 3.283 6.431 ( -1.051 3.168 2.237) 4.018 6.560 ( -0.339 -7.980 -8.718) 11.824 7.150 ( -1.444 8.390 11.905) 14.636 7.239 ( -1.173 0.224 9.252) 9.329 7.547 ( 1.131 8.960 -3.656) 9.743 7.694 ( 2.652 -4.589 -11.773) 12.911 8.552 ( -0.475 -2.027 15.401) 15.541 8.582 ( -2.117 -4.867 13.662) 14.657 8.868 ( 3.098 -0.651 -15.569) 15.888 8.901 ( 4.037 -3.735 -14.757) 15.749======================= Grid point 173 (99/100) =======================q-point: (-0.29 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -1.238 4.850 3.221) 5.952 1.339 ( -1.525 0.972 1.649) 2.448 1.525 ( 0.306 5.017 4.613) 6.823 1.615 ( -1.928 -4.365 4.284) 6.413 1.749 ( 5.058 7.736 0.149) 9.244 1.875 ( -0.067 -0.250 2.761) 2.773 1.988 ( 2.390 -2.416 2.145) 4.018 2.064 ( 0.300 -6.051 -3.108) 6.809 2.132 ( 5.382 2.849 -0.727) 6.132 2.245 ( 2.376 -4.751 -4.815) 7.170 2.428 ( 12.257 -1.157 -6.108) 13.743 2.539 ( 9.076 -8.928 -8.814) 15.484 3.001 ( 0.490 3.567 1.115) 3.769 3.088 ( 1.112 -1.631 0.071) 1.975 3.103 ( 0.308 -1.750 0.757) 1.931 3.137 ( 1.124 -2.268 0.702) 2.627 3.831 ( -8.876 10.206 0.248) 13.528 3.943 ( -7.752 1.114 -2.398) 8.190 3.999 ( -8.584 3.611 2.437) 9.626 4.144 ( -6.660 -7.886 3.476) 10.892 4.365 ( -0.011 9.698 -0.824) 9.733 4.534 ( -1.658 -1.604 0.565) 2.375 4.582 ( 0.950 0.552 -1.018) 1.497 4.679 ( -0.482 -4.290 0.299) 4.328 6.222 ( -0.310 4.120 6.125) 7.388 6.276 ( 0.401 0.347 3.226) 3.269 6.402 ( -2.311 2.348 2.228) 3.977 6.512 ( -0.986 -6.887 -8.150) 10.716 7.177 ( -0.597 8.476 13.010) 15.539 7.261 ( -0.548 0.437 11.500) 11.521 7.559 ( 1.651 9.685 -5.529) 11.274 7.709 ( 3.050 -4.306 -12.947) 13.981 8.598 ( -1.273 -3.161 13.352) 13.780 8.611 ( 0.671 -4.633 13.972) 14.736 8.898 ( 5.018 0.016 -15.176) 15.984 8.948 ( 5.451 -4.697 -14.771) 16.431======================= Grid point 174 (100/100) =======================q-point: (-0.14 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( -0.276 4.231 4.023) 5.845 1.329 ( 0.328 2.052 0.660) 2.180 1.578 ( 2.730 3.612 4.551) 6.419 1.619 ( 0.996 -2.014 3.180) 3.894 1.827 ( -0.221 7.069 -3.071) 7.710 1.833 ( -1.698 5.500 3.143) 6.559 2.062 ( 2.191 -2.631 2.358) 4.157 2.102 ( 5.489 -7.257 2.094) 9.337 2.209 ( 2.234 0.698 -3.688) 4.368 2.273 ( 2.236 -4.335 -5.494) 7.347 2.642 ( 9.088 -0.114 -5.453) 10.599 2.714 ( 8.110 -6.154 -3.820) 10.874 3.039 ( 2.129 4.390 0.250) 4.886 3.064 ( -1.529 4.423 -0.789) 4.746 3.135 ( 1.516 -3.937 -0.780) 4.290 3.184 ( 2.273 -6.373 2.552) 7.232 3.655 ( -6.929 8.481 1.015) 10.999 3.766 ( -6.689 -1.939 -4.204) 8.135 3.836 ( -7.046 3.774 2.477) 8.368 3.969 ( -10.712 -8.410 3.495) 14.060 4.385 ( 2.216 6.572 -0.881) 6.991 4.507 ( -0.475 -4.661 0.016) 4.685 4.569 ( -2.073 4.599 -0.354) 5.057 4.651 ( -2.308 -2.893 -0.056) 3.701 6.235 ( -0.664 3.745 6.130) 7.215 6.294 ( -0.286 -0.702 4.825) 4.884 6.365 ( -1.429 3.487 0.257) 3.777 6.473 ( 0.126 -5.830 -7.292) 9.337 7.209 ( -1.175 8.488 14.054) 16.460 7.290 ( -1.271 0.590 13.765) 13.836 7.574 ( 1.956 10.380 -7.496) 12.953 7.723 ( 2.946 -3.719 -14.180) 14.953 8.617 ( -1.700 -1.756 13.125) 13.351 8.664 ( -0.352 -6.512 11.994) 13.653 8.953 ( 4.966 -0.088 -14.233) 15.075 9.007 ( 5.039 -5.290 -14.706) 16.421=================== 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 3/12348 10.0 157.074 192.081 129.407 0.000 26.565 0.000 3/12348 20.0 33.474 49.330 31.708 0.000 6.430 0.000 3/12348 30.0 15.162 23.334 15.310 0.000 2.733 0.000 3/12348 40.0 9.434 14.712 9.819 0.000 1.547 0.000 3/12348 50.0 6.841 10.786 7.299 0.000 1.026 0.000 3/12348 60.0 5.393 8.596 5.912 0.000 0.743 0.000 3/12348 70.0 4.472 7.202 5.052 0.000 0.567 0.000 3/12348 80.0 3.833 6.232 4.469 0.000 0.447 0.000 3/12348 90.0 3.364 5.515 4.045 0.000 0.362 0.000 3/12348 100.0 3.004 4.958 3.718 0.000 0.299 0.000 3/12348 110.0 2.717 4.511 3.452 0.000 0.250 0.000 3/12348 120.0 2.483 4.143 3.230 0.000 0.213 0.000 3/12348 130.0 2.288 3.834 3.039 0.000 0.183 0.000 3/12348 140.0 2.123 3.569 2.872 0.000 0.159 0.000 3/12348 150.0 1.981 3.340 2.723 0.000 0.140 0.000 3/12348 160.0 1.857 3.139 2.589 0.000 0.124 0.000 3/12348 170.0 1.748 2.961 2.468 0.000 0.110 0.000 3/12348 180.0 1.652 2.803 2.357 0.000 0.099 0.000 3/12348 190.0 1.566 2.661 2.256 0.000 0.090 0.000 3/12348 200.0 1.488 2.533 2.163 0.000 0.082 0.000 3/12348 210.0 1.418 2.416 2.077 0.000 0.075 0.000 3/12348 220.0 1.355 2.310 1.997 0.000 0.069 0.000 3/12348 230.0 1.296 2.213 1.923 0.000 0.063 0.000 3/12348 240.0 1.243 2.124 1.854 0.000 0.059 0.000 3/12348 250.0 1.194 2.041 1.790 0.000 0.055 0.000 3/12348 260.0 1.149 1.965 1.730 0.000 0.051 0.000 3/12348 270.0 1.107 1.894 1.673 0.000 0.048 0.000 3/12348 280.0 1.068 1.829 1.620 0.000 0.045 0.000 3/12348 290.0 1.031 1.767 1.571 0.000 0.042 0.000 3/12348 300.0 0.997 1.710 1.524 0.000 0.040 0.000 3/12348 310.0 0.966 1.656 1.479 0.000 0.038 0.000 3/12348 320.0 0.936 1.606 1.437 0.000 0.036 0.000 3/12348 330.0 0.908 1.558 1.398 0.000 0.034 0.000 3/12348 340.0 0.881 1.513 1.360 0.000 0.033 0.000 3/12348 350.0 0.857 1.471 1.325 0.000 0.031 0.000 3/12348 360.0 0.833 1.431 1.291 0.000 0.030 0.000 3/12348 370.0 0.811 1.393 1.258 0.000 0.029 0.000 3/12348 380.0 0.790 1.357 1.228 0.000 0.028 0.000 3/12348 390.0 0.770 1.323 1.198 0.000 0.027 0.000 3/12348 400.0 0.751 1.290 1.170 0.000 0.026 0.000 3/12348 410.0 0.732 1.259 1.144 0.000 0.025 0.000 3/12348 420.0 0.715 1.230 1.118 0.000 0.024 0.000 3/12348 430.0 0.699 1.202 1.094 0.000 0.023 0.000 3/12348 440.0 0.683 1.175 1.070 0.000 0.022 0.000 3/12348 450.0 0.668 1.149 1.048 0.000 0.022 0.000 3/12348 460.0 0.654 1.125 1.026 0.000 0.021 0.000 3/12348 470.0 0.640 1.101 1.006 0.000 0.020 0.000 3/12348 480.0 0.627 1.078 0.986 0.000 0.020 0.000 3/12348 490.0 0.614 1.057 0.967 0.000 0.019 0.000 3/12348 500.0 0.602 1.036 0.948 0.000 0.019 0.000 3/12348 510.0 0.590 1.016 0.930 0.000 0.018 0.000 3/12348 520.0 0.579 0.997 0.913 0.000 0.018 0.000 3/12348 530.0 0.568 0.978 0.897 0.000 0.017 0.000 3/12348 540.0 0.557 0.960 0.881 0.000 0.017 0.000 3/12348 550.0 0.547 0.943 0.866 0.000 0.016 0.000 3/12348 560.0 0.538 0.926 0.851 0.000 0.016 0.000 3/12348 570.0 0.528 0.910 0.836 0.000 0.016 0.000 3/12348 580.0 0.519 0.895 0.823 0.000 0.015 0.000 3/12348 590.0 0.511 0.880 0.809 0.000 0.015 0.000 3/12348 600.0 0.502 0.865 0.796 0.000 0.015 0.000 3/12348 610.0 0.494 0.851 0.784 0.000 0.014 0.000 3/12348 620.0 0.486 0.837 0.771 0.000 0.014 0.000 3/12348 630.0 0.478 0.824 0.759 0.000 0.014 0.000 3/12348 640.0 0.471 0.812 0.748 0.000 0.013 0.000 3/12348 650.0 0.464 0.799 0.737 0.000 0.013 0.000 3/12348 660.0 0.457 0.787 0.726 0.000 0.013 0.000 3/12348 670.0 0.450 0.776 0.716 0.000 0.013 0.000 3/12348 680.0 0.443 0.764 0.705 0.000 0.012 0.000 3/12348 690.0 0.437 0.753 0.695 0.000 0.012 0.000 3/12348 700.0 0.431 0.743 0.686 0.000 0.012 0.000 3/12348 710.0 0.425 0.732 0.676 0.000 0.012 0.000 3/12348 720.0 0.419 0.722 0.667 0.000 0.012 0.000 3/12348 730.0 0.413 0.712 0.658 0.000 0.011 0.000 3/12348 740.0 0.408 0.703 0.650 0.000 0.011 0.000 3/12348 750.0 0.402 0.694 0.641 0.000 0.011 0.000 3/12348 760.0 0.397 0.684 0.633 0.000 0.011 0.000 3/12348 770.0 0.392 0.676 0.625 0.000 0.011 0.000 3/12348 780.0 0.387 0.667 0.617 0.000 0.010 0.000 3/12348 790.0 0.382 0.659 0.610 0.000 0.010 0.000 3/12348 800.0 0.377 0.650 0.602 0.000 0.010 0.000 3/12348 810.0 0.373 0.643 0.595 0.000 0.010 0.000 3/12348 820.0 0.368 0.635 0.588 0.000 0.010 0.000 3/12348 830.0 0.364 0.627 0.581 0.000 0.010 0.000 3/12348 840.0 0.359 0.620 0.574 0.000 0.010 0.000 3/12348 850.0 0.355 0.612 0.567 0.000 0.009 0.000 3/12348 860.0 0.351 0.605 0.561 0.000 0.009 0.000 3/12348 870.0 0.347 0.598 0.555 0.000 0.009 0.000 3/12348 880.0 0.343 0.592 0.548 0.000 0.009 0.000 3/12348 890.0 0.339 0.585 0.542 0.000 0.009 0.000 3/12348 900.0 0.335 0.579 0.537 0.000 0.009 0.000 3/12348 910.0 0.332 0.572 0.531 0.000 0.009 0.000 3/12348 920.0 0.328 0.566 0.525 0.000 0.009 0.000 3/12348 930.0 0.325 0.560 0.520 0.000 0.008 0.000 3/12348 940.0 0.321 0.554 0.514 0.000 0.008 0.000 3/12348 950.0 0.318 0.548 0.509 0.000 0.008 0.000 3/12348 960.0 0.315 0.543 0.504 0.000 0.008 0.000 3/12348 970.0 0.311 0.537 0.499 0.000 0.008 0.000 3/12348 980.0 0.308 0.532 0.494 0.000 0.008 0.000 3/12348 990.0 0.305 0.526 0.489 0.000 0.008 0.000 3/12348 1000.0 0.302 0.521 0.484 0.000 0.008 0.000 3/12348Thermal conductivity related properties were written into "kappa-m777.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:05:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | 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