----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:23:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.367341273681336 0.000000000000000 0.000000000000000 b -3.183670636840668 5.514279297573201 0.000000000000000 c 0.000000000000000 0.000000000000000 5.460848790000000 Atomic positions (fractional): *1 Li 0.31314914724599 0.36311845054098 0.40840993931870 6.941 2 Li 0.04996930329499 0.68685085275401 0.40840993931870 6.941 3 Li 0.63688154945902 0.95003069670501 0.40840993931870 6.941 4 Li 0.36311845054098 0.04996930329499 0.59159006068130 6.941 5 Li 0.68685085275401 0.63688154945902 0.59159006068130 6.941 6 Li 0.95003069670501 0.31314914724599 0.59159006068130 6.941 *7 N 0.66978617308328 0.01086271984378 0.77332386554529 14.007 8 N 0.98913728015622 0.65892345323950 0.77332386554529 14.007 9 N 0.34107654676050 0.33021382691672 0.77332386554529 14.007 10 N 0.33021382691672 0.98913728015622 0.22667613445471 14.007 11 N 0.65892345323950 0.66978617308328 0.22667613445471 14.007 12 N 0.01086271984378 0.34107654676050 0.22667613445471 14.007 *13 Th 0.66666666666667 0.33333333333333 0.02574894704434 232.038 14 Th 0.33333333333333 0.66666666666667 0.97425105295566 232.038 *15 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.367341273681336 0.000000000000000 0.000000000000000 b -3.183670636840668 5.514279297573201 0.000000000000000 c 0.000000000000000 0.000000000000000 5.460848790000000 Atomic positions (fractional): *1 Li 0.31314914724599 0.36311845054098 0.40840993931870 6.941 > 1 2 Li 0.04996930329499 0.68685085275401 0.40840993931870 6.941 > 2 3 Li 0.63688154945902 0.95003069670501 0.40840993931870 6.941 > 3 4 Li 0.36311845054098 0.04996930329499 0.59159006068130 6.941 > 4 5 Li 0.68685085275401 0.63688154945902 0.59159006068130 6.941 > 5 6 Li 0.95003069670501 0.31314914724599 0.59159006068130 6.941 > 6 *7 N 0.66978617308328 0.01086271984378 0.77332386554529 14.007 > 7 8 N 0.98913728015622 0.65892345323950 0.77332386554529 14.007 > 8 9 N 0.34107654676050 0.33021382691672 0.77332386554529 14.007 > 9 10 N 0.33021382691672 0.98913728015622 0.22667613445471 14.007 > 10 11 N 0.65892345323950 0.66978617308328 0.22667613445471 14.007 > 11 12 N 0.01086271984378 0.34107654676050 0.22667613445471 14.007 > 12 *13 Th 0.66666666666667 0.33333333333333 0.02574894704434 232.038 > 13 14 Th 0.33333333333333 0.66666666666667 0.97425105295566 232.038 > 14 *15 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 15 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.734682547362672 0.000000000000000 0.000000000000000 b -6.367341273681336 11.028558595146402 0.000000000000000 c 0.000000000000000 0.000000000000000 10.921697580000000 Atomic positions (fractional): *1 Li 0.15657457362300 0.18155922527049 0.20420496965935 6.941 > 1 2 Li 0.65657457362300 0.18155922527049 0.20420496965935 6.941 > 1 3 Li 0.15657457362300 0.68155922527049 0.20420496965935 6.941 > 1 4 Li 0.65657457362300 0.68155922527049 0.20420496965935 6.941 > 1 5 Li 0.15657457362300 0.18155922527049 0.70420496965935 6.941 > 1 6 Li 0.65657457362300 0.18155922527049 0.70420496965935 6.941 > 1 7 Li 0.15657457362300 0.68155922527049 0.70420496965935 6.941 > 1 8 Li 0.65657457362300 0.68155922527049 0.70420496965935 6.941 > 1 9 Li 0.02498465164750 0.34342542637700 0.20420496965935 6.941 > 2 10 Li 0.52498465164750 0.34342542637700 0.20420496965935 6.941 > 2 11 Li 0.02498465164750 0.84342542637700 0.20420496965935 6.941 > 2 12 Li 0.52498465164750 0.84342542637700 0.20420496965935 6.941 > 2 13 Li 0.02498465164750 0.34342542637700 0.70420496965935 6.941 > 2 14 Li 0.52498465164750 0.34342542637700 0.70420496965935 6.941 > 2 15 Li 0.02498465164750 0.84342542637700 0.70420496965935 6.941 > 2 16 Li 0.52498465164750 0.84342542637700 0.70420496965935 6.941 > 2 17 Li 0.31844077472951 0.47501534835250 0.20420496965935 6.941 > 3 18 Li 0.81844077472951 0.47501534835250 0.20420496965935 6.941 > 3 19 Li 0.31844077472951 0.97501534835250 0.20420496965935 6.941 > 3 20 Li 0.81844077472951 0.97501534835250 0.20420496965935 6.941 > 3 21 Li 0.31844077472951 0.47501534835250 0.70420496965935 6.941 > 3 22 Li 0.81844077472951 0.47501534835250 0.70420496965935 6.941 > 3 23 Li 0.31844077472951 0.97501534835250 0.70420496965935 6.941 > 3 24 Li 0.81844077472951 0.97501534835250 0.70420496965935 6.941 > 3 25 Li 0.18155922527049 0.02498465164750 0.29579503034065 6.941 > 4 26 Li 0.68155922527049 0.02498465164750 0.29579503034065 6.941 > 4 27 Li 0.18155922527049 0.52498465164750 0.29579503034065 6.941 > 4 28 Li 0.68155922527049 0.52498465164750 0.29579503034065 6.941 > 4 29 Li 0.18155922527049 0.02498465164750 0.79579503034065 6.941 > 4 30 Li 0.68155922527049 0.02498465164750 0.79579503034065 6.941 > 4 31 Li 0.18155922527049 0.52498465164750 0.79579503034065 6.941 > 4 32 Li 0.68155922527049 0.52498465164750 0.79579503034065 6.941 > 4 33 Li 0.34342542637700 0.31844077472951 0.29579503034065 6.941 > 5 34 Li 0.84342542637700 0.31844077472951 0.29579503034065 6.941 > 5 35 Li 0.34342542637700 0.81844077472951 0.29579503034065 6.941 > 5 36 Li 0.84342542637700 0.81844077472951 0.29579503034065 6.941 > 5 37 Li 0.34342542637700 0.31844077472951 0.79579503034065 6.941 > 5 38 Li 0.84342542637700 0.31844077472951 0.79579503034065 6.941 > 5 39 Li 0.34342542637700 0.81844077472951 0.79579503034065 6.941 > 5 40 Li 0.84342542637700 0.81844077472951 0.79579503034065 6.941 > 5 41 Li 0.47501534835250 0.15657457362300 0.29579503034065 6.941 > 6 42 Li 0.97501534835250 0.15657457362300 0.29579503034065 6.941 > 6 43 Li 0.47501534835250 0.65657457362300 0.29579503034065 6.941 > 6 44 Li 0.97501534835250 0.65657457362300 0.29579503034065 6.941 > 6 45 Li 0.47501534835250 0.15657457362300 0.79579503034065 6.941 > 6 46 Li 0.97501534835250 0.15657457362300 0.79579503034065 6.941 > 6 47 Li 0.47501534835250 0.65657457362300 0.79579503034065 6.941 > 6 48 Li 0.97501534835250 0.65657457362300 0.79579503034065 6.941 > 6 *49 N 0.33489308654164 0.00543135992189 0.38666193277264 14.007 > 7 50 N 0.83489308654164 0.00543135992189 0.38666193277264 14.007 > 7 51 N 0.33489308654164 0.50543135992189 0.38666193277264 14.007 > 7 52 N 0.83489308654164 0.50543135992189 0.38666193277264 14.007 > 7 53 N 0.33489308654164 0.00543135992189 0.88666193277264 14.007 > 7 54 N 0.83489308654164 0.00543135992189 0.88666193277264 14.007 > 7 55 N 0.33489308654164 0.50543135992189 0.88666193277264 14.007 > 7 56 N 0.83489308654164 0.50543135992189 0.88666193277264 14.007 > 7 57 N 0.49456864007811 0.32946172661975 0.38666193277264 14.007 > 8 58 N 0.99456864007811 0.32946172661975 0.38666193277264 14.007 > 8 59 N 0.49456864007811 0.82946172661975 0.38666193277264 14.007 > 8 60 N 0.99456864007811 0.82946172661975 0.38666193277264 14.007 > 8 61 N 0.49456864007811 0.32946172661975 0.88666193277264 14.007 > 8 62 N 0.99456864007811 0.32946172661975 0.88666193277264 14.007 > 8 63 N 0.49456864007811 0.82946172661975 0.88666193277264 14.007 > 8 64 N 0.99456864007811 0.82946172661975 0.88666193277264 14.007 > 8 65 N 0.17053827338025 0.16510691345836 0.38666193277264 14.007 > 9 66 N 0.67053827338025 0.16510691345836 0.38666193277264 14.007 > 9 67 N 0.17053827338025 0.66510691345836 0.38666193277264 14.007 > 9 68 N 0.67053827338025 0.66510691345836 0.38666193277264 14.007 > 9 69 N 0.17053827338025 0.16510691345836 0.88666193277264 14.007 > 9 70 N 0.67053827338025 0.16510691345836 0.88666193277264 14.007 > 9 71 N 0.17053827338025 0.66510691345836 0.88666193277264 14.007 > 9 72 N 0.67053827338025 0.66510691345836 0.88666193277264 14.007 > 9 73 N 0.16510691345836 0.49456864007811 0.11333806722736 14.007 > 10 74 N 0.66510691345836 0.49456864007811 0.11333806722736 14.007 > 10 75 N 0.16510691345836 0.99456864007811 0.11333806722736 14.007 > 10 76 N 0.66510691345836 0.99456864007811 0.11333806722736 14.007 > 10 77 N 0.16510691345836 0.49456864007811 0.61333806722736 14.007 > 10 78 N 0.66510691345836 0.49456864007811 0.61333806722736 14.007 > 10 79 N 0.16510691345836 0.99456864007811 0.61333806722736 14.007 > 10 80 N 0.66510691345836 0.99456864007811 0.61333806722736 14.007 > 10 81 N 0.32946172661975 0.33489308654164 0.11333806722736 14.007 > 11 82 N 0.82946172661975 0.33489308654164 0.11333806722736 14.007 > 11 83 N 0.32946172661975 0.83489308654164 0.11333806722736 14.007 > 11 84 N 0.82946172661975 0.83489308654164 0.11333806722736 14.007 > 11 85 N 0.32946172661975 0.33489308654164 0.61333806722736 14.007 > 11 86 N 0.82946172661975 0.33489308654164 0.61333806722736 14.007 > 11 87 N 0.32946172661975 0.83489308654164 0.61333806722736 14.007 > 11 88 N 0.82946172661975 0.83489308654164 0.61333806722736 14.007 > 11 89 N 0.00543135992189 0.17053827338025 0.11333806722736 14.007 > 12 90 N 0.50543135992189 0.17053827338025 0.11333806722736 14.007 > 12 91 N 0.00543135992189 0.67053827338025 0.11333806722736 14.007 > 12 92 N 0.50543135992189 0.67053827338025 0.11333806722736 14.007 > 12 93 N 0.00543135992189 0.17053827338025 0.61333806722736 14.007 > 12 94 N 0.50543135992189 0.17053827338025 0.61333806722736 14.007 > 12 95 N 0.00543135992189 0.67053827338025 0.61333806722736 14.007 > 12 96 N 0.50543135992189 0.67053827338025 0.61333806722736 14.007 > 12 *97 Th 0.33333333333333 0.16666666666667 0.01287447352217 232.038 > 13 98 Th 0.83333333333333 0.16666666666667 0.01287447352217 232.038 > 13 99 Th 0.33333333333333 0.66666666666667 0.01287447352217 232.038 > 13 100 Th 0.83333333333333 0.66666666666667 0.01287447352217 232.038 > 13 101 Th 0.33333333333333 0.16666666666667 0.51287447352217 232.038 > 13 102 Th 0.83333333333333 0.16666666666667 0.51287447352217 232.038 > 13 103 Th 0.33333333333333 0.66666666666667 0.51287447352217 232.038 > 13 104 Th 0.83333333333333 0.66666666666667 0.51287447352217 232.038 > 13 105 Th 0.16666666666667 0.33333333333333 0.48712552647783 232.038 > 14 106 Th 0.66666666666667 0.33333333333333 0.48712552647783 232.038 > 14 107 Th 0.16666666666667 0.83333333333333 0.48712552647783 232.038 > 14 108 Th 0.66666666666667 0.83333333333333 0.48712552647783 232.038 > 14 109 Th 0.16666666666667 0.33333333333333 0.98712552647783 232.038 > 14 110 Th 0.66666666666667 0.33333333333333 0.98712552647783 232.038 > 14 111 Th 0.16666666666667 0.83333333333333 0.98712552647783 232.038 > 14 112 Th 0.66666666666667 0.83333333333333 0.98712552647783 232.038 > 14 *113 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 15 114 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 15 115 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 15 116 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 15 117 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 15 118 Th 0.50000000000000 0.00000000000000 0.50000000000000 232.038 > 15 119 Th 0.00000000000000 0.50000000000000 0.50000000000000 232.038 > 15 120 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 15 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7537267 -0.0000029 0.0000000 0.0000029 7.7537267 0.0000000 0.0000000 0.0000000 5.7333525 -------------------------- Born effective charges -------------------------- 1 Li 0.6882912 -0.0247226 -0.0575289 -0.0283308 0.7315763 0.0249486 0.0175010 -0.0103971 1.1368995 2 Li 0.7437278 -0.0036755 0.0503706 -0.0072838 0.6761397 0.0373471 -0.0177547 -0.0099578 1.1368995 3 Li 0.6977822 0.0338105 0.0071583 0.0302022 0.7220853 -0.0622958 0.0002536 0.0203549 1.1368995 4 Li 0.6977822 0.0338105 0.0071583 0.0302022 0.7220853 -0.0622958 0.0002536 0.0203549 1.1368995 5 Li 0.6882912 -0.0247226 -0.0575289 -0.0283308 0.7315763 0.0249486 0.0175010 -0.0103971 1.1368995 6 Li 0.7437278 -0.0036755 0.0503706 -0.0072838 0.6761397 0.0373471 -0.0177547 -0.0099578 1.1368995 7 N -3.6412522 -0.0255865 -0.0353209 -0.0216463 -3.6866874 -0.0617353 -0.0094975 -0.0347611 -2.7408539 8 N -3.6957810 -0.0098359 0.0711248 -0.0058957 -3.6321586 0.0002788 0.0348527 0.0091555 -2.7408539 9 N -3.6548761 0.0295121 -0.0358038 0.0334523 -3.6730634 0.0614564 -0.0253552 0.0256056 -2.7408539 10 N -3.6412522 -0.0255865 -0.0353209 -0.0216463 -3.6866874 -0.0617353 -0.0094975 -0.0347611 -2.7408539 11 N -3.6548761 0.0295121 -0.0358038 0.0334523 -3.6730634 0.0614564 -0.0253552 0.0256056 -2.7408539 12 N -3.6957810 -0.0098359 0.0711248 -0.0058957 -3.6321586 0.0002788 0.0348527 0.0091555 -2.7408539 13 Th 5.8949992 0.0423275 0.0000000 -0.0423275 5.8949992 0.0000000 -0.0000000 0.0000000 3.2156034 14 Th 5.8949992 0.0423275 0.0000000 -0.0423275 5.8949992 0.0000000 -0.0000000 0.0000000 3.2156034 15 Th 5.9342179 -0.0836591 0.0000000 0.0836591 5.9342179 0.0000000 -0.0000000 0.0000000 3.1925196 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 8550/8550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1416 Number of blocks in projector: 660 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 242 eigenvectors found. (2) Block: 500 / 596 (2) 242 eigenvectors found. (2) Block: 596 / 596 (2) 92 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 588 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1416, 1393), data: False |-- (176, 172), data: True |-- (596, 588), data: False |-- (596, 588), data: False |-- (596, 12), data: (596, 20) @ (20, 12) |-- (96, 92), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 633), data: False |-- (644, 7), data: (644, 18) @ (18, 7) |-- (144, 137), data: True |-- (500, 489), data: False |-- (500, 8), data: (500, 19) @ (19, 8) |-- (250, 239), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 2.082 Solver_block: 200 / 320 - Time: 2.018 Solver_block: 300 / 320 - Time: 2.009 Solver_block: 320 / 320 - Time: 0.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.639 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 8550/8550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1416 Number of blocks in projector: 660 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 242 eigenvectors found. (2) Block: 500 / 596 (2) 242 eigenvectors found. (2) Block: 596 / 596 (2) 92 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 588 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1416, 1393), data: False |-- (176, 172), data: True |-- (596, 588), data: False |-- (596, 588), data: False |-- (596, 12), data: (596, 20) @ (20, 12) |-- (96, 92), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 633), data: False |-- (644, 7), data: (644, 18) @ (18, 7) |-- (144, 137), data: True |-- (500, 489), data: False |-- (500, 8), data: (500, 19) @ (19, 8) |-- (250, 239), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 06:23:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:23:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.367341273681336 0.000000000000000 0.000000000000000 b -3.183670636840668 5.514279297573201 0.000000000000000 c 0.000000000000000 0.000000000000000 5.460848790000000 Atomic positions (fractional): 1 Li 0.31314914724599 0.36311845054098 0.40840993931870 6.941 2 Li 0.04996930329499 0.68685085275401 0.40840993931870 6.941 3 Li 0.63688154945902 0.95003069670501 0.40840993931870 6.941 4 Li 0.36311845054098 0.04996930329499 0.59159006068130 6.941 5 Li 0.68685085275401 0.63688154945902 0.59159006068130 6.941 6 Li 0.95003069670501 0.31314914724599 0.59159006068130 6.941 7 N 0.66978617308328 0.01086271984378 0.77332386554529 14.007 8 N 0.98913728015622 0.65892345323950 0.77332386554529 14.007 9 N 0.34107654676050 0.33021382691672 0.77332386554529 14.007 10 N 0.33021382691672 0.98913728015622 0.22667613445471 14.007 11 N 0.65892345323950 0.66978617308328 0.22667613445471 14.007 12 N 0.01086271984378 0.34107654676050 0.22667613445471 14.007 13 Th 0.66666666666667 0.33333333333333 0.02574894704434 232.038 14 Th 0.33333333333333 0.66666666666667 0.97425105295566 232.038 15 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.734682547362672 0.000000000000000 0.000000000000000 b -6.367341273681336 11.028558595146402 0.000000000000000 c 0.000000000000000 0.000000000000000 10.921697580000000 Atomic positions (fractional): 1 Li 0.15657457362300 0.18155922527049 0.20420496965935 6.941 > 1 2 Li 0.65657457362300 0.18155922527049 0.20420496965935 6.941 > 1 3 Li 0.15657457362300 0.68155922527049 0.20420496965935 6.941 > 1 4 Li 0.65657457362300 0.68155922527049 0.20420496965935 6.941 > 1 5 Li 0.15657457362300 0.18155922527049 0.70420496965935 6.941 > 1 6 Li 0.65657457362300 0.18155922527049 0.70420496965935 6.941 > 1 7 Li 0.15657457362300 0.68155922527049 0.70420496965935 6.941 > 1 8 Li 0.65657457362300 0.68155922527049 0.70420496965935 6.941 > 1 9 Li 0.02498465164750 0.34342542637700 0.20420496965935 6.941 > 9 10 Li 0.52498465164750 0.34342542637700 0.20420496965935 6.941 > 9 11 Li 0.02498465164750 0.84342542637700 0.20420496965935 6.941 > 9 12 Li 0.52498465164750 0.84342542637700 0.20420496965935 6.941 > 9 13 Li 0.02498465164750 0.34342542637700 0.70420496965935 6.941 > 9 14 Li 0.52498465164750 0.34342542637700 0.70420496965935 6.941 > 9 15 Li 0.02498465164750 0.84342542637700 0.70420496965935 6.941 > 9 16 Li 0.52498465164750 0.84342542637700 0.70420496965935 6.941 > 9 17 Li 0.31844077472951 0.47501534835250 0.20420496965935 6.941 > 17 18 Li 0.81844077472951 0.47501534835250 0.20420496965935 6.941 > 17 19 Li 0.31844077472951 0.97501534835250 0.20420496965935 6.941 > 17 20 Li 0.81844077472951 0.97501534835250 0.20420496965935 6.941 > 17 21 Li 0.31844077472951 0.47501534835250 0.70420496965935 6.941 > 17 22 Li 0.81844077472951 0.47501534835250 0.70420496965935 6.941 > 17 23 Li 0.31844077472951 0.97501534835250 0.70420496965935 6.941 > 17 24 Li 0.81844077472951 0.97501534835250 0.70420496965935 6.941 > 17 25 Li 0.18155922527049 0.02498465164750 0.29579503034065 6.941 > 25 26 Li 0.68155922527049 0.02498465164750 0.29579503034065 6.941 > 25 27 Li 0.18155922527049 0.52498465164750 0.29579503034065 6.941 > 25 28 Li 0.68155922527049 0.52498465164750 0.29579503034065 6.941 > 25 29 Li 0.18155922527049 0.02498465164750 0.79579503034065 6.941 > 25 30 Li 0.68155922527049 0.02498465164750 0.79579503034065 6.941 > 25 31 Li 0.18155922527049 0.52498465164750 0.79579503034065 6.941 > 25 32 Li 0.68155922527049 0.52498465164750 0.79579503034065 6.941 > 25 33 Li 0.34342542637700 0.31844077472951 0.29579503034065 6.941 > 33 34 Li 0.84342542637700 0.31844077472951 0.29579503034065 6.941 > 33 35 Li 0.34342542637700 0.81844077472951 0.29579503034065 6.941 > 33 36 Li 0.84342542637700 0.81844077472951 0.29579503034065 6.941 > 33 37 Li 0.34342542637700 0.31844077472951 0.79579503034065 6.941 > 33 38 Li 0.84342542637700 0.31844077472951 0.79579503034065 6.941 > 33 39 Li 0.34342542637700 0.81844077472951 0.79579503034065 6.941 > 33 40 Li 0.84342542637700 0.81844077472951 0.79579503034065 6.941 > 33 41 Li 0.47501534835250 0.15657457362300 0.29579503034065 6.941 > 41 42 Li 0.97501534835250 0.15657457362300 0.29579503034065 6.941 > 41 43 Li 0.47501534835250 0.65657457362300 0.29579503034065 6.941 > 41 44 Li 0.97501534835250 0.65657457362300 0.29579503034065 6.941 > 41 45 Li 0.47501534835250 0.15657457362300 0.79579503034065 6.941 > 41 46 Li 0.97501534835250 0.15657457362300 0.79579503034065 6.941 > 41 47 Li 0.47501534835250 0.65657457362300 0.79579503034065 6.941 > 41 48 Li 0.97501534835250 0.65657457362300 0.79579503034065 6.941 > 41 49 N 0.33489308654164 0.00543135992189 0.38666193277264 14.007 > 49 50 N 0.83489308654164 0.00543135992189 0.38666193277264 14.007 > 49 51 N 0.33489308654164 0.50543135992189 0.38666193277264 14.007 > 49 52 N 0.83489308654164 0.50543135992189 0.38666193277264 14.007 > 49 53 N 0.33489308654164 0.00543135992189 0.88666193277264 14.007 > 49 54 N 0.83489308654164 0.00543135992189 0.88666193277264 14.007 > 49 55 N 0.33489308654164 0.50543135992189 0.88666193277264 14.007 > 49 56 N 0.83489308654164 0.50543135992189 0.88666193277264 14.007 > 49 57 N 0.49456864007811 0.32946172661975 0.38666193277264 14.007 > 57 58 N 0.99456864007811 0.32946172661975 0.38666193277264 14.007 > 57 59 N 0.49456864007811 0.82946172661975 0.38666193277264 14.007 > 57 60 N 0.99456864007811 0.82946172661975 0.38666193277264 14.007 > 57 61 N 0.49456864007811 0.32946172661975 0.88666193277264 14.007 > 57 62 N 0.99456864007811 0.32946172661975 0.88666193277264 14.007 > 57 63 N 0.49456864007811 0.82946172661975 0.88666193277264 14.007 > 57 64 N 0.99456864007811 0.82946172661975 0.88666193277264 14.007 > 57 65 N 0.17053827338025 0.16510691345836 0.38666193277264 14.007 > 65 66 N 0.67053827338025 0.16510691345836 0.38666193277264 14.007 > 65 67 N 0.17053827338025 0.66510691345836 0.38666193277264 14.007 > 65 68 N 0.67053827338025 0.66510691345836 0.38666193277264 14.007 > 65 69 N 0.17053827338025 0.16510691345836 0.88666193277264 14.007 > 65 70 N 0.67053827338025 0.16510691345836 0.88666193277264 14.007 > 65 71 N 0.17053827338025 0.66510691345836 0.88666193277264 14.007 > 65 72 N 0.67053827338025 0.66510691345836 0.88666193277264 14.007 > 65 73 N 0.16510691345836 0.49456864007811 0.11333806722736 14.007 > 73 74 N 0.66510691345836 0.49456864007811 0.11333806722736 14.007 > 73 75 N 0.16510691345836 0.99456864007811 0.11333806722736 14.007 > 73 76 N 0.66510691345836 0.99456864007811 0.11333806722736 14.007 > 73 77 N 0.16510691345836 0.49456864007811 0.61333806722736 14.007 > 73 78 N 0.66510691345836 0.49456864007811 0.61333806722736 14.007 > 73 79 N 0.16510691345836 0.99456864007811 0.61333806722736 14.007 > 73 80 N 0.66510691345836 0.99456864007811 0.61333806722736 14.007 > 73 81 N 0.32946172661975 0.33489308654164 0.11333806722736 14.007 > 81 82 N 0.82946172661975 0.33489308654164 0.11333806722736 14.007 > 81 83 N 0.32946172661975 0.83489308654164 0.11333806722736 14.007 > 81 84 N 0.82946172661975 0.83489308654164 0.11333806722736 14.007 > 81 85 N 0.32946172661975 0.33489308654164 0.61333806722736 14.007 > 81 86 N 0.82946172661975 0.33489308654164 0.61333806722736 14.007 > 81 87 N 0.32946172661975 0.83489308654164 0.61333806722736 14.007 > 81 88 N 0.82946172661975 0.83489308654164 0.61333806722736 14.007 > 81 89 N 0.00543135992189 0.17053827338025 0.11333806722736 14.007 > 89 90 N 0.50543135992189 0.17053827338025 0.11333806722736 14.007 > 89 91 N 0.00543135992189 0.67053827338025 0.11333806722736 14.007 > 89 92 N 0.50543135992189 0.67053827338025 0.11333806722736 14.007 > 89 93 N 0.00543135992189 0.17053827338025 0.61333806722736 14.007 > 89 94 N 0.50543135992189 0.17053827338025 0.61333806722736 14.007 > 89 95 N 0.00543135992189 0.67053827338025 0.61333806722736 14.007 > 89 96 N 0.50543135992189 0.67053827338025 0.61333806722736 14.007 > 89 97 Th 0.33333333333333 0.16666666666667 0.01287447352217 232.038 > 97 98 Th 0.83333333333333 0.16666666666667 0.01287447352217 232.038 > 97 99 Th 0.33333333333333 0.66666666666667 0.01287447352217 232.038 > 97 100 Th 0.83333333333333 0.66666666666667 0.01287447352217 232.038 > 97 101 Th 0.33333333333333 0.16666666666667 0.51287447352217 232.038 > 97 102 Th 0.83333333333333 0.16666666666667 0.51287447352217 232.038 > 97 103 Th 0.33333333333333 0.66666666666667 0.51287447352217 232.038 > 97 104 Th 0.83333333333333 0.66666666666667 0.51287447352217 232.038 > 97 105 Th 0.16666666666667 0.33333333333333 0.48712552647783 232.038 > 105 106 Th 0.66666666666667 0.33333333333333 0.48712552647783 232.038 > 105 107 Th 0.16666666666667 0.83333333333333 0.48712552647783 232.038 > 105 108 Th 0.66666666666667 0.83333333333333 0.48712552647783 232.038 > 105 109 Th 0.16666666666667 0.33333333333333 0.98712552647783 232.038 > 105 110 Th 0.66666666666667 0.33333333333333 0.98712552647783 232.038 > 105 111 Th 0.16666666666667 0.83333333333333 0.98712552647783 232.038 > 105 112 Th 0.66666666666667 0.83333333333333 0.98712552647783 232.038 > 105 113 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 113 114 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 113 115 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 113 116 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 113 117 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 113 118 Th 0.50000000000000 0.00000000000000 0.50000000000000 232.038 > 113 119 Th 0.00000000000000 0.50000000000000 0.50000000000000 232.038 > 113 120 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7537267 -0.0000029 0.0000000 0.0000029 7.7537267 0.0000000 0.0000000 0.0000000 5.7333525 -------------------------- Born effective charges -------------------------- 1 Li 0.6882912 -0.0247226 -0.0575289 -0.0283308 0.7315763 0.0249486 0.0175010 -0.0103971 1.1368995 2 Li 0.7437278 -0.0036755 0.0503706 -0.0072838 0.6761397 0.0373471 -0.0177547 -0.0099578 1.1368995 3 Li 0.6977822 0.0338105 0.0071583 0.0302022 0.7220853 -0.0622958 0.0002536 0.0203549 1.1368995 4 Li 0.6977822 0.0338105 0.0071583 0.0302022 0.7220853 -0.0622958 0.0002536 0.0203549 1.1368995 5 Li 0.6882912 -0.0247226 -0.0575289 -0.0283308 0.7315763 0.0249486 0.0175010 -0.0103971 1.1368995 6 Li 0.7437278 -0.0036755 0.0503706 -0.0072838 0.6761397 0.0373471 -0.0177547 -0.0099578 1.1368995 7 N -3.6412522 -0.0255865 -0.0353209 -0.0216463 -3.6866874 -0.0617353 -0.0094975 -0.0347611 -2.7408539 8 N -3.6957810 -0.0098359 0.0711248 -0.0058957 -3.6321586 0.0002788 0.0348527 0.0091555 -2.7408539 9 N -3.6548761 0.0295121 -0.0358038 0.0334523 -3.6730634 0.0614564 -0.0253552 0.0256056 -2.7408539 10 N -3.6412522 -0.0255865 -0.0353209 -0.0216463 -3.6866874 -0.0617353 -0.0094975 -0.0347611 -2.7408539 11 N -3.6548761 0.0295121 -0.0358038 0.0334523 -3.6730634 0.0614564 -0.0253552 0.0256056 -2.7408539 12 N -3.6957810 -0.0098359 0.0711248 -0.0058957 -3.6321586 0.0002788 0.0348527 0.0091555 -2.7408539 13 Th 5.8949992 0.0423275 0.0000000 -0.0423275 5.8949992 0.0000000 -0.0000000 0.0000000 3.2156034 14 Th 5.8949992 0.0423275 0.0000000 -0.0423275 5.8949992 0.0000000 -0.0000000 0.0000000 3.2156034 15 Th 5.9342179 -0.0836591 0.0000000 0.0836591 5.9342179 0.0000000 -0.0000000 0.0000000 3.1925196 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000016 (yyy) -0.00000016 (yyy) -0.00000016 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000025 (xy) -0.00000025 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:23:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:23:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.367341273681336 0.000000000000000 0.000000000000000 b -3.183670636840668 5.514279297573201 0.000000000000000 c 0.000000000000000 0.000000000000000 5.460848790000000 Atomic positions (fractional): 1 Li 0.31314914724599 0.36311845054098 0.40840993931870 6.941 2 Li 0.04996930329499 0.68685085275401 0.40840993931870 6.941 3 Li 0.63688154945902 0.95003069670501 0.40840993931870 6.941 4 Li 0.36311845054098 0.04996930329499 0.59159006068130 6.941 5 Li 0.68685085275401 0.63688154945902 0.59159006068130 6.941 6 Li 0.95003069670501 0.31314914724599 0.59159006068130 6.941 7 N 0.66978617308328 0.01086271984378 0.77332386554529 14.007 8 N 0.98913728015622 0.65892345323950 0.77332386554529 14.007 9 N 0.34107654676050 0.33021382691672 0.77332386554529 14.007 10 N 0.33021382691672 0.98913728015622 0.22667613445471 14.007 11 N 0.65892345323950 0.66978617308328 0.22667613445471 14.007 12 N 0.01086271984378 0.34107654676050 0.22667613445471 14.007 13 Th 0.66666666666667 0.33333333333333 0.02574894704434 232.038 14 Th 0.33333333333333 0.66666666666667 0.97425105295566 232.038 15 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.734682547362672 0.000000000000000 0.000000000000000 b -6.367341273681336 11.028558595146402 0.000000000000000 c 0.000000000000000 0.000000000000000 10.921697580000000 Atomic positions (fractional): 1 Li 0.15657457362300 0.18155922527049 0.20420496965935 6.941 > 1 2 Li 0.65657457362300 0.18155922527049 0.20420496965935 6.941 > 1 3 Li 0.15657457362300 0.68155922527049 0.20420496965935 6.941 > 1 4 Li 0.65657457362300 0.68155922527049 0.20420496965935 6.941 > 1 5 Li 0.15657457362300 0.18155922527049 0.70420496965935 6.941 > 1 6 Li 0.65657457362300 0.18155922527049 0.70420496965935 6.941 > 1 7 Li 0.15657457362300 0.68155922527049 0.70420496965935 6.941 > 1 8 Li 0.65657457362300 0.68155922527049 0.70420496965935 6.941 > 1 9 Li 0.02498465164750 0.34342542637700 0.20420496965935 6.941 > 9 10 Li 0.52498465164750 0.34342542637700 0.20420496965935 6.941 > 9 11 Li 0.02498465164750 0.84342542637700 0.20420496965935 6.941 > 9 12 Li 0.52498465164750 0.84342542637700 0.20420496965935 6.941 > 9 13 Li 0.02498465164750 0.34342542637700 0.70420496965935 6.941 > 9 14 Li 0.52498465164750 0.34342542637700 0.70420496965935 6.941 > 9 15 Li 0.02498465164750 0.84342542637700 0.70420496965935 6.941 > 9 16 Li 0.52498465164750 0.84342542637700 0.70420496965935 6.941 > 9 17 Li 0.31844077472951 0.47501534835250 0.20420496965935 6.941 > 17 18 Li 0.81844077472951 0.47501534835250 0.20420496965935 6.941 > 17 19 Li 0.31844077472951 0.97501534835250 0.20420496965935 6.941 > 17 20 Li 0.81844077472951 0.97501534835250 0.20420496965935 6.941 > 17 21 Li 0.31844077472951 0.47501534835250 0.70420496965935 6.941 > 17 22 Li 0.81844077472951 0.47501534835250 0.70420496965935 6.941 > 17 23 Li 0.31844077472951 0.97501534835250 0.70420496965935 6.941 > 17 24 Li 0.81844077472951 0.97501534835250 0.70420496965935 6.941 > 17 25 Li 0.18155922527049 0.02498465164750 0.29579503034065 6.941 > 25 26 Li 0.68155922527049 0.02498465164750 0.29579503034065 6.941 > 25 27 Li 0.18155922527049 0.52498465164750 0.29579503034065 6.941 > 25 28 Li 0.68155922527049 0.52498465164750 0.29579503034065 6.941 > 25 29 Li 0.18155922527049 0.02498465164750 0.79579503034065 6.941 > 25 30 Li 0.68155922527049 0.02498465164750 0.79579503034065 6.941 > 25 31 Li 0.18155922527049 0.52498465164750 0.79579503034065 6.941 > 25 32 Li 0.68155922527049 0.52498465164750 0.79579503034065 6.941 > 25 33 Li 0.34342542637700 0.31844077472951 0.29579503034065 6.941 > 33 34 Li 0.84342542637700 0.31844077472951 0.29579503034065 6.941 > 33 35 Li 0.34342542637700 0.81844077472951 0.29579503034065 6.941 > 33 36 Li 0.84342542637700 0.81844077472951 0.29579503034065 6.941 > 33 37 Li 0.34342542637700 0.31844077472951 0.79579503034065 6.941 > 33 38 Li 0.84342542637700 0.31844077472951 0.79579503034065 6.941 > 33 39 Li 0.34342542637700 0.81844077472951 0.79579503034065 6.941 > 33 40 Li 0.84342542637700 0.81844077472951 0.79579503034065 6.941 > 33 41 Li 0.47501534835250 0.15657457362300 0.29579503034065 6.941 > 41 42 Li 0.97501534835250 0.15657457362300 0.29579503034065 6.941 > 41 43 Li 0.47501534835250 0.65657457362300 0.29579503034065 6.941 > 41 44 Li 0.97501534835250 0.65657457362300 0.29579503034065 6.941 > 41 45 Li 0.47501534835250 0.15657457362300 0.79579503034065 6.941 > 41 46 Li 0.97501534835250 0.15657457362300 0.79579503034065 6.941 > 41 47 Li 0.47501534835250 0.65657457362300 0.79579503034065 6.941 > 41 48 Li 0.97501534835250 0.65657457362300 0.79579503034065 6.941 > 41 49 N 0.33489308654164 0.00543135992189 0.38666193277264 14.007 > 49 50 N 0.83489308654164 0.00543135992189 0.38666193277264 14.007 > 49 51 N 0.33489308654164 0.50543135992189 0.38666193277264 14.007 > 49 52 N 0.83489308654164 0.50543135992189 0.38666193277264 14.007 > 49 53 N 0.33489308654164 0.00543135992189 0.88666193277264 14.007 > 49 54 N 0.83489308654164 0.00543135992189 0.88666193277264 14.007 > 49 55 N 0.33489308654164 0.50543135992189 0.88666193277264 14.007 > 49 56 N 0.83489308654164 0.50543135992189 0.88666193277264 14.007 > 49 57 N 0.49456864007811 0.32946172661975 0.38666193277264 14.007 > 57 58 N 0.99456864007811 0.32946172661975 0.38666193277264 14.007 > 57 59 N 0.49456864007811 0.82946172661975 0.38666193277264 14.007 > 57 60 N 0.99456864007811 0.82946172661975 0.38666193277264 14.007 > 57 61 N 0.49456864007811 0.32946172661975 0.88666193277264 14.007 > 57 62 N 0.99456864007811 0.32946172661975 0.88666193277264 14.007 > 57 63 N 0.49456864007811 0.82946172661975 0.88666193277264 14.007 > 57 64 N 0.99456864007811 0.82946172661975 0.88666193277264 14.007 > 57 65 N 0.17053827338025 0.16510691345836 0.38666193277264 14.007 > 65 66 N 0.67053827338025 0.16510691345836 0.38666193277264 14.007 > 65 67 N 0.17053827338025 0.66510691345836 0.38666193277264 14.007 > 65 68 N 0.67053827338025 0.66510691345836 0.38666193277264 14.007 > 65 69 N 0.17053827338025 0.16510691345836 0.88666193277264 14.007 > 65 70 N 0.67053827338025 0.16510691345836 0.88666193277264 14.007 > 65 71 N 0.17053827338025 0.66510691345836 0.88666193277264 14.007 > 65 72 N 0.67053827338025 0.66510691345836 0.88666193277264 14.007 > 65 73 N 0.16510691345836 0.49456864007811 0.11333806722736 14.007 > 73 74 N 0.66510691345836 0.49456864007811 0.11333806722736 14.007 > 73 75 N 0.16510691345836 0.99456864007811 0.11333806722736 14.007 > 73 76 N 0.66510691345836 0.99456864007811 0.11333806722736 14.007 > 73 77 N 0.16510691345836 0.49456864007811 0.61333806722736 14.007 > 73 78 N 0.66510691345836 0.49456864007811 0.61333806722736 14.007 > 73 79 N 0.16510691345836 0.99456864007811 0.61333806722736 14.007 > 73 80 N 0.66510691345836 0.99456864007811 0.61333806722736 14.007 > 73 81 N 0.32946172661975 0.33489308654164 0.11333806722736 14.007 > 81 82 N 0.82946172661975 0.33489308654164 0.11333806722736 14.007 > 81 83 N 0.32946172661975 0.83489308654164 0.11333806722736 14.007 > 81 84 N 0.82946172661975 0.83489308654164 0.11333806722736 14.007 > 81 85 N 0.32946172661975 0.33489308654164 0.61333806722736 14.007 > 81 86 N 0.82946172661975 0.33489308654164 0.61333806722736 14.007 > 81 87 N 0.32946172661975 0.83489308654164 0.61333806722736 14.007 > 81 88 N 0.82946172661975 0.83489308654164 0.61333806722736 14.007 > 81 89 N 0.00543135992189 0.17053827338025 0.11333806722736 14.007 > 89 90 N 0.50543135992189 0.17053827338025 0.11333806722736 14.007 > 89 91 N 0.00543135992189 0.67053827338025 0.11333806722736 14.007 > 89 92 N 0.50543135992189 0.67053827338025 0.11333806722736 14.007 > 89 93 N 0.00543135992189 0.17053827338025 0.61333806722736 14.007 > 89 94 N 0.50543135992189 0.17053827338025 0.61333806722736 14.007 > 89 95 N 0.00543135992189 0.67053827338025 0.61333806722736 14.007 > 89 96 N 0.50543135992189 0.67053827338025 0.61333806722736 14.007 > 89 97 Th 0.33333333333333 0.16666666666667 0.01287447352217 232.038 > 97 98 Th 0.83333333333333 0.16666666666667 0.01287447352217 232.038 > 97 99 Th 0.33333333333333 0.66666666666667 0.01287447352217 232.038 > 97 100 Th 0.83333333333333 0.66666666666667 0.01287447352217 232.038 > 97 101 Th 0.33333333333333 0.16666666666667 0.51287447352217 232.038 > 97 102 Th 0.83333333333333 0.16666666666667 0.51287447352217 232.038 > 97 103 Th 0.33333333333333 0.66666666666667 0.51287447352217 232.038 > 97 104 Th 0.83333333333333 0.66666666666667 0.51287447352217 232.038 > 97 105 Th 0.16666666666667 0.33333333333333 0.48712552647783 232.038 > 105 106 Th 0.66666666666667 0.33333333333333 0.48712552647783 232.038 > 105 107 Th 0.16666666666667 0.83333333333333 0.48712552647783 232.038 > 105 108 Th 0.66666666666667 0.83333333333333 0.48712552647783 232.038 > 105 109 Th 0.16666666666667 0.33333333333333 0.98712552647783 232.038 > 105 110 Th 0.66666666666667 0.33333333333333 0.98712552647783 232.038 > 105 111 Th 0.16666666666667 0.83333333333333 0.98712552647783 232.038 > 105 112 Th 0.66666666666667 0.83333333333333 0.98712552647783 232.038 > 105 113 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 113 114 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 113 115 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 113 116 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 113 117 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 113 118 Th 0.50000000000000 0.00000000000000 0.50000000000000 232.038 > 113 119 Th 0.00000000000000 0.50000000000000 0.50000000000000 232.038 > 113 120 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7537267 -0.0000029 0.0000000 0.0000029 7.7537267 0.0000000 0.0000000 0.0000000 5.7333525 -------------------------- Born effective charges -------------------------- 1 Li 0.6882912 -0.0247226 -0.0575289 -0.0283308 0.7315763 0.0249486 0.0175010 -0.0103971 1.1368995 2 Li 0.7437278 -0.0036755 0.0503706 -0.0072838 0.6761397 0.0373471 -0.0177547 -0.0099578 1.1368995 3 Li 0.6977822 0.0338105 0.0071583 0.0302022 0.7220853 -0.0622958 0.0002536 0.0203549 1.1368995 4 Li 0.6977822 0.0338105 0.0071583 0.0302022 0.7220853 -0.0622958 0.0002536 0.0203549 1.1368995 5 Li 0.6882912 -0.0247226 -0.0575289 -0.0283308 0.7315763 0.0249486 0.0175010 -0.0103971 1.1368995 6 Li 0.7437278 -0.0036755 0.0503706 -0.0072838 0.6761397 0.0373471 -0.0177547 -0.0099578 1.1368995 7 N -3.6412522 -0.0255865 -0.0353209 -0.0216463 -3.6866874 -0.0617353 -0.0094975 -0.0347611 -2.7408539 8 N -3.6957810 -0.0098359 0.0711248 -0.0058957 -3.6321586 0.0002788 0.0348527 0.0091555 -2.7408539 9 N -3.6548761 0.0295121 -0.0358038 0.0334523 -3.6730634 0.0614564 -0.0253552 0.0256056 -2.7408539 10 N -3.6412522 -0.0255865 -0.0353209 -0.0216463 -3.6866874 -0.0617353 -0.0094975 -0.0347611 -2.7408539 11 N -3.6548761 0.0295121 -0.0358038 0.0334523 -3.6730634 0.0614564 -0.0253552 0.0256056 -2.7408539 12 N -3.6957810 -0.0098359 0.0711248 -0.0058957 -3.6321586 0.0002788 0.0348527 0.0091555 -2.7408539 13 Th 5.8949992 0.0423275 0.0000000 -0.0423275 5.8949992 0.0000000 -0.0000000 0.0000000 3.2156034 14 Th 5.8949992 0.0423275 0.0000000 -0.0423275 5.8949992 0.0000000 -0.0000000 0.0000000 3.2156034 15 Th 5.9342179 -0.0836591 0.0000000 0.0836591 5.9342179 0.0000000 -0.0000000 0.0000000 3.1925196 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000016 (yyy) -0.00000016 (yyy) -0.00000016 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.72, Number of G-points: 277, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/131) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.555 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 11.054 ( 0.000 0.000 0.000) 0.000 11.054 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 12.051 ( 0.000 0.000 0.000) 0.000 12.051 ( 0.000 0.000 0.000) 0.000 12.824 ( 0.000 0.000 0.000) 0.000 13.437 ( 0.000 0.000 0.000) 0.000 13.887 ( 0.000 0.000 0.000) 0.000 13.887 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 0.000) 0.000 15.546 ( 0.000 0.000 0.000) 0.000 15.585 ( 0.000 0.000 0.000) 0.000 15.585 ( 0.000 0.000 0.000) 0.000 15.799 ( 0.000 0.000 0.000) 0.000 16.123 ( 0.000 0.000 0.000) 0.000 16.293 ( 0.000 0.000 0.000) 0.000 16.794 ( 0.000 0.000 0.000) 0.000 16.794 ( 0.000 0.000 0.000) 0.000 16.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/131) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 22.935 13.857 0.042) 26.796 0.698 ( 29.938 16.765 0.422) 34.316 0.886 ( 22.574 13.016 -0.649) 26.066 1.154 ( 48.882 28.248 -0.080) 56.457 2.249 ( 3.465 1.996 0.139) 4.001 4.297 ( -14.221 -7.371 0.468) 16.025 4.320 ( -12.627 -8.285 -0.650) 15.117 4.732 ( 3.988 4.006 -0.648) 5.690 4.769 ( 6.788 2.367 0.800) 7.233 5.683 ( 0.645 0.318 0.050) 0.721 6.142 ( -10.863 -6.249 -0.034) 12.533 6.602 ( -8.387 -4.447 -1.153) 9.563 6.698 ( 0.296 -0.125 0.149) 0.355 6.943 ( 0.115 0.378 -0.577) 0.699 7.140 ( 3.034 -0.500 0.210) 3.082 7.184 ( 3.254 3.750 0.015) 4.965 8.513 ( 0.776 0.520 1.297) 1.598 9.066 ( -5.355 -3.561 4.030) 7.590 9.112 ( -1.961 -0.539 -2.074) 2.905 9.299 ( -1.229 -0.895 0.016) 1.520 9.471 ( -4.954 -3.307 -1.553) 6.155 9.992 ( 1.453 0.793 0.859) 1.865 10.293 ( -7.992 -2.677 12.346) 14.948 10.514 ( -9.732 -7.161 -15.460) 19.621 11.049 ( -0.918 0.548 1.842) 2.130 11.087 ( 2.936 0.441 -2.329) 3.773 11.614 ( 0.734 1.087 0.888) 1.584 12.098 ( 4.732 0.866 -1.173) 4.952 12.166 ( 8.259 6.284 2.498) 10.674 12.917 ( 7.276 4.192 0.029) 8.397 13.462 ( 1.936 1.051 -0.038) 2.203 13.806 ( -0.719 -0.441 -0.843) 1.193 13.861 ( -1.491 -0.722 0.528) 1.739 14.324 ( -2.864 -1.165 1.333) 3.367 14.342 ( -1.183 -1.252 0.467) 1.785 15.371 ( -3.039 -1.772 2.355) 4.233 15.468 ( -3.112 -1.828 0.260) 3.618 15.684 ( 4.751 2.939 0.448) 5.605 15.769 ( -2.177 -1.454 -6.652) 7.149 16.067 ( -4.603 -2.658 -0.079) 5.316 16.315 ( 1.692 0.965 -0.319) 1.974 16.635 ( -5.458 -2.927 4.100) 7.427 16.804 ( 0.856 0.468 -0.598) 1.144 17.022 ( 10.450 5.568 -1.537) 11.940 17.127 ( 0.788 0.785 0.674) 1.300 ======================= Grid point 2 (3/131) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 21.230 12.841 0.353) 24.814 1.375 ( 28.486 15.716 0.738) 32.542 1.434 ( 22.700 13.551 -1.647) 26.488 2.258 ( 44.789 25.764 -0.463) 51.673 2.358 ( 6.462 3.582 0.886) 7.442 3.941 ( -16.364 -8.937 0.445) 18.651 3.981 ( -15.642 -9.702 -0.756) 18.422 4.795 ( -0.360 2.531 -0.455) 2.596 4.889 ( 5.323 0.499 0.915) 5.424 5.670 ( -1.979 -2.352 0.573) 3.127 5.849 ( -13.675 -7.097 -0.187) 15.408 6.382 ( -10.146 -3.901 -1.881) 11.032 6.649 ( -3.076 -3.953 -2.213) 5.476 6.967 ( -1.120 1.845 -0.274) 2.176 7.201 ( 5.384 -1.026 -0.125) 5.482 7.283 ( 3.914 4.566 2.220) 6.411 8.490 ( -4.157 -1.525 2.845) 5.263 8.908 ( -6.573 -5.523 5.542) 10.219 9.067 ( -3.400 0.083 0.234) 3.409 9.201 ( -3.371 -7.166 0.367) 7.928 9.423 ( 0.425 2.721 -6.531) 7.088 9.995 ( -15.370 -1.523 7.407) 17.130 10.051 ( -0.312 -1.850 -0.876) 2.071 10.286 ( -6.750 -8.794 -9.952) 14.898 11.045 ( -1.415 3.511 1.418) 4.042 11.151 ( 4.885 -1.914 -3.157) 6.124 11.637 ( -0.635 2.329 3.272) 4.066 12.224 ( 8.162 1.107 -0.585) 8.258 12.414 ( 10.443 8.496 2.113) 13.628 13.112 ( 8.364 4.705 0.349) 9.603 13.497 ( 0.960 -1.550 -1.086) 2.122 13.759 ( -4.055 1.636 0.884) 4.461 13.868 ( 2.582 -0.237 -1.266) 2.885 14.268 ( -1.339 -0.133 0.899) 1.618 14.298 ( -1.789 -1.958 1.374) 2.987 15.281 ( -4.305 -2.643 2.859) 5.804 15.410 ( -2.017 -1.313 1.095) 2.644 15.704 ( -3.461 -0.489 -5.346) 6.387 15.755 ( -0.998 -1.995 -3.312) 3.993 15.954 ( -2.199 -1.534 0.957) 2.847 16.355 ( 1.347 0.464 -2.851) 3.187 16.539 ( -3.343 -0.841 6.891) 7.705 16.828 ( 0.992 0.664 -3.453) 3.653 17.144 ( 2.456 -0.401 2.703) 3.674 17.258 ( 7.791 5.818 -1.166) 9.793 ======================= Grid point 3 (4/131) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 17.946 10.650 0.703) 20.880 1.883 ( 14.767 9.015 -2.093) 17.427 2.011 ( 25.825 15.035 0.186) 29.883 2.482 ( 5.810 2.500 1.977) 6.627 3.259 ( 38.704 21.976 -0.809) 44.515 3.579 ( -15.009 -9.661 -1.247) 17.893 3.589 ( -16.113 -8.181 0.766) 18.087 4.766 ( -4.940 -0.232 0.402) 4.962 4.965 ( 3.305 -0.416 0.372) 3.352 5.517 ( -8.268 -9.923 0.167) 12.917 5.594 ( -9.005 -1.639 0.897) 9.197 6.213 ( -6.809 0.526 -2.383) 7.233 6.530 ( -3.919 -6.886 -3.576) 8.692 6.907 ( -5.920 1.102 0.627) 6.054 7.282 ( 3.936 -1.838 1.882) 4.735 7.459 ( 10.119 7.163 0.617) 12.413 8.329 ( -9.831 -4.663 3.830) 11.535 8.746 ( -6.350 -3.890 3.531) 8.242 8.978 ( -4.056 -3.043 2.851) 5.817 9.120 ( 1.962 -7.259 2.572) 7.947 9.509 ( 1.423 8.317 -10.193) 13.233 9.649 ( -15.376 -1.993 -3.869) 15.980 10.080 ( -4.404 -10.691 -4.588) 12.440 10.127 ( 3.157 2.615 4.876) 6.370 11.075 ( -0.744 5.899 -0.081) 5.946 11.207 ( 4.865 -4.267 -2.675) 7.002 11.628 ( -2.926 2.114 4.502) 5.771 12.382 ( 7.968 0.865 0.578) 8.035 12.669 ( 8.400 8.083 1.263) 11.726 13.264 ( 4.381 2.742 1.106) 5.285 13.439 ( -1.599 -7.494 -0.783) 7.703 13.720 ( -4.498 4.593 -2.434) 6.874 13.915 ( 1.894 -0.304 -0.159) 1.925 14.247 ( -1.594 -1.547 1.793) 2.855 14.342 ( 8.217 5.140 0.395) 9.700 15.165 ( -5.753 -4.013 2.933) 7.602 15.370 ( -1.304 -0.819 1.162) 1.929 15.587 ( -9.541 -5.802 -2.893) 11.535 15.644 ( -2.490 -0.643 -4.502) 5.185 16.003 ( 4.465 1.583 1.548) 4.984 16.346 ( -1.729 -1.510 -5.075) 5.570 16.510 ( -0.491 1.410 8.300) 8.433 16.845 ( 0.301 0.389 -5.030) 5.054 17.191 ( 2.991 0.197 3.090) 4.305 17.407 ( 3.892 3.130 -0.655) 5.037 ======================= Grid point 4 (5/131) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 9.203 5.016 0.768) 10.510 2.089 ( 2.542 2.635 -1.772) 4.067 2.543 ( 11.548 7.414 0.893) 13.752 2.630 ( 15.303 6.918 0.977) 16.823 3.115 ( -20.903 -11.993 -0.939) 24.117 3.348 ( -5.716 -3.100 0.291) 6.509 4.077 ( 28.969 16.297 -1.125) 33.258 4.575 ( -14.514 -6.949 1.060) 16.127 4.997 ( 0.888 -0.181 0.054) 0.908 5.317 ( -4.255 -4.649 -0.099) 6.303 5.458 ( -3.927 -1.415 0.666) 4.227 6.147 ( -2.606 1.807 -1.165) 3.378 6.402 ( -2.519 -4.545 -1.583) 5.433 6.838 ( -2.394 0.773 0.043) 2.516 7.302 ( 0.770 -1.172 1.668) 2.179 7.738 ( 11.293 7.206 -1.125) 13.443 8.091 ( -9.942 -6.136 2.577) 11.964 8.626 ( -3.566 -1.044 1.097) 3.875 8.901 ( -1.313 -2.101 1.735) 3.025 9.094 ( 1.355 -3.965 2.296) 4.778 9.417 ( -6.985 1.506 -4.211) 8.295 9.675 ( 4.399 7.029 -7.188) 10.974 9.895 ( -4.893 -7.768 3.085) 9.685 10.209 ( 2.536 0.940 1.034) 2.896 11.120 ( 0.042 2.984 -0.751) 3.077 11.233 ( 2.049 -2.431 -0.980) 3.327 11.592 ( -2.063 0.788 2.466) 3.310 12.494 ( 3.469 0.317 0.541) 3.525 12.842 ( 3.343 4.298 0.381) 5.458 13.321 ( -1.067 1.739 1.537) 2.554 13.345 ( 1.112 -5.852 -1.080) 6.054 13.689 ( -2.368 1.903 -1.523) 3.398 13.924 ( 0.061 -0.225 -0.262) 0.351 14.216 ( -0.567 -0.679 0.774) 1.176 14.627 ( 13.892 9.021 -0.050) 16.564 14.961 ( -11.349 -7.755 1.637) 13.843 15.353 ( 0.066 0.147 0.817) 0.832 15.408 ( -4.535 -2.697 -1.708) 5.546 15.609 ( -0.905 -0.245 -1.544) 1.806 16.085 ( 2.666 0.894 1.071) 3.009 16.293 ( -1.862 -1.020 -2.273) 3.111 16.523 ( 0.177 0.774 3.178) 3.275 16.849 ( -0.042 0.084 -2.343) 2.345 17.239 ( 1.627 0.251 1.330) 2.116 17.463 ( 0.780 0.852 -0.269) 1.186 ======================= Grid point 10 (6/131) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 15.372 23.355 -8.472) 29.215 1.100 ( 13.755 26.925 -11.331) 32.289 1.293 ( 13.827 23.747 -2.603) 27.603 1.982 ( 27.303 47.396 7.451) 55.203 2.323 ( 2.881 5.114 -1.386) 6.031 4.046 ( -8.414 -16.242 -1.399) 18.345 4.071 ( -9.824 -15.051 1.321) 18.022 4.791 ( 3.477 1.009 0.922) 3.736 4.856 ( 0.436 5.484 -1.438) 5.686 5.680 ( -1.270 -1.193 0.850) 1.939 5.936 ( -7.043 -12.791 -0.813) 14.624 6.421 ( -5.856 -12.278 1.542) 13.690 6.692 ( -1.760 -0.664 -1.967) 2.722 6.958 ( 2.125 0.859 -5.664) 6.110 7.188 ( -1.710 4.015 3.068) 5.335 7.248 ( 4.538 3.007 3.548) 6.498 8.518 ( -0.008 -1.042 2.216) 2.449 8.949 ( -5.743 -7.037 -4.356) 10.074 9.069 ( -0.598 -4.291 4.260) 6.076 9.292 ( -7.154 0.053 2.126) 7.464 9.361 ( 1.988 -5.536 0.083) 5.883 10.021 ( 0.932 0.834 -4.121) 4.306 10.158 ( 0.513 -13.047 -6.131) 14.425 10.295 ( -13.018 -9.004 7.897) 17.689 11.024 ( 1.000 -2.523 0.085) 2.716 11.142 ( 0.093 4.918 4.524) 6.683 11.652 ( 3.000 1.618 -3.163) 4.649 12.236 ( -1.357 10.792 0.093) 10.878 12.296 ( 10.778 7.259 2.323) 13.200 13.063 ( 5.287 9.295 2.248) 10.927 13.490 ( -0.302 1.367 2.630) 2.979 13.785 ( 0.966 -4.009 2.341) 4.742 13.841 ( -1.275 1.351 -0.401) 1.900 14.275 ( -1.118 -2.690 -4.477) 5.342 14.315 ( -1.486 -1.409 0.347) 2.077 15.308 ( -2.479 -4.138 -1.917) 5.191 15.423 ( -1.380 -2.163 0.862) 2.706 15.692 ( -1.041 -3.272 -5.167) 6.204 15.778 ( 0.025 1.522 6.304) 6.485 15.980 ( -2.559 -4.284 -4.211) 6.529 16.351 ( 1.189 2.396 -4.586) 5.309 16.555 ( -1.765 -4.454 -4.467) 6.550 16.820 ( 0.733 1.205 4.322) 4.546 17.129 ( -0.439 2.555 3.855) 4.646 17.209 ( 6.229 8.157 -0.447) 10.273 ======================= Grid point 11 (7/131) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 9.986 22.686 -9.587) 26.576 1.689 ( 24.431 16.772 -7.389) 30.541 1.768 ( 15.600 17.489 -7.201) 24.517 2.430 ( 3.701 4.163 -2.516) 6.112 2.942 ( 31.207 38.263 3.476) 49.498 3.697 ( -12.438 -15.164 -1.556) 19.674 3.726 ( -12.242 -14.359 0.394) 18.873 4.835 ( -0.151 -0.324 -0.523) 0.634 4.904 ( 1.379 2.278 -1.155) 2.903 5.555 ( -7.516 -8.671 1.402) 11.561 5.713 ( -7.083 -5.790 0.191) 9.150 6.210 ( -2.868 -12.278 0.495) 12.618 6.625 ( -6.103 1.977 -3.176) 7.158 6.996 ( -0.009 -0.249 -5.911) 5.916 7.190 ( 0.535 -0.338 5.992) 6.026 7.387 ( 6.812 6.702 4.182) 10.431 8.461 ( -6.213 -1.831 6.009) 8.836 8.762 ( -4.876 -7.953 1.333) 9.424 9.002 ( 0.358 -8.677 2.188) 8.956 9.079 ( -10.619 -2.661 4.759) 11.937 9.458 ( 7.518 1.000 -7.682) 10.795 9.927 ( -8.982 -9.362 -4.092) 13.604 9.961 ( -8.193 -11.281 -4.817) 14.751 10.154 ( 2.172 6.028 7.527) 9.885 11.054 ( 5.296 -2.540 0.266) 5.880 11.184 ( -1.673 5.901 5.037) 7.937 11.707 ( -0.215 2.646 0.400) 2.685 12.337 ( 1.561 9.184 1.083) 9.379 12.572 ( 11.428 7.116 1.212) 13.517 13.239 ( 4.319 7.106 5.869) 10.179 13.428 ( -4.968 -4.472 3.345) 7.474 13.813 ( 3.647 -0.808 4.715) 6.016 13.825 ( -0.575 -0.824 -0.115) 1.011 14.257 ( 0.084 -0.022 -4.469) 4.470 14.293 ( 1.356 1.790 -4.436) 4.972 15.208 ( -4.168 -4.552 -2.003) 6.489 15.383 ( -1.250 -1.166 0.566) 1.801 15.622 ( -1.719 -5.889 -10.541) 12.197 15.677 ( -6.378 -7.100 5.911) 11.226 15.987 ( 1.944 4.750 -4.838) 7.053 16.376 ( -1.486 1.501 -11.078) 11.278 16.505 ( 0.642 -2.695 1.540) 3.170 16.849 ( 0.716 1.430 1.613) 2.271 17.155 ( 1.299 1.676 7.105) 7.415 17.373 ( 4.393 4.724 0.571) 6.476 ======================= Grid point 12 (8/131) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 7.818 15.599 -9.011) 19.638 2.100 ( 5.756 11.936 -8.713) 15.859 2.286 ( 24.588 12.589 -6.247) 28.320 2.525 ( 4.156 1.458 -3.794) 5.813 3.298 ( -15.620 -14.928 -2.801) 21.787 3.395 ( -7.817 -10.897 -0.823) 13.437 3.813 ( 26.510 28.608 0.054) 39.003 4.752 ( -9.018 -1.373 -1.742) 9.287 4.953 ( 2.798 -0.720 -1.119) 3.099 5.344 ( -5.662 -6.109 1.670) 8.495 5.536 ( -7.242 -3.732 2.497) 8.521 6.075 ( 1.004 -12.651 0.583) 12.704 6.539 ( -7.773 6.542 -2.024) 10.359 6.942 ( -5.732 1.711 -3.960) 7.174 7.211 ( 4.566 -4.869 6.224) 9.127 7.631 ( 10.743 10.090 2.725) 14.989 8.248 ( -13.528 -3.449 7.111) 15.667 8.664 ( -0.770 -3.911 3.749) 5.473 8.911 ( 0.827 -9.555 1.708) 9.742 8.921 ( -2.334 -5.262 2.808) 6.405 9.598 ( 4.908 -1.370 -8.610) 10.005 9.656 ( -9.720 1.859 -2.801) 10.285 9.781 ( -0.508 -14.934 -0.598) 14.954 10.274 ( 0.575 10.616 5.047) 11.769 11.143 ( 6.093 -0.238 1.273) 6.229 11.198 ( -3.311 5.233 5.674) 8.398 11.684 ( -4.649 1.878 1.912) 5.366 12.464 ( 3.008 6.893 1.223) 7.620 12.808 ( 7.191 5.266 0.823) 8.951 13.276 ( -2.861 -8.552 1.600) 9.159 13.349 ( 1.277 5.526 8.920) 10.571 13.759 ( -4.593 -0.695 3.418) 5.767 13.874 ( 3.968 -3.644 5.269) 7.535 14.247 ( -1.777 2.461 -5.784) 6.532 14.470 ( 12.353 6.558 -8.073) 16.148 15.047 ( -7.959 -7.843 -3.797) 11.801 15.359 ( -0.602 -0.179 -0.234) 0.670 15.463 ( -6.007 -5.642 -4.277) 9.285 15.574 ( 0.388 -5.602 -2.732) 6.245 16.080 ( 2.121 5.433 -3.837) 6.981 16.333 ( -3.272 -0.121 -9.069) 9.642 16.509 ( 1.339 -1.418 -0.590) 2.038 16.866 ( -0.506 1.638 0.548) 1.800 17.208 ( 2.423 1.793 7.359) 7.952 17.450 ( 1.531 0.664 1.791) 2.448 ======================= Grid point 13 (9/131) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -2.921 6.577 -8.888) 11.436 2.172 ( -5.562 5.369 -8.762) 11.684 2.576 ( 0.550 -1.272 -5.687) 5.853 2.826 ( 21.426 7.827 -3.613) 23.095 2.845 ( -16.810 -12.180 -4.322) 21.204 3.260 ( 2.866 -5.517 -1.883) 6.496 4.418 ( 10.435 12.777 -3.142) 16.793 4.449 ( -18.284 -1.853 -0.739) 18.392 4.981 ( 1.877 -1.378 -0.811) 2.466 5.284 ( 1.789 1.362 1.820) 2.893 5.436 ( -0.300 -0.244 2.735) 2.763 5.989 ( 4.290 -12.203 2.080) 13.101 6.520 ( -3.976 11.135 0.872) 11.856 6.865 ( -4.418 1.226 -2.410) 5.179 7.250 ( 4.900 -3.812 2.868) 6.839 7.867 ( -4.059 3.102 2.858) 5.854 8.026 ( 0.685 2.450 5.211) 5.798 8.614 ( -1.645 -0.072 1.403) 2.164 8.856 ( 3.719 -9.780 0.356) 10.469 8.942 ( 9.106 -1.285 2.774) 9.605 9.471 ( -6.188 -1.415 -2.053) 6.672 9.632 ( -1.205 -10.119 5.092) 11.392 9.772 ( 8.389 1.203 -5.802) 10.270 10.345 ( -4.560 8.960 2.508) 10.362 11.155 ( -5.098 0.691 7.756) 9.307 11.255 ( 3.385 4.381 2.723) 6.170 11.617 ( -3.527 1.123 -0.713) 3.770 12.555 ( -0.482 5.628 0.135) 5.650 12.862 ( -3.085 -2.513 0.918) 4.083 13.233 ( 5.799 -4.455 1.294) 7.426 13.417 ( 0.118 6.770 8.207) 10.640 13.664 ( -3.225 -3.806 7.018) 8.610 13.892 ( 2.311 -2.973 4.948) 6.218 14.249 ( -1.848 4.057 -7.775) 8.962 14.739 ( -3.542 -5.416 -6.455) 9.141 14.818 ( 6.284 1.031 -7.849) 10.107 15.359 ( -0.419 -0.053 -1.357) 1.421 15.374 ( 0.515 -0.189 -1.741) 1.825 15.546 ( 2.551 -5.012 -2.285) 6.071 16.145 ( -1.406 4.026 -5.294) 6.797 16.291 ( -0.612 0.843 -4.315) 4.439 16.507 ( 0.320 -2.148 -5.728) 6.125 16.868 ( -1.096 1.599 3.495) 3.997 17.253 ( 0.274 1.195 5.038) 5.185 17.456 ( 0.284 -1.509 2.676) 3.085 ======================= Grid point 15 (10/131) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -18.367 0.921 -9.994) 20.930 2.068 ( -11.317 0.278 -5.618) 12.637 2.283 ( -22.428 -14.328 -6.416) 27.376 2.561 ( -5.595 -2.767 -6.981) 9.364 3.303 ( 21.559 6.412 -1.178) 22.523 3.388 ( 13.310 1.066 -1.674) 13.457 3.818 ( -38.666 -8.749 1.519) 39.672 4.701 ( 5.480 5.391 -2.730) 8.158 4.991 ( 0.149 -0.971 -1.169) 1.527 5.398 ( 9.050 1.236 -0.086) 9.134 5.526 ( 5.263 6.194 2.209) 8.423 6.006 ( 9.550 -7.576 3.272) 12.621 6.612 ( -0.604 11.758 4.098) 12.467 6.833 ( 1.364 -0.056 -3.401) 3.665 7.288 ( 2.498 -2.804 -0.192) 3.760 7.615 ( -14.108 -4.433 3.871) 15.286 8.242 ( 7.994 8.678 2.189) 12.000 8.658 ( 5.594 2.190 -2.521) 6.515 8.864 ( 8.027 -8.698 2.028) 12.009 9.153 ( 9.245 7.061 -2.413) 11.880 9.360 ( -0.231 -9.840 5.632) 11.340 9.567 ( 0.409 1.854 4.351) 4.747 9.938 ( 10.582 -1.369 -2.897) 11.056 10.295 ( -8.782 5.180 1.721) 10.340 11.052 ( -4.109 -2.771 6.963) 8.547 11.310 ( -2.290 3.057 4.708) 6.062 11.614 ( 0.272 3.656 -3.601) 5.139 12.543 ( -7.065 4.954 -0.586) 8.649 12.716 ( -6.537 -7.499 -0.052) 9.949 13.292 ( 1.607 -0.783 3.946) 4.332 13.507 ( 0.462 9.070 4.426) 10.103 13.588 ( 1.869 -7.324 9.052) 11.793 13.901 ( 1.778 -2.430 4.364) 5.302 14.261 ( -1.127 3.336 -7.376) 8.173 14.451 ( -10.925 -7.716 -8.225) 15.701 15.070 ( 9.904 2.975 -7.483) 12.765 15.359 ( 0.618 0.561 -1.936) 2.108 15.466 ( 8.097 2.618 0.595) 8.531 15.563 ( 4.297 -3.558 0.391) 5.593 16.098 ( -5.689 0.976 -6.141) 8.428 16.342 ( 2.309 3.919 -1.068) 4.672 16.479 ( -0.151 -3.229 -10.755) 11.230 16.862 ( -1.191 1.107 6.715) 6.909 17.234 ( -2.407 -0.648 3.361) 4.184 17.436 ( -1.493 -1.295 2.495) 3.183 ======================= Grid point 16 (11/131) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -24.854 2.589 -10.061) 26.937 1.703 ( -26.829 -13.622 -9.471) 31.544 1.756 ( -22.073 -3.239 -3.461) 22.576 2.437 ( -6.134 -1.619 -4.357) 7.697 2.945 ( -48.924 -8.101 4.193) 49.767 3.695 ( 18.625 3.148 -1.585) 18.956 3.728 ( 19.491 3.466 0.839) 19.815 4.785 ( 0.789 2.146 -0.723) 2.398 4.951 ( -2.961 -2.054 -1.612) 3.948 5.595 ( 10.716 -1.334 0.768) 10.826 5.690 ( 7.749 5.711 -0.339) 9.632 6.170 ( 13.527 -0.867 2.885) 13.858 6.673 ( -0.469 3.290 1.410) 3.610 6.920 ( 3.962 3.288 -3.966) 6.499 7.265 ( -0.958 -4.252 0.321) 4.370 7.363 ( -10.333 -1.099 4.016) 11.141 8.434 ( 5.573 5.153 1.876) 7.819 8.805 ( 8.292 0.373 -6.457) 10.516 8.956 ( 8.440 -2.579 4.867) 10.079 9.281 ( 0.933 -0.120 2.141) 2.339 9.305 ( 2.041 -2.024 1.433) 3.212 9.761 ( 14.767 8.504 -2.999) 17.302 10.095 ( 6.650 -2.107 0.986) 7.045 10.186 ( -2.627 -0.570 4.130) 4.928 10.995 ( 0.078 -0.907 2.975) 3.112 11.248 ( -5.044 -1.072 5.112) 7.261 11.657 ( -1.112 4.432 -3.540) 5.780 12.426 ( -10.600 3.592 0.827) 11.222 12.498 ( -9.547 -7.287 -0.845) 12.040 13.237 ( -7.454 -0.174 4.568) 8.744 13.517 ( 0.403 -3.730 7.672) 8.540 13.666 ( 5.163 4.634 0.468) 6.953 13.889 ( -0.756 -2.610 2.785) 3.891 14.261 ( -1.754 -0.648 -6.190) 6.466 14.293 ( -0.470 0.047 -4.746) 4.769 15.214 ( 5.546 0.908 -5.316) 7.736 15.385 ( 1.669 0.425 -0.927) 1.956 15.616 ( 5.118 -1.331 -3.274) 6.220 15.676 ( 10.366 2.220 7.298) 12.870 15.998 ( -5.466 -0.030 -6.029) 8.138 16.393 ( -1.929 1.942 -2.728) 3.865 16.472 ( 3.725 -0.928 -10.444) 11.127 16.846 ( -1.449 0.259 7.066) 7.218 17.178 ( -2.230 -1.528 3.494) 4.418 17.360 ( -6.338 -0.710 1.204) 6.490 ======================= Grid point 21 (12/131) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 9.479 16.735 -14.355) 24.000 2.068 ( 12.959 18.602 -11.328) 25.343 2.106 ( 9.556 17.317 -7.424) 21.126 2.511 ( 0.448 3.825 -7.732) 8.638 3.366 ( -10.185 -16.591 -2.895) 19.681 3.400 ( -8.276 -15.502 -1.223) 17.615 3.729 ( 20.477 35.774 1.626) 41.252 4.792 ( 1.599 -3.394 -2.139) 4.319 4.949 ( -2.426 1.087 -2.780) 3.847 5.386 ( -5.898 -6.614 1.613) 9.008 5.605 ( -3.853 -5.090 2.245) 6.767 5.946 ( -3.668 -12.810 3.109) 13.682 6.705 ( -2.194 5.498 -0.343) 5.929 6.913 ( 5.596 -7.079 -3.068) 9.531 7.196 ( -5.907 0.119 3.410) 6.822 7.577 ( 7.820 12.101 4.884) 15.213 8.395 ( -0.602 -5.229 7.245) 8.955 8.626 ( -8.528 -5.100 1.522) 10.052 8.765 ( -2.060 -12.281 0.682) 12.471 9.089 ( -12.165 2.534 7.179) 14.350 9.390 ( 7.592 -11.036 -8.075) 15.641 9.657 ( 2.272 -6.323 0.007) 6.719 9.854 ( -10.872 -4.584 0.567) 11.812 10.339 ( 4.467 9.639 2.584) 10.933 11.049 ( 5.027 2.963 5.154) 7.786 11.301 ( -1.410 4.895 6.342) 8.134 11.708 ( 2.273 -2.548 0.486) 3.449 12.549 ( -1.643 10.991 1.332) 11.192 12.688 ( 10.567 3.801 -0.647) 11.249 13.277 ( -4.251 -5.574 4.070) 8.105 13.426 ( -3.980 6.377 12.877) 14.910 13.711 ( 7.929 -6.025 6.562) 11.926 13.836 ( -4.632 -0.756 6.183) 7.763 14.321 ( -0.820 5.554 -10.491) 11.899 14.348 ( 6.676 4.428 -11.061) 13.657 15.088 ( -5.628 -7.953 -7.822) 12.494 15.366 ( -0.382 -0.536 -1.300) 1.457 15.492 ( -4.612 -7.051 -5.120) 9.859 15.526 ( -2.315 -5.786 0.758) 6.278 16.100 ( 2.475 5.729 -6.590) 9.076 16.396 ( -3.630 -1.056 -11.275) 11.892 16.446 ( 3.226 -1.480 -4.393) 5.648 16.879 ( 1.077 1.350 5.079) 5.364 17.209 ( 0.594 3.500 7.770) 8.542 17.430 ( 1.294 0.853 2.914) 3.301 ======================= Grid point 22 (13/131) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.925 11.343 -15.166) 18.961 2.333 ( -0.204 10.323 -14.269) 17.613 2.526 ( 7.725 4.280 -7.661) 11.691 2.553 ( 13.055 8.804 -8.729) 18.004 3.001 ( -14.884 -13.222 -5.120) 20.557 3.144 ( -1.132 -13.849 -2.933) 14.202 4.355 ( 14.556 22.820 -3.046) 27.238 4.721 ( -9.450 -1.062 -3.223) 10.041 4.915 ( 1.459 -3.725 -3.344) 5.214 5.309 ( -0.694 3.367 4.622) 5.760 5.469 ( -5.792 -2.384 3.918) 7.388 5.787 ( 2.081 -15.104 3.902) 15.738 6.714 ( -4.897 9.864 -0.543) 11.026 6.944 ( 0.094 -1.563 -4.835) 5.082 7.106 ( 1.532 -5.568 7.107) 9.158 7.872 ( 10.170 13.916 5.076) 17.968 8.194 ( -16.184 -1.701 8.353) 18.291 8.541 ( 8.129 -14.497 8.734) 18.775 8.665 ( -0.685 -3.664 -0.856) 3.825 8.946 ( -5.394 3.676 1.077) 6.616 9.334 ( 4.310 -17.524 -3.648) 18.412 9.680 ( -3.272 0.063 2.121) 3.900 9.698 ( 0.695 1.213 -1.495) 2.047 10.476 ( 0.079 7.795 1.122) 7.876 11.208 ( 6.274 6.039 7.099) 11.235 11.288 ( -4.934 3.593 8.027) 10.084 11.673 ( -2.275 -2.895 1.929) 4.157 12.638 ( -0.482 9.789 0.994) 9.852 12.865 ( 4.557 0.380 0.963) 4.673 13.093 ( -2.055 -9.548 2.797) 10.159 13.486 ( 0.377 8.023 13.656) 15.843 13.715 ( -5.704 -2.996 8.032) 10.297 13.778 ( 5.323 -5.551 11.254) 13.631 14.360 ( -3.132 8.351 -13.617) 16.278 14.575 ( 13.401 3.502 -12.914) 18.938 14.852 ( -9.302 -11.058 -10.966) 18.140 15.361 ( -0.028 0.252 -1.725) 1.744 15.384 ( -2.140 -1.962 -3.994) 4.937 15.458 ( 0.785 -5.138 -3.876) 6.484 16.192 ( 1.433 5.218 -6.974) 8.827 16.325 ( -2.821 -1.116 -8.602) 9.122 16.470 ( 1.329 -1.864 -7.398) 7.745 16.901 ( -0.320 1.444 3.853) 4.128 17.267 ( 0.998 3.860 8.391) 9.290 17.427 ( 0.173 -2.781 4.684) 5.450 ======================= Grid point 23 (14/131) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -9.720 4.535 -15.128) 18.545 2.291 ( -10.914 5.805 -13.373) 18.211 2.501 ( -11.481 -4.633 -7.916) 14.696 2.618 ( -9.187 -7.825 -10.154) 15.771 2.994 ( 19.702 7.012 -3.935) 21.279 3.140 ( 12.219 -5.809 -3.445) 13.961 4.366 ( -27.667 -2.219 -2.421) 27.861 4.684 ( 4.489 8.998 -3.904) 10.787 4.937 ( 3.979 -3.233 -2.883) 5.882 5.322 ( -0.919 1.034 3.427) 3.696 5.486 ( 5.419 4.614 4.124) 8.226 5.757 ( 9.718 -8.809 4.550) 13.883 6.763 ( -2.337 12.252 2.258) 12.675 6.849 ( -4.797 -3.523 -3.245) 6.779 7.158 ( 7.267 -5.009 2.766) 9.249 7.859 ( -17.034 -0.833 5.943) 18.060 8.208 ( 8.618 12.439 7.091) 16.712 8.547 ( 11.632 -15.996 6.137) 20.709 8.631 ( -0.703 1.614 0.395) 1.804 9.047 ( 8.250 6.186 0.630) 10.331 9.234 ( 3.332 -11.759 -1.168) 12.278 9.632 ( -3.065 3.293 1.809) 4.849 9.767 ( 5.797 -2.107 -0.777) 6.216 10.480 ( -6.258 3.582 0.282) 7.216 11.167 ( -9.117 1.102 9.931) 13.527 11.345 ( 1.067 1.874 6.708) 7.046 11.642 ( 1.075 1.990 0.709) 2.370 12.707 ( -3.181 8.894 -0.270) 9.450 12.764 ( -7.733 -6.318 1.535) 10.103 13.140 ( 10.873 -4.839 3.298) 12.349 13.570 ( -5.674 -4.127 13.949) 15.615 13.590 ( 0.933 9.012 9.831) 13.369 13.811 ( 4.372 -4.663 9.153) 11.164 14.370 ( -4.941 7.271 -13.986) 16.519 14.551 ( -10.057 -9.015 -12.598) 18.470 14.872 ( 14.443 0.978 -11.705) 18.617 15.360 ( -0.173 0.304 -2.706) 2.728 15.386 ( 2.823 0.782 -2.108) 3.609 15.454 ( 3.652 -3.133 -3.780) 6.119 16.199 ( -4.687 0.909 -8.119) 9.418 16.328 ( 2.952 2.030 -5.859) 6.868 16.459 ( -0.301 -1.706 -9.653) 9.807 16.899 ( -1.285 1.092 5.043) 5.318 17.277 ( -3.003 0.605 7.353) 7.965 17.420 ( 1.854 -1.264 4.987) 5.469 ======================= Grid point 31 (15/131) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.000 -0.000 -17.441) 17.441 2.495 ( -2.433 -4.866 -14.377) 15.372 2.495 ( 2.433 4.866 -14.377) 15.372 2.810 ( -3.918 -7.836 -6.391) 10.844 2.810 ( 3.918 7.836 -6.391) 10.844 2.900 ( 0.000 0.000 -3.244) 3.244 4.609 ( -0.000 -0.000 -5.260) 5.260 4.785 ( -3.972 -7.944 -4.055) 9.763 4.785 ( 3.972 7.944 -4.055) 9.763 5.449 ( -0.894 -1.788 4.525) 4.947 5.449 ( 0.894 1.788 4.525) 4.947 5.524 ( -0.000 -0.000 7.376) 7.376 6.858 ( -0.000 -0.000 -7.328) 7.328 6.966 ( -3.674 -7.349 4.740) 9.486 6.966 ( 3.674 7.349 4.740) 9.486 8.183 ( 0.000 -0.000 10.152) 10.152 8.188 ( -5.833 -11.666 5.789) 14.270 8.188 ( 5.833 11.666 5.789) 14.270 8.667 ( -0.000 -0.000 4.828) 4.828 9.059 ( -3.364 -6.729 -2.112) 7.814 9.059 ( 3.364 6.729 -2.112) 7.814 9.695 ( -0.735 -1.470 1.094) 1.975 9.695 ( 0.735 1.470 1.094) 1.975 10.556 ( -0.000 -0.000 -0.709) 0.709 11.314 ( -1.466 -2.931 9.471) 10.022 11.314 ( 1.466 2.931 9.471) 10.022 11.622 ( -0.000 -0.000 2.158) 2.158 12.786 ( -0.000 -0.000 0.123) 0.123 12.902 ( -4.011 -8.021 2.770) 9.386 12.902 ( 4.011 8.021 2.770) 9.386 13.651 ( -1.684 -3.368 8.401) 9.206 13.651 ( 1.684 3.368 8.401) 9.206 13.674 ( 0.000 -0.000 20.837) 20.837 14.508 ( -0.000 0.000 -15.917) 15.917 14.643 ( -3.351 -6.701 -14.240) 16.091 14.643 ( 3.351 6.701 -14.240) 16.091 15.363 ( -0.000 -0.000 -2.299) 2.299 15.385 ( -0.860 -1.719 -4.430) 4.829 15.385 ( 0.860 1.719 -4.430) 4.829 16.279 ( -1.486 -2.973 -8.066) 8.724 16.279 ( 1.486 2.973 -8.066) 8.724 16.452 ( -0.000 -0.000 -9.079) 9.079 16.916 ( -0.000 -0.000 4.228) 4.228 17.352 ( -1.884 -3.767 7.239) 8.375 17.352 ( 1.884 3.767 7.239) 8.375 ======================= Grid point 91 (16/131) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 0.000 27.609) 27.609 0.584 ( 0.000 -0.000 27.609) 27.609 0.712 ( 0.000 -0.000 12.871) 12.871 1.016 ( 0.000 0.000 48.613) 48.613 2.203 ( 0.000 0.000 -0.416) 0.416 4.553 ( 0.000 0.000 0.413) 0.413 4.553 ( 0.000 -0.000 0.413) 0.413 4.616 ( 0.000 0.000 2.672) 2.672 4.616 ( 0.000 -0.000 2.672) 2.672 5.590 ( 0.000 0.000 -8.093) 8.093 6.178 ( 0.000 0.000 -10.341) 10.341 6.652 ( 0.000 0.000 -2.252) 2.252 6.652 ( -0.000 -0.000 -2.252) 2.252 6.972 ( 0.000 0.000 0.031) 0.031 6.972 ( 0.000 -0.000 0.031) 0.031 7.115 ( 0.000 0.000 1.011) 1.011 7.115 ( 0.000 -0.000 1.011) 1.011 9.035 ( 0.000 0.000 -9.340) 9.340 9.035 ( 0.000 0.000 -9.340) 9.340 9.335 ( 0.000 0.000 1.667) 1.667 9.560 ( 0.000 0.000 0.417) 0.417 9.560 ( 0.000 -0.000 0.417) 0.417 10.037 ( 0.000 0.000 5.773) 5.773 11.014 ( 0.000 0.000 -3.550) 3.550 11.014 ( 0.000 -0.000 -3.550) 3.550 11.646 ( 0.000 0.000 3.910) 3.910 11.646 ( -0.000 -0.000 3.910) 3.910 11.911 ( 0.000 0.000 -11.259) 11.259 12.039 ( 0.000 0.000 -1.129) 1.129 12.039 ( 0.000 0.000 -1.129) 1.129 12.959 ( 0.000 -0.000 12.938) 12.938 13.787 ( 0.000 -0.000 9.205) 9.205 13.882 ( 0.000 0.000 -0.511) 0.511 13.882 ( 0.000 -0.000 -0.511) 0.511 14.365 ( -0.000 0.000 0.536) 0.536 14.365 ( 0.000 -0.000 0.536) 0.536 15.547 ( 0.000 0.000 -0.242) 0.242 15.620 ( 0.000 0.000 3.230) 3.230 15.620 ( 0.000 0.000 3.230) 3.230 16.128 ( 0.000 0.000 0.180) 0.180 16.226 ( 0.000 -0.000 -6.164) 6.164 16.644 ( 0.000 -0.000 -4.884) 4.884 16.808 ( 0.000 0.000 1.363) 1.363 16.808 ( 0.000 -0.000 1.363) 1.363 19.728 ( 0.000 0.000 2.119) 2.119 ======================= Grid point 92 (17/131) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 31.849 -1.490 11.532) 33.905 0.935 ( 18.056 5.293 20.367) 27.728 0.980 ( 19.115 6.816 15.751) 25.689 1.479 ( 30.165 29.547 26.693) 49.955 2.241 ( 3.769 1.262 -0.873) 4.069 4.287 ( -13.067 -8.717 -0.422) 15.713 4.338 ( -14.589 -7.264 1.476) 16.365 4.732 ( 4.032 4.963 0.902) 6.458 4.810 ( 7.676 1.849 2.941) 8.426 5.603 ( 0.922 1.181 -7.520) 7.668 6.052 ( -9.094 -5.876 -8.531) 13.785 6.560 ( -9.231 -1.956 -2.683) 9.810 6.677 ( 0.593 -3.080 -1.944) 3.690 6.921 ( 3.510 -9.259 -1.887) 10.080 7.140 ( 1.394 2.681 -1.158) 3.236 7.166 ( 2.178 9.463 -0.254) 9.714 8.169 ( 29.692 19.045 -24.902) 43.179 8.961 ( -4.875 0.760 -10.860) 11.928 9.138 ( 4.442 -3.112 -1.291) 5.575 9.308 ( -0.808 0.209 0.660) 1.064 9.447 ( -11.393 2.036 -1.327) 11.650 9.782 ( 15.814 -1.446 -18.592) 24.451 10.085 ( 2.663 5.227 3.109) 6.639 10.710 ( -27.091 -18.142 5.395) 33.048 11.008 ( -0.794 2.610 -4.777) 5.501 11.143 ( -6.147 1.044 7.467) 9.728 11.647 ( 4.431 -5.196 1.727) 7.044 12.049 ( 2.765 3.383 -3.354) 5.508 12.182 ( 6.834 10.926 -0.859) 12.916 12.886 ( 17.310 11.409 -21.945) 30.189 13.158 ( 18.432 10.217 -12.259) 24.380 13.688 ( -5.429 2.209 -3.889) 7.034 13.887 ( -1.345 -1.513 1.148) 2.327 14.161 ( 16.318 -1.956 -8.793) 18.639 14.348 ( -1.582 3.435 -0.367) 3.799 14.497 ( 16.176 7.446 -8.196) 19.603 15.462 ( -4.374 -2.876 0.742) 5.287 15.581 ( -2.838 -1.827 2.733) 4.343 15.712 ( 4.917 2.749 2.030) 5.988 16.112 ( -2.192 -1.781 1.164) 3.055 16.268 ( 3.808 1.521 -6.072) 7.327 16.494 ( -5.512 -6.128 -1.331) 8.349 16.806 ( -0.164 0.243 1.598) 1.625 17.000 ( 9.658 7.959 -1.998) 12.674 18.755 ( -46.840 -26.723 55.277) 77.224 ======================= Grid point 93 (18/131) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 20.539 1.428 18.788) 27.872 1.392 ( 32.986 3.890 2.546) 33.312 1.443 ( 23.187 7.302 3.326) 24.536 2.351 ( 8.005 1.346 -1.661) 8.286 2.389 ( 35.874 28.649 11.420) 47.308 3.933 ( -16.021 -10.185 -0.828) 19.003 3.981 ( -16.457 -9.200 0.397) 18.858 4.803 ( 0.079 2.264 1.290) 2.607 4.927 ( 5.356 -0.929 2.645) 6.045 5.622 ( -0.896 0.743 -5.187) 5.316 5.795 ( -11.301 -7.314 -5.124) 14.403 6.345 ( -11.559 -2.030 -1.452) 11.826 6.587 ( -3.701 -6.291 -2.861) 7.839 6.928 ( 2.759 -4.567 -3.131) 6.187 7.192 ( 1.552 3.640 -1.591) 4.265 7.329 ( 5.518 8.694 2.329) 10.557 8.464 ( 0.573 4.588 -5.062) 6.856 8.873 ( -4.060 -3.028 -8.362) 9.776 9.119 ( -2.372 0.214 4.375) 4.981 9.230 ( -7.021 -4.067 0.927) 8.167 9.325 ( -1.373 0.049 -1.336) 1.916 9.912 ( 5.981 -8.882 -14.531) 18.050 10.037 ( -25.048 -6.005 -2.667) 25.895 10.231 ( -0.938 2.672 6.292) 6.899 11.042 ( 2.201 0.621 -6.808) 7.182 11.086 ( -4.558 4.022 2.416) 6.541 11.683 ( 1.995 0.034 0.737) 2.126 12.180 ( 7.483 3.468 -3.771) 9.068 12.437 ( 9.908 9.253 0.190) 13.558 13.119 ( 4.736 8.818 -2.683) 10.362 13.387 ( 0.500 3.313 -10.233) 10.767 13.680 ( -0.743 4.565 -10.339) 11.326 13.812 ( -4.341 -1.309 -1.851) 4.897 14.258 ( 6.915 -4.656 0.909) 8.386 14.345 ( -0.041 -2.031 2.641) 3.331 14.920 ( 16.105 3.602 -26.073) 30.857 15.368 ( -2.783 -2.148 -0.383) 3.536 15.500 ( -3.157 -3.050 2.429) 5.016 15.797 ( 0.587 0.988 2.318) 2.587 16.031 ( -1.117 -4.043 2.529) 4.898 16.303 ( 0.930 -6.289 -0.347) 6.367 16.434 ( 2.621 -0.125 -6.977) 7.454 16.811 ( -0.432 2.117 2.344) 3.188 17.236 ( 7.277 8.230 -1.951) 11.157 17.999 ( -21.501 -11.325 47.948) 53.754 ======================= Grid point 94 (19/131) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 18.984 -0.653 9.641) 21.302 1.840 ( 17.443 2.333 -1.219) 17.640 2.016 ( 30.481 6.623 1.221) 31.217 2.489 ( 8.374 -1.769 -1.594) 8.706 3.281 ( 33.953 21.998 2.345) 40.524 3.544 ( -16.276 -11.548 -1.644) 20.024 3.599 ( -14.628 -8.317 0.043) 16.827 4.768 ( -4.652 -2.620 -0.236) 5.344 4.985 ( 3.235 -1.970 1.558) 4.095 5.510 ( -7.686 -7.981 -1.001) 11.125 5.601 ( -6.615 1.094 -0.395) 6.717 6.165 ( -7.709 1.424 -2.068) 8.107 6.470 ( -2.770 -4.304 -1.472) 5.326 6.873 ( -3.807 -3.319 -3.207) 5.983 7.277 ( 3.082 3.006 -2.564) 5.011 7.529 ( 7.537 8.878 5.126) 12.724 8.389 ( -10.205 -0.091 1.760) 10.356 8.756 ( -4.927 -4.209 -3.496) 7.363 9.030 ( -7.828 -0.125 3.841) 8.720 9.196 ( 7.036 -4.606 -0.247) 8.413 9.302 ( -3.381 3.069 -5.038) 6.799 9.545 ( -18.946 -1.301 -5.934) 19.896 9.920 ( 4.858 -10.898 -8.823) 14.840 10.274 ( -1.580 6.312 7.080) 9.616 11.038 ( -5.675 7.730 -4.664) 10.664 11.114 ( 3.803 -0.398 -4.912) 6.225 11.697 ( -1.839 1.765 1.711) 3.070 12.347 ( 7.754 1.567 -3.948) 8.841 12.683 ( 7.513 7.773 0.242) 10.813 13.249 ( -0.761 9.552 -3.322) 10.141 13.360 ( -2.516 -1.612 -6.863) 7.486 13.635 ( -7.890 3.391 -4.459) 9.676 13.789 ( -0.484 3.224 -11.896) 12.335 14.310 ( 1.111 -5.795 4.592) 7.476 14.410 ( 13.331 -0.692 5.506) 14.440 15.068 ( 2.870 -6.181 -12.880) 14.572 15.353 ( 2.143 0.251 -5.558) 5.962 15.426 ( -1.464 -2.637 3.289) 4.463 15.705 ( -6.486 -4.335 4.393) 8.953 16.063 ( 6.488 -1.967 2.110) 7.101 16.239 ( 0.499 -7.411 -1.301) 7.541 16.465 ( 1.030 -2.905 -8.320) 8.873 16.846 ( 0.597 5.063 3.380) 6.117 17.405 ( 3.375 6.797 0.546) 7.608 17.660 ( -10.440 -4.446 31.580) 33.557 ======================= Grid point 95 (20/131) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 10.191 -5.930 0.698) 11.812 2.081 ( 11.302 -3.933 1.488) 12.059 2.556 ( 10.711 0.698 0.196) 10.735 2.614 ( 20.924 2.373 -2.166) 21.169 3.086 ( -19.564 -14.794 -1.442) 24.571 3.336 ( -5.309 -4.980 -1.280) 7.390 4.032 ( 27.231 14.606 -3.187) 31.064 4.555 ( -13.667 -9.783 -3.020) 17.077 5.009 ( 1.417 -1.206 1.253) 2.243 5.341 ( -4.082 -2.478 2.194) 5.255 5.500 ( -5.138 0.959 3.305) 6.184 6.111 ( -2.043 3.846 -2.177) 4.869 6.424 ( 0.649 -0.589 3.626) 3.730 6.780 ( -2.442 -2.107 -4.579) 5.601 7.316 ( -1.470 1.558 -1.707) 2.739 7.760 ( 7.133 8.837 3.432) 11.864 8.168 ( -12.207 -1.800 4.482) 13.128 8.639 ( -4.781 -0.990 -0.384) 4.897 8.878 ( -5.603 -4.958 -3.409) 8.222 9.133 ( -6.991 0.140 1.159) 7.088 9.371 ( 5.510 3.252 -2.196) 6.765 9.479 ( 3.698 8.462 -8.597) 12.617 9.881 ( 3.071 -10.533 -3.654) 11.564 10.291 ( -3.270 4.689 5.565) 7.978 11.038 ( -3.722 8.598 -7.357) 11.912 11.169 ( 1.646 1.479 -4.718) 5.211 11.651 ( -4.148 -0.097 2.393) 4.790 12.451 ( 2.758 -0.420 -4.377) 5.190 12.828 ( 1.512 4.399 -1.610) 4.922 13.273 ( -2.899 2.102 -5.822) 6.835 13.322 ( -1.992 3.367 -1.073) 4.057 13.562 ( -5.583 7.421 -9.461) 13.257 13.814 ( -0.858 4.053 -10.110) 10.926 14.270 ( 2.359 -7.838 4.783) 9.480 14.672 ( 14.753 1.054 3.480) 15.195 14.950 ( -5.123 -11.572 -2.083) 12.825 15.378 ( 1.585 -1.215 -1.032) 2.248 15.412 ( 0.500 -1.438 4.351) 4.609 15.594 ( -0.090 -2.492 0.594) 2.563 16.148 ( 4.388 -6.109 5.128) 9.103 16.192 ( 2.882 -2.684 -6.077) 7.241 16.410 ( -1.699 -5.565 -9.787) 11.386 16.929 ( 2.084 5.998 5.271) 8.253 17.471 ( -5.505 1.384 15.095) 16.127 17.519 ( -0.307 2.314 8.811) 9.115 ======================= Grid point 96 (21/131) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.822 -12.783 1.077) 12.854 2.137 ( 2.116 -10.161 2.955) 10.791 2.516 ( -5.337 -11.031 -2.065) 12.427 2.582 ( -16.630 -15.005 -2.975) 22.595 3.122 ( 22.701 9.493 0.009) 24.606 3.328 ( 6.457 1.657 -1.406) 6.813 4.070 ( -26.766 -15.989 -1.978) 31.241 4.516 ( 16.640 5.313 -4.461) 18.029 5.008 ( -0.428 -0.758 1.288) 1.554 5.344 ( 3.192 4.421 2.221) 5.888 5.480 ( 0.387 3.693 2.867) 4.691 6.151 ( 2.536 2.487 -0.854) 3.654 6.485 ( 3.597 4.530 6.382) 8.613 6.764 ( 3.289 -2.619 -6.387) 7.646 7.277 ( -4.402 2.313 -1.569) 5.215 7.783 ( -10.520 -3.784 2.507) 11.458 8.084 ( 1.714 8.762 2.497) 9.271 8.591 ( -0.617 1.472 -2.737) 3.168 8.806 ( -0.015 1.356 -7.147) 7.274 9.079 ( -1.409 3.237 1.347) 3.778 9.513 ( 9.332 0.348 4.105) 10.201 9.674 ( 4.364 8.168 -8.086) 12.294 9.829 ( 3.394 -6.953 -1.162) 7.824 10.250 ( -5.195 2.877 3.786) 7.043 11.068 ( -2.850 6.979 -6.110) 9.704 11.198 ( -1.758 4.592 -3.837) 6.237 11.573 ( -1.803 -3.421 0.342) 3.882 12.430 ( -3.826 -0.756 -5.116) 6.433 12.812 ( -3.902 -3.546 -2.543) 5.853 13.245 ( -3.298 3.469 -5.409) 7.223 13.340 ( -2.941 9.449 -0.925) 9.939 13.585 ( -0.166 5.175 -11.499) 12.611 13.842 ( -0.826 4.352 -7.305) 8.543 14.242 ( 3.373 -7.326 3.549) 8.812 14.686 ( -8.675 -14.337 5.146) 17.529 14.898 ( 10.085 -0.998 -3.524) 10.730 15.374 ( -0.394 -1.667 2.436) 2.978 15.455 ( 5.565 0.938 2.703) 6.258 15.634 ( 4.406 0.324 0.825) 4.494 16.097 ( -0.157 -6.653 1.466) 6.815 16.272 ( 6.067 -1.884 -2.759) 6.926 16.320 ( -1.059 -6.193 -11.360) 12.982 17.015 ( 1.062 3.705 7.922) 8.809 17.362 ( -6.703 2.275 9.314) 11.699 17.574 ( 1.829 3.145 12.612) 13.127 ======================= Grid point 97 (22/131) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -7.795 -17.307 9.761) 21.344 1.906 ( -13.583 -17.163 0.762) 21.900 2.016 ( -19.006 -20.403 1.306) 27.915 2.418 ( -2.337 -6.685 -4.246) 8.257 3.309 ( -36.368 -18.245 3.316) 40.822 3.559 ( 15.278 6.785 -1.435) 16.779 3.603 ( 16.777 9.673 0.676) 19.378 4.747 ( 8.031 -0.459 -1.670) 8.216 4.974 ( -2.854 -0.683 1.357) 3.233 5.508 ( 5.560 8.760 -0.637) 10.395 5.574 ( 7.061 2.585 -0.855) 7.568 6.245 ( 5.286 3.046 0.344) 6.111 6.597 ( 2.805 4.489 3.011) 6.090 6.836 ( 7.800 -3.267 -5.544) 10.112 7.229 ( -4.283 3.424 -2.943) 6.223 7.511 ( -12.890 -4.837 4.886) 14.609 8.246 ( 4.850 8.733 -3.832) 10.700 8.635 ( 2.734 2.769 -6.961) 7.975 8.876 ( 3.028 5.863 -7.163) 9.739 9.135 ( 2.629 4.693 3.670) 6.512 9.645 ( -2.546 -5.042 0.810) 5.706 9.708 ( 11.320 -2.583 3.493) 12.125 9.952 ( 4.926 5.239 -7.919) 10.697 10.233 ( 1.477 6.187 6.159) 8.854 11.053 ( -3.888 2.531 -2.630) 5.333 11.199 ( -5.276 7.234 -3.027) 9.451 11.544 ( 3.334 -4.910 -3.264) 6.773 12.327 ( -7.000 0.137 -4.353) 8.244 12.636 ( -8.867 -8.005 -1.737) 12.072 13.206 ( -6.421 4.604 -4.860) 9.276 13.405 ( -2.172 10.207 -4.226) 11.259 13.619 ( 0.391 0.411 -12.477) 12.490 13.869 ( -0.874 3.550 -3.448) 5.025 14.248 ( 4.029 -3.873 1.937) 5.915 14.406 ( -5.935 -13.494 6.723) 16.202 14.999 ( 4.055 -3.684 -11.164) 12.436 15.362 ( 0.278 -0.584 0.040) 0.648 15.550 ( 3.453 -0.432 0.088) 3.481 15.743 ( 5.238 3.672 2.792) 6.980 16.027 ( -0.088 -5.736 2.019) 6.082 16.272 ( 2.732 -5.249 -8.417) 10.288 16.344 ( 4.234 -2.565 -3.503) 6.065 16.995 ( -4.823 -1.005 7.751) 9.184 17.300 ( -5.471 4.328 0.150) 6.978 17.678 ( 7.267 5.250 28.685) 30.053 ======================= Grid point 98 (23/131) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -9.924 -18.655 20.145) 29.195 1.366 ( -19.980 -25.069 1.556) 32.095 1.498 ( -20.337 -17.113 4.476) 26.953 2.318 ( -3.024 -4.913 -2.926) 6.468 2.404 ( -43.827 -17.417 11.792) 48.613 3.924 ( 16.785 8.509 -0.862) 18.839 4.002 ( 15.863 10.066 1.006) 18.814 4.814 ( 1.643 -2.336 1.152) 3.080 4.894 ( -4.781 -1.550 1.434) 5.226 5.606 ( -0.041 3.089 -5.188) 6.038 5.808 ( 12.458 5.175 -4.179) 14.123 6.405 ( 7.360 6.376 0.009) 9.738 6.662 ( 2.547 -0.608 -0.573) 2.681 6.923 ( 5.707 -5.060 -4.073) 8.647 7.191 ( -3.869 2.686 -2.800) 5.479 7.283 ( -9.318 -0.819 3.900) 10.134 8.354 ( -2.200 3.089 -9.707) 10.421 8.754 ( 7.918 3.528 -8.549) 12.175 9.006 ( 4.088 6.123 -5.896) 9.432 9.244 ( 3.552 5.192 3.992) 7.450 9.526 ( -4.671 -2.676 2.017) 5.749 9.831 ( 7.270 -9.400 -7.255) 13.923 10.047 ( 0.377 7.418 -0.944) 7.488 10.458 ( 13.899 7.502 6.471) 17.068 11.019 ( -1.962 2.820 -1.736) 3.849 11.157 ( -6.676 5.554 -2.033) 8.919 11.575 ( 5.636 -5.161 -2.587) 8.068 12.204 ( -7.611 1.323 -2.350) 8.075 12.365 ( -12.138 -8.232 -2.095) 14.814 13.097 ( -9.453 0.751 -4.767) 10.613 13.401 ( -6.697 1.457 -12.550) 14.300 13.647 ( 1.289 4.507 -7.753) 9.060 13.872 ( -1.017 -0.130 -1.230) 1.601 14.230 ( -0.551 -9.304 1.909) 9.513 14.305 ( 3.492 -0.042 0.918) 3.611 14.923 ( -7.656 -9.185 -21.725) 24.799 15.380 ( 2.185 0.892 -0.330) 2.383 15.576 ( 1.359 -0.794 0.291) 1.601 15.799 ( -2.474 -0.371 1.425) 2.879 16.035 ( 4.934 -0.044 2.210) 5.406 16.321 ( 7.357 -3.435 -1.559) 8.268 16.349 ( -0.653 -2.224 -5.652) 6.109 16.884 ( -5.016 -1.201 4.685) 6.968 17.196 ( -9.147 -0.390 -3.607) 9.840 17.997 ( 20.533 12.847 47.807) 53.593 ======================= Grid point 99 (24/131) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -14.197 -27.530 11.375) 32.998 0.954 ( -11.044 -14.107 28.206) 33.416 0.981 ( -19.038 -13.243 8.478) 24.692 1.481 ( -41.025 -11.579 26.663) 50.280 2.236 ( -2.359 -2.271 -1.057) 3.441 4.282 ( 14.528 7.066 -0.385) 16.160 4.349 ( 12.716 8.918 1.680) 15.622 4.745 ( -7.032 -2.111 0.930) 7.400 4.790 ( -4.088 -4.518 2.486) 6.580 5.602 ( -1.300 -0.025 -7.451) 7.564 6.056 ( 9.251 4.706 -8.174) 13.211 6.593 ( 4.472 7.083 -2.140) 8.646 6.674 ( 1.651 -3.860 -1.850) 4.588 6.939 ( 5.577 -8.694 -1.454) 10.430 7.143 ( -3.440 0.716 -1.191) 3.710 7.164 ( -7.170 3.836 0.539) 8.150 8.104 ( -29.218 -14.698 -27.914) 42.999 8.938 ( 5.304 5.886 -9.762) 12.573 9.100 ( 2.534 -2.090 -3.989) 5.168 9.311 ( 0.022 0.673 0.951) 1.166 9.495 ( -1.051 8.269 -0.797) 8.374 9.759 ( -3.472 -13.901 -14.906) 20.676 10.068 ( -3.270 1.486 2.803) 4.556 10.818 ( 18.477 4.135 2.948) 19.162 11.085 ( -6.596 4.640 -2.549) 8.458 11.090 ( 6.409 8.675 6.711) 12.703 11.629 ( 7.036 -7.044 2.063) 10.167 12.088 ( -11.412 -0.654 -3.615) 11.989 12.098 ( -6.514 0.589 -1.766) 6.775 12.870 ( -17.929 -9.024 -23.700) 31.058 13.158 ( -17.056 -10.141 -11.045) 22.709 13.728 ( -1.181 8.924 -2.622) 9.376 13.847 ( 2.451 -4.688 -1.197) 5.424 14.129 ( -4.127 -10.892 -4.853) 12.619 14.355 ( 0.183 2.448 0.500) 2.505 14.531 ( -17.995 -12.003 -10.961) 24.249 15.460 ( 4.588 2.332 0.616) 5.183 15.601 ( 1.430 0.591 2.565) 2.995 15.707 ( -4.753 -2.810 1.745) 5.791 16.117 ( 2.232 0.819 1.232) 2.678 16.266 ( -3.329 -2.491 -6.297) 7.546 16.480 ( 9.705 2.459 -0.903) 10.053 16.821 ( -1.342 -0.572 2.252) 2.683 16.991 ( -11.067 -3.850 -2.630) 12.009 18.754 ( 46.633 27.241 55.309) 77.303 ======================= Grid point 101 (25/131) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 14.118 22.101 3.275) 26.429 1.127 ( 7.347 13.035 18.482) 23.780 1.294 ( 9.690 20.457 2.806) 22.810 2.226 ( 22.194 39.082 12.819) 46.737 2.282 ( 3.476 4.331 -1.095) 5.661 4.021 ( -8.908 -16.512 -0.890) 18.783 4.095 ( -10.348 -15.596 0.896) 18.738 4.824 ( 3.507 -0.815 1.967) 4.103 4.850 ( 0.210 5.494 0.825) 5.560 5.633 ( 0.609 1.059 -5.121) 5.265 5.863 ( -6.937 -11.606 -6.118) 14.841 6.447 ( -7.383 -10.208 1.044) 12.641 6.624 ( -3.444 0.010 -3.730) 5.077 6.861 ( 0.413 0.583 -4.202) 4.262 7.208 ( 1.498 3.154 -1.039) 3.643 7.306 ( 5.339 5.772 2.217) 8.169 8.435 ( 8.486 6.710 -9.089) 14.130 8.844 ( -0.807 -10.727 -5.208) 11.952 9.085 ( 0.746 -2.575 -3.229) 4.197 9.309 ( 0.099 -1.089 1.274) 1.679 9.441 ( -10.962 -1.723 5.051) 12.192 9.727 ( 2.851 -3.914 -18.269) 18.900 10.180 ( 6.171 1.659 3.736) 7.402 10.397 ( -20.666 -12.732 1.925) 24.349 11.023 ( -1.878 -0.155 -1.139) 2.202 11.202 ( -0.284 5.327 2.030) 5.707 11.593 ( 5.963 -1.620 -2.680) 6.735 12.209 ( 0.175 11.445 -2.160) 11.648 12.323 ( 11.005 5.012 0.415) 12.100 13.116 ( 7.314 11.130 -2.056) 13.476 13.390 ( 4.820 9.015 -15.455) 18.530 13.766 ( -2.851 0.712 -3.474) 4.550 13.822 ( 2.336 -0.978 -1.726) 3.065 14.113 ( 0.821 -0.915 -5.577) 5.711 14.328 ( -0.922 -4.157 0.932) 4.358 14.791 ( 6.309 13.645 -25.218) 29.359 15.389 ( -2.182 -3.173 -0.557) 3.891 15.538 ( -3.998 -2.163 1.943) 4.943 15.788 ( 2.352 3.965 1.166) 4.755 16.036 ( -3.968 -5.786 1.909) 7.271 16.265 ( -3.002 -4.049 -2.602) 5.672 16.373 ( 2.175 -2.419 -6.388) 7.168 16.849 ( -0.024 4.126 3.000) 5.102 17.200 ( 7.026 10.102 -1.351) 12.379 18.154 ( -14.745 -25.752 52.497) 60.303 ======================= Grid point 102 (26/131) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 12.111 9.561 6.285) 16.661 1.565 ( 25.747 12.765 -3.544) 28.955 1.666 ( 12.767 13.839 -2.210) 18.958 2.356 ( 4.824 -0.472 -4.568) 6.660 3.049 ( 25.638 34.422 5.651) 43.291 3.659 ( -12.921 -16.452 -1.825) 20.999 3.729 ( -12.928 -14.949 -0.208) 19.765 4.829 ( -2.278 -1.630 -0.289) 2.816 4.898 ( 2.658 -0.247 0.551) 2.726 5.560 ( -6.816 -7.032 -0.758) 9.823 5.687 ( -3.297 -2.537 -2.703) 4.961 6.220 ( -5.632 -9.865 0.687) 11.380 6.558 ( -5.226 3.290 -2.708) 6.743 6.886 ( 0.383 -0.543 -4.949) 4.993 7.256 ( 1.585 1.720 0.547) 2.402 7.483 ( 7.273 7.932 4.609) 11.707 8.531 ( -3.019 1.890 0.016) 3.561 8.735 ( 0.098 -8.553 -2.979) 9.057 9.041 ( 1.015 -7.974 1.039) 8.106 9.204 ( -13.041 -0.560 5.799) 14.283 9.320 ( 2.257 0.360 -3.866) 4.491 9.711 ( 3.891 -10.137 -13.090) 17.007 9.920 ( -21.815 -4.069 -2.420) 22.322 10.302 ( 4.426 2.745 6.020) 7.961 11.042 ( 2.752 1.764 -1.850) 3.756 11.228 ( -3.964 8.114 -0.098) 9.031 11.690 ( 4.402 -0.275 -2.140) 4.903 12.328 ( 1.073 10.172 -2.036) 10.429 12.580 ( 11.809 5.275 -0.249) 12.936 13.328 ( 3.887 8.482 2.042) 9.551 13.431 ( -5.588 3.140 -5.622) 8.526 13.781 ( -2.917 4.693 -5.164) 7.563 13.812 ( 0.526 1.392 -4.645) 4.878 14.167 ( 9.485 -3.808 -1.289) 10.302 14.257 ( -1.081 -5.739 0.717) 5.884 14.942 ( 3.972 -2.465 -20.394) 20.923 15.343 ( -0.678 -0.209 -3.979) 4.042 15.442 ( -3.659 -2.690 1.600) 4.816 15.762 ( -6.131 -6.287 2.852) 9.233 15.970 ( 2.969 -0.041 1.309) 3.245 16.178 ( -0.887 -4.727 -4.906) 6.870 16.401 ( 2.351 -3.271 -8.126) 9.069 16.903 ( 0.019 6.375 4.542) 7.828 17.397 ( 5.142 6.824 0.550) 8.562 17.769 ( -9.563 -10.240 37.632) 40.155 ======================= Grid point 103 (27/131) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 10.491 3.964 -2.838) 11.568 1.915 ( 8.204 4.909 -8.119) 12.542 2.189 ( 27.879 10.464 -2.693) 29.900 2.423 ( 5.423 -4.530 -5.820) 9.154 3.238 ( -16.061 -17.165 -2.774) 23.670 3.367 ( -8.232 -12.364 -1.694) 14.950 3.802 ( 22.218 25.250 -1.460) 33.665 4.700 ( -9.852 -3.654 -3.362) 11.033 4.937 ( 3.638 -3.045 -0.308) 4.754 5.394 ( -4.810 -2.572 2.988) 6.219 5.591 ( -5.290 -1.651 2.728) 6.177 6.077 ( -0.074 -8.910 0.046) 8.911 6.525 ( -4.495 7.485 0.157) 8.732 6.844 ( -4.354 0.541 -4.390) 6.207 7.299 ( 2.542 -1.398 1.615) 3.321 7.724 ( 8.848 11.179 5.678) 15.346 8.378 ( -13.036 -0.958 4.947) 13.976 8.677 ( -0.760 -2.637 -1.906) 3.341 8.969 ( -8.912 -4.244 1.660) 10.009 9.001 ( 4.186 -12.016 5.860) 14.009 9.403 ( 4.797 1.363 -9.488) 10.718 9.609 ( -11.718 4.266 -1.647) 12.578 9.685 ( 3.871 -8.528 -7.621) 12.074 10.386 ( 0.290 4.881 4.496) 6.642 11.134 ( 3.367 5.091 -2.463) 6.582 11.236 ( -4.853 9.114 -2.015) 10.520 11.707 ( -1.936 -1.284 0.455) 2.367 12.443 ( 1.427 7.479 -3.234) 8.273 12.808 ( 7.327 4.551 -0.504) 8.640 13.266 ( -4.324 -6.581 -2.290) 8.200 13.489 ( -2.398 13.563 3.257) 14.153 13.726 ( -5.929 4.329 -5.899) 9.418 13.857 ( -0.404 3.338 -8.304) 8.959 14.183 ( -0.163 -6.157 -0.067) 6.159 14.385 ( 17.138 -1.704 1.112) 17.258 14.886 ( -1.859 -11.484 -9.921) 15.290 15.346 ( 0.428 -1.218 -4.858) 5.027 15.384 ( 0.435 -1.603 2.599) 3.084 15.574 ( -4.386 -8.126 2.237) 9.502 16.048 ( 3.768 0.547 0.674) 3.867 16.138 ( 0.576 -2.237 -7.889) 8.220 16.372 ( -0.416 -5.687 -9.501) 11.081 16.975 ( 0.511 6.823 6.914) 9.728 17.513 ( 2.327 3.490 3.900) 5.728 17.576 ( -5.585 -3.522 23.920) 24.814 ======================= Grid point 104 (28/131) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.459 -2.459 -8.733) 9.084 2.026 ( 2.587 -1.347 -4.907) 5.709 2.435 ( 2.554 -7.739 -8.249) 11.596 2.727 ( -3.008 -10.296 -4.408) 11.597 2.783 ( 10.087 0.738 -1.782) 10.270 3.215 ( 3.292 -6.833 -2.236) 7.908 4.323 ( 8.905 9.914 -5.755) 14.516 4.400 ( -14.938 -1.786 -3.950) 15.554 4.965 ( 3.151 -3.170 -0.579) 4.507 5.348 ( -0.963 2.602 3.795) 4.701 5.525 ( -1.062 2.016 5.583) 6.030 6.026 ( 4.682 -8.975 1.520) 10.236 6.565 ( -0.729 10.250 2.329) 10.536 6.775 ( -4.616 1.872 -4.252) 6.549 7.306 ( 0.779 -2.602 1.619) 3.162 7.929 ( -3.663 6.286 3.007) 7.872 8.173 ( -4.362 4.076 8.270) 10.199 8.632 ( -3.650 0.026 0.669) 3.710 8.818 ( -1.951 -0.905 -4.651) 5.125 9.000 ( 7.518 -9.439 2.744) 12.375 9.434 ( 1.940 -2.809 -2.463) 4.209 9.645 ( 5.256 -1.343 -2.807) 6.108 9.670 ( 2.740 1.947 -3.348) 4.744 10.392 ( -4.957 4.050 1.351) 6.542 11.236 ( -5.307 9.199 -1.356) 10.706 11.256 ( 1.751 7.959 -2.806) 8.619 11.608 ( -5.466 -3.689 1.147) 6.693 12.509 ( -2.068 5.935 -4.400) 7.672 12.855 ( -4.075 -1.965 -1.446) 4.750 13.220 ( 5.166 -2.490 -2.031) 6.084 13.553 ( -5.995 14.319 3.886) 16.003 13.679 ( -4.213 4.021 -6.224) 8.524 13.876 ( -0.058 1.921 -6.664) 6.936 14.136 ( 1.405 -4.809 -2.375) 5.545 14.660 ( 2.711 -10.079 -5.520) 11.807 14.670 ( 5.885 -7.670 0.650) 9.690 15.354 ( 1.959 -1.187 0.711) 2.399 15.382 ( 1.216 -1.232 2.293) 2.873 15.508 ( 4.924 -5.682 -1.159) 7.608 16.065 ( -0.754 -1.466 -2.790) 3.241 16.180 ( 4.201 0.851 -5.447) 6.931 16.286 ( -1.967 -6.264 -11.633) 13.358 17.048 ( 0.426 4.947 9.719) 10.914 17.471 ( -4.387 0.226 13.739) 14.424 17.569 ( 1.380 1.342 8.868) 9.074 ======================= Grid point 106 (29/131) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -9.383 -6.452 -3.932) 12.048 1.954 ( -7.083 -8.242 -4.650) 11.821 2.185 ( -20.940 -15.779 -2.535) 26.342 2.391 ( -1.674 -6.343 -9.269) 11.356 3.269 ( 23.067 4.690 -1.766) 23.605 3.353 ( 15.090 0.976 -1.577) 15.203 3.830 ( -33.516 -7.785 -0.832) 34.419 4.632 ( 7.884 6.100 -3.919) 10.711 4.975 ( 1.110 -2.806 -0.406) 3.045 5.415 ( 6.164 2.252 1.578) 6.750 5.581 ( 1.491 5.516 3.106) 6.503 6.072 ( 9.492 -6.004 3.012) 11.628 6.696 ( -0.717 12.061 3.899) 12.696 6.719 ( 0.827 -2.232 -6.822) 7.226 7.284 ( -0.708 -1.476 -0.260) 1.658 7.712 ( -14.793 -2.691 4.681) 15.748 8.306 ( 2.098 12.708 4.050) 13.502 8.608 ( 1.705 0.342 -2.865) 3.352 8.859 ( 4.810 1.317 -3.770) 6.251 9.086 ( 6.756 1.210 -1.768) 7.088 9.470 ( 8.286 -8.909 3.644) 12.701 9.601 ( -0.399 -4.841 -0.576) 4.891 9.874 ( 10.087 5.505 -3.169) 11.920 10.313 ( -6.557 1.992 -0.371) 6.863 11.177 ( -6.991 1.362 4.315) 8.327 11.353 ( -2.814 8.262 -1.493) 8.854 11.508 ( -1.705 0.670 -5.022) 5.345 12.489 ( -6.937 6.246 -4.273) 10.266 12.698 ( -7.350 -7.037 -1.714) 10.319 13.308 ( 2.667 1.978 -1.679) 3.721 13.588 ( -5.927 14.393 3.092) 15.870 13.645 ( -3.381 0.957 -7.493) 8.276 13.893 ( 0.406 0.244 -4.045) 4.073 14.145 ( 3.770 -2.104 -3.644) 5.650 14.368 ( -6.906 -15.978 2.478) 17.582 14.858 ( 8.910 -2.418 -10.395) 13.903 15.350 ( 0.225 -0.737 0.324) 0.836 15.451 ( 5.534 -2.009 0.016) 5.887 15.603 ( 10.441 -2.117 2.433) 10.928 16.018 ( -2.792 -1.461 -2.032) 3.750 16.201 ( -0.563 -5.088 -11.997) 13.043 16.266 ( 4.107 1.321 -5.169) 6.733 17.058 ( -2.992 0.265 9.608) 10.066 17.426 ( -3.531 3.720 5.856) 7.785 17.612 ( 3.557 0.831 19.700) 20.036 ======================= Grid point 107 (30/131) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -14.496 -4.821 6.363) 16.549 1.550 ( -23.164 -14.066 -4.059) 27.402 1.718 ( -18.876 -8.664 -0.341) 20.772 2.328 ( -1.850 -1.725 -6.052) 6.559 3.062 ( -42.905 -6.247 5.977) 43.767 3.659 ( 19.814 2.798 -1.723) 20.084 3.738 ( 20.456 3.071 0.143) 20.686 4.772 ( 3.378 3.074 -0.801) 4.637 4.939 ( -2.014 -2.857 0.344) 3.512 5.592 ( 10.224 -0.349 -0.886) 10.268 5.656 ( 2.778 4.620 -2.734) 6.045 6.230 ( 12.527 -1.662 2.814) 12.946 6.653 ( -1.560 -2.180 -2.860) 3.920 6.840 ( 2.697 3.564 -3.370) 5.597 7.254 ( -1.858 -0.132 -1.342) 2.296 7.458 ( -11.549 -0.342 4.538) 12.414 8.451 ( 0.047 10.162 -0.278) 10.165 8.669 ( 4.863 1.305 -7.056) 8.668 8.985 ( 5.964 3.186 -2.735) 7.294 9.224 ( 4.253 5.517 -0.001) 6.966 9.463 ( 3.845 -12.727 6.606) 14.846 9.630 ( 6.471 -0.907 -8.425) 10.662 10.102 ( 9.257 4.300 -1.110) 10.267 10.249 ( 1.248 -2.436 2.011) 3.396 11.064 ( -3.895 -2.292 3.338) 5.619 11.308 ( -5.401 0.344 0.669) 5.453 11.550 ( -0.970 7.458 -6.525) 9.957 12.407 ( -9.737 6.391 -2.198) 11.853 12.473 ( -9.540 -7.221 -1.622) 12.074 13.297 ( -7.993 3.535 0.430) 8.751 13.541 ( -6.517 -2.034 -10.531) 12.550 13.672 ( 0.595 9.639 0.495) 9.670 13.879 ( -1.084 -2.616 -2.705) 3.917 14.157 ( -1.756 -8.970 -1.219) 9.222 14.225 ( 5.430 0.932 -1.105) 5.619 14.926 ( 0.957 -2.533 -18.340) 18.539 15.354 ( 0.912 -0.390 -1.864) 2.111 15.501 ( 4.018 -3.614 -0.227) 5.410 15.784 ( 8.176 0.298 2.231) 8.480 15.957 ( -0.764 -1.284 0.906) 1.748 16.186 ( 3.644 -2.540 -7.340) 8.579 16.338 ( 1.872 1.920 -6.191) 6.747 16.961 ( -5.754 -2.401 5.939) 8.611 17.366 ( -7.874 2.178 -0.226) 8.173 17.769 ( 13.269 2.977 37.256) 39.660 ======================= Grid point 112 (31/131) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.673 10.384 -7.841) 14.623 1.844 ( 8.098 12.566 -9.438) 17.679 2.003 ( 9.335 19.918 -2.688) 22.160 2.333 ( 0.323 -1.603 -9.060) 9.207 3.302 ( -11.546 -17.818 -3.015) 21.445 3.371 ( -9.190 -17.097 -1.418) 19.462 3.747 ( 16.832 30.563 -0.433) 34.894 4.747 ( 1.345 -5.567 -2.256) 6.155 4.901 ( -4.007 -0.581 -2.035) 4.531 5.434 ( -2.940 -4.015 3.030) 5.827 5.641 ( -1.831 -2.380 1.261) 3.257 6.010 ( -4.920 -10.194 3.154) 11.750 6.653 ( -2.714 4.621 -4.533) 7.019 6.870 ( 3.428 -1.042 -0.528) 3.622 7.254 ( -0.689 -1.332 1.819) 2.357 7.691 ( 8.145 12.838 5.640) 16.216 8.529 ( 1.440 -2.745 4.834) 5.742 8.607 ( 1.272 -2.933 -2.008) 3.775 8.830 ( -5.489 -11.437 3.409) 13.136 9.181 ( -8.593 -2.529 -2.305) 9.249 9.255 ( -0.899 -7.991 -0.346) 8.049 9.586 ( 1.419 -0.164 -5.627) 5.805 9.856 ( -11.225 -3.532 -0.752) 11.792 10.365 ( 6.053 4.002 -0.584) 7.280 11.149 ( 2.440 8.526 3.984) 9.722 11.369 ( -1.116 5.555 0.234) 5.670 11.651 ( 6.000 -3.748 -5.641) 9.048 12.549 ( -1.918 11.072 -1.484) 11.334 12.659 ( 12.435 2.548 -1.838) 12.825 13.304 ( -5.750 -5.842 -0.685) 8.226 13.622 ( 1.218 9.277 0.746) 9.387 13.845 ( -2.427 1.143 0.153) 2.687 13.864 ( 8.543 3.541 1.849) 9.431 14.127 ( -0.335 -0.989 -6.878) 6.957 14.163 ( 0.955 -0.440 -3.895) 4.035 14.831 ( -4.042 -8.016 -13.697) 16.377 15.341 ( -0.356 -0.194 -3.028) 3.055 15.392 ( -4.067 -2.288 0.032) 4.667 15.579 ( -6.428 -10.015 2.975) 12.267 16.014 ( 2.641 3.161 -1.858) 4.518 16.133 ( -1.533 0.196 -10.437) 10.551 16.314 ( 0.594 -4.966 -7.728) 9.206 17.033 ( 0.520 5.723 8.417) 10.192 17.489 ( 3.622 1.974 3.623) 5.490 17.613 ( -3.611 -4.783 24.977) 25.686 ======================= Grid point 113 (32/131) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 2.625 4.901 -14.051) 15.111 2.031 ( 1.886 6.530 -13.722) 15.313 2.302 ( 2.737 -5.328 -12.558) 13.913 2.444 ( 18.449 12.644 -2.583) 22.515 2.903 ( -15.831 -14.316 -4.061) 21.727 3.087 ( -1.674 -14.813 -2.243) 15.075 4.270 ( 12.147 19.551 -4.988) 23.551 4.643 ( -10.828 -1.600 -4.324) 11.768 4.848 ( 3.390 -5.987 -2.976) 7.496 5.423 ( -0.609 5.410 5.880) 8.014 5.559 ( -3.563 -1.073 4.704) 5.998 5.862 ( 1.013 -11.896 3.386) 12.410 6.659 ( -1.382 4.037 -5.427) 6.904 6.907 ( -2.942 6.279 1.899) 7.189 7.223 ( 2.009 -5.827 4.189) 7.452 7.989 ( 8.458 14.999 5.697) 18.137 8.358 ( -14.403 -0.758 7.012) 16.037 8.658 ( 0.296 -8.363 1.655) 8.530 8.722 ( 10.241 -3.904 5.095) 12.086 8.934 ( -12.729 -0.776 -0.846) 12.781 9.222 ( 7.391 -14.969 -5.893) 17.704 9.651 ( 2.569 3.383 -3.346) 5.407 9.705 ( -5.279 2.336 0.349) 5.783 10.466 ( 0.694 2.968 -2.388) 3.872 11.306 ( 3.389 10.697 1.684) 11.347 11.389 ( -2.973 5.642 0.593) 6.405 11.644 ( -1.910 -4.774 -3.541) 6.243 12.623 ( -1.785 9.804 -2.279) 10.223 12.863 ( 5.924 0.989 -0.857) 6.067 13.112 ( -3.259 -8.575 -0.494) 9.186 13.729 ( 0.855 7.116 6.611) 9.750 13.788 ( -3.865 1.982 -1.570) 4.618 13.959 ( -5.055 8.952 1.229) 10.354 14.092 ( -0.196 -2.085 -9.123) 9.360 14.346 ( 17.427 -1.896 -5.649) 18.417 14.620 ( -6.841 -14.584 -8.171) 18.063 15.318 ( -0.306 -0.972 -2.258) 2.477 15.358 ( 1.158 -0.986 1.283) 1.990 15.414 ( -2.004 -6.787 0.011) 7.076 16.080 ( 0.365 2.452 -4.311) 4.973 16.134 ( 1.745 1.035 -9.162) 9.384 16.255 ( -1.146 -5.542 -10.250) 11.708 17.091 ( 0.209 4.075 11.357) 12.068 17.523 ( -1.414 -0.791 14.324) 14.415 17.553 ( 0.543 0.053 8.149) 8.167 ======================= Grid point 114 (33/131) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -5.933 0.486 -14.950) 16.091 2.024 ( -6.309 0.918 -11.634) 13.266 2.304 ( 2.646 -3.864 -12.193) 13.061 2.443 ( -19.681 -9.822 -5.002) 22.558 2.918 ( 21.111 6.090 -3.081) 22.187 3.078 ( 12.982 -6.043 -2.360) 14.512 4.289 ( -23.108 -2.498 -4.890) 23.751 4.599 ( 5.083 10.135 -4.268) 12.115 4.874 ( 5.358 -5.764 -3.077) 8.450 5.416 ( -3.744 3.060 5.184) 7.089 5.583 ( 2.853 2.590 5.041) 6.345 5.846 ( 9.033 -6.703 3.992) 11.936 6.686 ( 0.776 1.071 -7.412) 7.529 6.883 ( -6.873 7.311 4.762) 11.107 7.224 ( 3.937 -4.438 3.149) 6.717 7.981 ( -17.303 0.560 5.379) 18.128 8.369 ( 7.026 13.375 7.902) 17.050 8.608 ( 1.234 -5.192 1.283) 5.488 8.714 ( 0.854 -6.699 4.542) 8.138 8.979 ( 9.232 8.486 -6.375) 14.067 9.205 ( 8.128 -14.852 -0.526) 16.939 9.632 ( -4.019 1.254 -1.908) 4.622 9.765 ( 5.331 1.089 0.247) 5.447 10.448 ( -4.984 1.959 -3.538) 6.418 11.325 ( -8.315 1.457 3.511) 9.143 11.442 ( -1.201 2.688 3.358) 4.466 11.567 ( -0.434 3.319 -7.613) 8.316 12.670 ( -4.063 8.750 -2.971) 10.094 12.770 ( -8.778 -4.899 -0.759) 10.081 13.162 ( 10.832 -3.708 -0.567) 11.463 13.729 ( -3.905 1.498 0.681) 4.238 13.818 ( 0.602 5.088 7.019) 8.690 13.930 ( -7.833 8.618 0.521) 11.658 14.090 ( 1.089 0.136 -11.501) 11.553 14.332 ( -7.168 -15.169 -4.593) 17.395 14.626 ( 15.333 -1.759 -8.705) 17.719 15.340 ( 1.120 0.016 0.744) 1.345 15.349 ( 2.099 -2.473 -1.885) 3.752 15.417 ( 6.893 -2.033 0.808) 7.232 16.069 ( -2.901 1.197 -5.007) 5.909 16.173 ( -1.149 -4.226 -10.698) 11.560 16.215 ( 3.937 1.967 -8.480) 9.554 17.106 ( -1.846 0.772 12.117) 12.281 17.496 ( -1.535 2.018 10.104) 10.417 17.570 ( 1.479 -0.927 11.677) 11.807 ======================= Grid point 118 (34/131) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -13.123 23.632 13.082) 30.031 1.353 ( -12.850 23.495 9.265) 28.337 1.437 ( -13.922 23.642 14.250) 30.916 2.029 ( -23.578 42.061 13.197) 49.992 2.331 ( -4.522 5.771 -0.687) 7.364 4.047 ( 8.568 -15.650 -0.826) 17.861 4.073 ( 9.923 -15.753 1.082) 18.649 4.796 ( 0.170 4.121 1.530) 4.399 4.905 ( -5.085 3.134 3.193) 6.773 5.597 ( 0.104 -1.717 -7.073) 7.280 5.890 ( 6.549 -10.031 -5.331) 13.112 6.382 ( 8.984 -10.167 -2.263) 13.755 6.696 ( 2.404 -0.165 -1.085) 2.642 7.061 ( 5.464 2.350 -1.652) 6.173 7.123 ( -9.387 -1.334 2.237) 9.742 7.167 ( -0.950 5.193 -3.441) 6.301 8.364 ( -6.267 2.414 -11.474) 13.295 8.852 ( -0.477 -6.604 -12.139) 13.827 9.066 ( 0.118 -10.182 1.968) 10.371 9.250 ( 3.255 -7.793 -0.254) 8.449 9.406 ( 4.249 8.181 2.313) 9.504 9.976 ( -4.792 3.536 -7.957) 9.939 10.042 ( -0.456 -4.609 -8.280) 9.487 10.393 ( 24.101 -14.890 9.396) 29.847 11.011 ( -3.780 1.309 -6.630) 7.743 11.049 ( 3.188 -2.792 1.402) 4.464 11.699 ( -0.350 -1.040 0.556) 1.230 12.176 ( -6.212 7.684 -5.733) 11.424 12.258 ( -7.634 10.263 -0.798) 12.816 13.014 ( -3.893 4.955 -7.075) 9.474 13.335 ( -2.019 2.717 -12.641) 13.087 13.628 ( 0.130 -0.777 -10.146) 10.177 13.847 ( 3.170 -2.125 0.130) 3.819 14.319 ( -4.477 0.889 1.428) 4.783 14.326 ( -0.680 2.718 2.300) 3.625 14.880 ( -9.691 18.389 -23.919) 31.689 15.397 ( 1.933 -2.984 0.656) 3.615 15.560 ( 3.267 -0.491 1.586) 3.665 15.780 ( -1.759 2.580 2.145) 3.788 16.078 ( 1.238 -1.789 2.264) 3.140 16.360 ( -3.566 5.701 -5.000) 8.379 16.433 ( 0.180 -3.423 0.751) 3.509 16.818 ( 1.740 1.753 3.050) 3.924 17.121 ( -5.325 6.184 -4.904) 9.521 18.136 ( 15.376 -26.770 51.977) 60.454 ======================= Grid point 122 (35/131) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 -0.000 -18.078) 18.078 2.174 ( -3.309 -6.617 -15.706) 17.361 2.174 ( 3.309 6.617 -15.706) 17.361 2.697 ( -4.390 -8.780 -4.312) 10.721 2.697 ( 4.390 8.780 -4.312) 10.721 2.859 ( 0.000 0.000 -0.764) 0.764 4.497 ( 0.000 0.000 -5.413) 5.413 4.694 ( -3.820 -7.641 -4.606) 9.705 4.694 ( 3.820 7.641 -4.606) 9.705 5.556 ( -0.536 -1.073 5.574) 5.701 5.556 ( 0.536 1.073 5.574) 5.701 5.657 ( 0.000 -0.000 5.371) 5.371 6.689 ( -0.000 -0.000 -8.505) 8.505 7.073 ( -3.942 -7.884 5.262) 10.266 7.073 ( 3.942 7.884 5.262) 10.266 8.306 ( -6.252 -12.504 5.196) 14.914 8.306 ( 6.252 12.504 5.196) 14.914 8.386 ( -0.000 0.000 8.844) 8.844 8.825 ( -0.000 -0.000 10.185) 10.185 8.957 ( -2.624 -5.248 -7.143) 9.244 8.957 ( 2.624 5.248 -7.143) 9.244 9.707 ( -1.011 -2.021 -0.213) 2.270 9.707 ( 1.011 2.021 -0.213) 2.270 10.500 ( 0.000 -0.000 -4.720) 4.720 11.456 ( -0.503 -1.007 3.723) 3.889 11.456 ( 0.503 1.007 3.723) 3.889 11.557 ( 0.000 0.000 -8.372) 8.372 12.760 ( -0.000 -0.000 -2.344) 2.344 12.928 ( -4.189 -8.379 0.025) 9.368 12.928 ( 4.189 8.379 0.025) 9.368 13.792 ( -0.806 -1.611 2.784) 3.316 13.792 ( 0.806 1.611 2.784) 3.316 14.049 ( -0.000 -0.000 3.901) 3.901 14.200 ( 0.000 0.000 -2.673) 2.673 14.347 ( -3.260 -6.521 -11.256) 13.411 14.347 ( 3.260 6.521 -11.256) 13.411 15.323 ( -0.705 -1.409 -1.549) 2.209 15.323 ( 0.705 1.409 -1.549) 2.209 15.350 ( 0.000 0.000 1.147) 1.147 16.136 ( -1.224 -2.447 -5.733) 6.353 16.136 ( 1.224 2.447 -5.733) 6.353 16.180 ( -0.000 -0.000 -14.323) 14.323 17.130 ( -0.000 -0.000 13.536) 13.536 17.535 ( -0.712 -1.424 9.964) 10.090 17.535 ( 0.712 1.424 9.964) 10.090 ======================= Grid point 128 (36/131) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -8.511 22.248 12.922) 27.100 1.822 ( -12.570 21.866 4.471) 25.615 1.915 ( -16.003 21.088 9.715) 28.199 2.492 ( -5.737 7.462 0.678) 9.437 2.938 ( -31.761 35.770 3.945) 47.998 3.704 ( 12.721 -13.402 -0.785) 18.495 3.722 ( 12.215 -14.978 0.568) 19.336 4.810 ( 1.683 1.475 1.936) 2.959 5.002 ( -2.369 2.112 3.195) 4.503 5.549 ( 0.503 -7.446 -4.060) 8.496 5.664 ( 9.403 -5.333 -2.835) 11.175 6.119 ( 6.789 -12.349 -2.052) 14.241 6.617 ( 6.763 2.859 -2.841) 7.873 6.961 ( 6.368 -1.452 -0.601) 6.559 7.213 ( -4.237 0.184 -5.138) 6.662 7.350 ( -10.858 4.048 3.325) 12.056 8.381 ( 1.816 -5.521 -3.375) 6.721 8.797 ( 0.327 -6.481 -10.614) 12.440 8.942 ( 0.568 -10.891 6.218) 12.554 9.119 ( -0.456 -9.001 -5.788) 10.711 9.427 ( 5.076 9.046 6.405) 12.190 9.703 ( 21.692 -12.808 -8.035) 26.441 10.045 ( 0.329 -2.152 -6.573) 6.924 10.155 ( -3.687 0.574 3.967) 5.446 10.952 ( 2.428 -3.757 -1.357) 4.675 11.112 ( -3.879 2.442 -7.752) 9.005 11.673 ( 1.132 -1.964 -2.343) 3.260 12.368 ( -4.470 10.482 -4.735) 12.340 12.515 ( -10.905 5.361 1.030) 12.195 13.113 ( -4.312 -0.253 -8.402) 9.447 13.322 ( -0.955 -5.286 -10.937) 12.185 13.619 ( 2.474 -3.084 -6.515) 7.621 13.752 ( 2.228 -3.077 -6.873) 7.853 14.399 ( -0.627 5.805 7.310) 9.355 14.405 ( -4.618 5.940 5.948) 9.591 15.123 ( -3.604 5.411 -14.922) 16.276 15.357 ( 0.431 0.662 -1.291) 1.514 15.490 ( 4.156 0.064 2.007) 4.616 15.754 ( 3.689 -4.373 4.746) 7.433 16.102 ( -2.018 5.540 2.095) 6.257 16.386 ( 4.255 2.614 3.013) 5.833 16.474 ( -2.934 2.550 -6.458) 7.537 16.809 ( 0.928 1.975 3.042) 3.744 17.264 ( -7.120 -0.108 -3.282) 7.841 17.735 ( 9.465 -11.684 35.904) 38.926 ======================= Grid point 129 (37/131) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -15.598 18.071 13.443) 27.397 1.834 ( -10.193 23.984 7.331) 27.072 1.922 ( -10.406 24.664 7.153) 27.708 2.454 ( -5.983 6.021 -0.378) 8.496 2.950 ( -14.075 45.863 4.540) 48.188 3.701 ( 5.165 -17.336 -0.712) 18.103 3.732 ( 7.489 -17.992 0.797) 19.505 4.857 ( -0.188 0.543 1.730) 1.823 4.942 ( -3.796 1.433 2.385) 4.707 5.501 ( 3.540 -7.812 -3.772) 9.369 5.684 ( 1.861 -9.961 -2.510) 10.440 6.186 ( 11.466 -8.496 -2.048) 14.417 6.671 ( -1.951 -2.249 1.448) 3.310 7.025 ( -5.726 -4.258 -8.123) 10.812 7.100 ( 4.412 -0.491 1.113) 4.577 7.357 ( -0.078 12.182 2.880) 12.518 8.314 ( -2.254 -6.870 -7.953) 10.748 8.673 ( 0.608 -9.816 -6.955) 12.045 8.887 ( 1.537 -6.097 -7.574) 9.843 9.105 ( 6.272 -6.628 5.501) 10.655 9.580 ( 2.252 7.870 3.085) 8.748 9.876 ( 3.908 -10.476 -6.531) 12.948 9.969 ( 2.724 -6.866 -4.316) 8.555 10.169 ( 5.928 -3.347 7.708) 10.284 11.029 ( 3.056 0.535 -6.304) 7.026 11.048 ( 0.142 1.961 -3.197) 3.753 11.657 ( -2.499 -2.566 -4.943) 6.104 12.291 ( -7.252 5.515 -3.282) 9.685 12.543 ( -2.093 14.335 -1.112) 14.530 13.096 ( 0.942 3.058 -9.129) 9.673 13.302 ( 5.327 -4.486 -9.272) 11.596 13.623 ( 0.229 -0.585 -12.231) 12.247 13.802 ( 5.593 -2.438 -1.892) 6.388 14.346 ( -5.630 1.660 4.758) 7.556 14.426 ( -4.861 8.262 7.920) 12.434 15.083 ( -5.091 2.608 -12.576) 13.815 15.367 ( 0.089 0.028 -0.125) 0.156 15.558 ( 2.800 -0.231 0.105) 2.811 15.759 ( 2.530 -4.761 4.132) 6.793 16.088 ( -4.480 3.162 2.310) 5.950 16.372 ( -3.788 -1.847 -3.856) 5.712 16.445 ( -4.900 1.302 -1.108) 5.190 16.899 ( 3.070 6.280 6.787) 9.743 17.204 ( 0.542 1.402 -4.912) 5.137 17.740 ( 5.452 -13.083 34.862) 37.633 ======================= Grid point 138 (38/131) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -2.929 18.558 8.418) 20.587 2.175 ( -4.559 18.126 5.283) 19.423 2.408 ( -18.307 15.299 5.455) 24.474 2.655 ( -3.561 7.656 1.668) 8.607 3.314 ( 16.485 -13.214 0.147) 21.128 3.409 ( 8.043 -9.515 0.168) 12.461 3.791 ( -26.692 29.376 -0.745) 39.698 4.740 ( 8.675 -0.088 0.945) 8.727 5.023 ( 0.644 -0.157 1.993) 2.101 5.417 ( 5.339 -7.093 1.510) 9.005 5.492 ( 5.187 -3.506 -1.209) 6.376 5.946 ( -2.461 -12.859 -2.616) 13.351 6.550 ( 6.163 7.123 -1.270) 9.504 6.846 ( 4.410 -0.317 -1.467) 4.658 7.256 ( -2.215 -4.289 -4.695) 6.734 7.596 ( -11.339 5.631 2.618) 12.928 8.220 ( 8.012 -7.455 -0.093) 10.944 8.671 ( 5.282 -6.854 -3.342) 9.276 8.871 ( -5.029 -10.590 5.282) 12.858 9.064 ( 3.387 -11.179 -9.998) 15.375 9.285 ( 1.891 -2.408 -5.590) 6.373 9.482 ( 2.946 6.333 -0.359) 6.993 9.974 ( 1.458 -6.784 -0.104) 6.940 10.267 ( -1.722 7.228 -0.391) 7.441 10.913 ( -1.911 -2.138 -6.584) 7.182 11.175 ( -0.404 1.774 -8.254) 8.452 11.624 ( 0.521 -4.344 -2.958) 5.281 12.515 ( 0.185 9.151 -3.086) 9.659 12.707 ( -7.735 0.417 -0.675) 7.776 13.145 ( -2.537 -4.905 -9.687) 11.150 13.332 ( -5.695 -2.760 -11.861) 13.444 13.469 ( 7.291 -6.064 -2.761) 9.877 13.727 ( -2.351 -4.265 -11.201) 12.214 14.430 ( 4.069 8.080 8.588) 12.474 14.624 ( -9.544 9.149 7.881) 15.392 15.115 ( 5.870 -0.963 -2.685) 6.526 15.394 ( -1.190 1.723 -2.899) 3.576 15.437 ( 1.599 0.898 4.668) 5.015 15.627 ( 3.835 -4.092 5.194) 7.644 16.215 ( -2.376 7.536 0.012) 7.902 16.329 ( 6.099 4.229 4.304) 8.579 16.492 ( 2.465 0.407 -6.627) 7.082 16.848 ( -2.685 2.933 2.631) 4.768 17.364 ( -6.402 -3.695 3.172) 8.043 17.525 ( 5.158 -6.205 19.650) 21.243 ======================= Grid point 139 (39/131) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -8.991 17.327 9.512) 21.716 2.247 ( -11.633 19.237 6.983) 23.540 2.302 ( -8.568 18.957 9.485) 22.864 2.624 ( -6.553 5.027 2.909) 8.756 3.404 ( 10.212 -14.500 0.605) 17.746 3.422 ( 7.354 -15.123 0.983) 16.845 3.710 ( -21.209 37.895 0.388) 43.428 4.840 ( 2.506 0.579 2.743) 3.760 5.012 ( -2.181 -0.964 3.110) 3.919 5.365 ( 1.201 -8.871 -0.757) 8.984 5.554 ( 3.152 -6.564 -2.479) 7.692 5.883 ( 10.967 -10.554 -3.007) 15.515 6.695 ( 0.242 4.281 -0.333) 4.300 6.924 ( 7.222 -0.977 -2.888) 7.839 7.138 ( -5.872 -6.320 -2.947) 9.117 7.528 ( -5.320 12.263 1.141) 13.416 8.261 ( 1.365 -6.840 -5.592) 8.940 8.542 ( -0.575 -14.818 -5.396) 15.781 8.815 ( 4.961 -2.997 1.163) 5.912 8.945 ( -0.967 -7.439 -2.966) 8.067 9.477 ( 20.292 -9.561 -7.042) 23.511 9.599 ( 3.342 6.205 2.300) 7.413 9.864 ( -2.417 -10.340 1.241) 10.691 10.287 ( -6.229 8.431 -2.156) 10.702 10.946 ( 4.302 3.069 -5.067) 7.322 11.136 ( -4.861 -0.386 -9.081) 10.308 11.616 ( 2.772 -3.592 -8.547) 9.677 12.501 ( -9.670 4.321 -3.257) 11.081 12.694 ( 0.204 9.784 0.328) 9.791 13.110 ( 1.822 -0.843 -12.107) 12.272 13.184 ( -2.383 -6.565 -10.573) 12.671 13.570 ( 5.049 -2.123 -8.585) 10.183 13.675 ( 3.277 -4.376 -6.713) 8.658 14.524 ( -9.892 5.297 8.876) 14.308 14.564 ( 0.073 10.653 9.760) 14.448 15.134 ( -0.757 -3.283 -2.542) 4.220 15.386 ( -1.177 1.624 0.112) 2.009 15.493 ( 3.617 -0.149 2.318) 4.299 15.643 ( 3.621 -5.884 6.454) 9.455 16.222 ( -4.728 5.799 1.513) 7.633 16.401 ( -0.312 0.114 -1.320) 1.361 16.506 ( -1.118 -0.546 -0.880) 1.524 16.915 ( 2.864 7.991 7.152) 11.100 17.220 ( -4.394 -3.712 -1.623) 5.976 17.552 ( 5.263 -6.831 19.823) 21.617 ======================= Grid point 140 (40/131) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -15.640 11.221 9.477) 21.455 2.248 ( -11.253 14.319 6.136) 19.217 2.403 ( -5.396 23.268 4.391) 24.286 2.568 ( -5.270 5.658 0.264) 7.736 3.341 ( 3.475 -20.042 1.332) 20.385 3.399 ( 4.230 -11.484 -0.368) 12.244 3.813 ( -10.928 37.778 0.131) 39.327 4.767 ( -6.748 -9.930 -0.477) 12.015 4.983 ( 0.461 1.920 2.068) 2.859 5.335 ( 4.509 -6.753 0.916) 8.172 5.501 ( 0.849 -7.472 -0.728) 7.555 6.043 ( 13.862 -6.106 -2.551) 15.360 6.611 ( -7.537 -3.403 4.911) 9.619 6.919 ( -7.970 -5.577 -6.754) 11.843 7.122 ( 9.112 2.858 -2.097) 9.777 7.635 ( 0.104 14.686 3.282) 15.049 8.113 ( -1.186 -11.390 -5.490) 12.700 8.543 ( 5.747 -2.779 -6.953) 9.439 8.807 ( -0.493 -1.994 -7.465) 7.742 8.983 ( 9.182 -5.221 6.848) 12.588 9.625 ( 6.606 -7.524 -9.565) 13.847 9.708 ( -3.801 -8.349 0.625) 9.195 9.785 ( 11.554 -0.597 5.217) 12.691 10.231 ( -6.845 5.534 0.699) 8.830 11.031 ( -0.620 -1.327 -9.110) 9.228 11.094 ( 4.407 2.875 -4.208) 6.738 11.606 ( -1.014 -2.158 -6.128) 6.576 12.409 ( -5.363 6.083 -3.465) 8.819 12.776 ( -1.537 7.726 -2.149) 8.165 13.143 ( 2.382 1.395 -9.925) 10.301 13.206 ( 8.985 -2.806 -6.201) 11.272 13.573 ( 1.773 -4.628 -12.588) 13.529 13.758 ( 6.929 -1.659 -5.390) 8.933 14.386 ( -9.709 2.095 7.090) 12.203 14.651 ( -4.065 13.256 8.860) 16.455 15.048 ( -3.819 -5.120 -2.703) 6.936 15.382 ( -1.010 1.197 1.728) 2.332 15.520 ( 0.844 -3.967 2.578) 4.806 15.649 ( 3.435 -4.464 4.044) 6.934 16.172 ( -6.582 4.367 2.736) 8.360 16.365 ( -3.670 1.163 -7.335) 8.284 16.421 ( -6.223 -2.876 -0.132) 6.857 17.006 ( 0.371 1.294 8.579) 8.684 17.215 ( 5.229 2.744 1.749) 6.159 17.569 ( 3.682 -5.318 16.749) 17.955 ======================= Grid point 146 (41/131) ======================= q-point: (-0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 7.669 12.496 5.464) 15.647 2.348 ( 3.871 13.426 7.675) 15.943 2.660 ( 3.148 2.618 2.067) 4.586 2.871 ( 19.208 -10.701 1.117) 22.016 2.917 ( -17.213 11.299 2.489) 20.740 3.280 ( -1.666 -3.608 -0.005) 3.974 4.427 ( -16.010 21.119 -2.601) 26.629 4.441 ( 24.461 -4.130 -1.244) 24.838 5.006 ( -0.142 -1.587 2.172) 2.693 5.289 ( 1.505 -2.965 2.244) 4.011 5.421 ( -1.336 -2.350 1.179) 2.950 5.943 ( -10.054 -10.965 -2.497) 15.084 6.552 ( 3.302 9.465 4.187) 10.863 6.830 ( 0.656 5.963 -4.880) 7.733 7.203 ( -0.118 -8.885 -3.192) 9.442 7.821 ( -4.365 4.618 -1.043) 6.439 7.992 ( 5.577 -7.144 1.921) 9.264 8.547 ( 0.171 -6.172 -4.988) 7.938 8.839 ( 5.682 -1.361 -6.652) 8.854 8.907 ( -7.955 -10.770 5.311) 14.404 9.429 ( -14.888 -3.934 -12.639) 19.922 9.535 ( -1.329 7.832 2.441) 8.311 9.873 ( 1.733 -7.507 3.543) 8.480 10.310 ( 5.180 6.546 -0.827) 8.389 10.969 ( -3.912 1.357 -9.763) 10.605 11.157 ( 1.745 -2.368 -6.790) 7.400 11.587 ( -0.867 -2.601 -4.135) 4.962 12.517 ( 6.263 3.465 -2.974) 7.751 12.815 ( -3.802 0.061 -3.744) 5.337 13.133 ( -3.892 -6.967 -8.348) 11.549 13.283 ( 6.104 -5.258 -4.314) 9.139 13.450 ( -8.070 -0.303 -12.146) 14.586 13.735 ( -3.902 -5.161 -9.043) 11.119 14.422 ( 6.485 8.784 8.457) 13.811 14.864 ( -4.512 5.301 5.109) 8.635 14.939 ( 8.598 -0.787 3.926) 9.485 15.407 ( 0.964 0.612 2.897) 3.114 15.443 ( -0.927 2.159 4.645) 5.206 15.591 ( -2.570 -1.618 2.030) 3.652 16.252 ( 6.161 3.756 0.582) 7.240 16.332 ( -0.553 8.127 3.912) 9.036 16.428 ( 4.400 0.611 -8.663) 9.735 16.944 ( -4.188 2.997 4.226) 6.662 17.334 ( 3.382 -7.621 12.047) 14.651 17.483 ( -5.081 -2.274 6.632) 8.659 ======================= Grid point 148 (42/131) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.890 13.317 8.339) 15.738 2.520 ( -1.007 14.922 8.101) 17.009 2.649 ( -9.492 8.883 6.119) 14.368 2.780 ( -8.037 5.079 4.853) 10.674 3.059 ( 14.593 -10.718 2.343) 18.257 3.200 ( 1.364 -11.315 2.005) 11.572 4.386 ( -16.575 26.970 -0.316) 31.657 4.754 ( 10.767 1.119 2.759) 11.171 4.986 ( 0.944 -3.389 2.105) 4.100 5.294 ( 0.569 -3.041 0.811) 3.198 5.429 ( 6.050 -2.832 -1.218) 6.791 5.670 ( -3.923 -14.445 -3.658) 15.409 6.727 ( 4.939 9.730 -0.110) 10.913 6.869 ( -1.733 2.233 -1.417) 3.161 7.109 ( -0.047 -9.433 -3.535) 10.074 7.774 ( -8.219 12.007 -1.542) 14.632 8.102 ( 11.036 -4.142 -3.261) 12.231 8.412 ( -3.952 -17.113 -5.969) 18.550 8.707 ( -0.758 -4.373 7.879) 9.043 8.946 ( 2.892 -1.611 -8.971) 9.562 9.179 ( -1.243 -7.491 -8.083) 11.090 9.607 ( 1.637 4.978 0.735) 5.292 9.800 ( -0.612 -7.927 2.237) 8.260 10.443 ( -0.382 7.859 -3.177) 8.485 10.966 ( -0.853 6.600 -9.353) 11.479 11.173 ( 0.422 -2.081 -9.807) 10.035 11.529 ( 0.479 -4.859 -10.211) 11.318 12.677 ( 1.921 6.883 -3.245) 7.848 12.720 ( -3.403 1.213 -2.208) 4.234 13.014 ( -0.167 -9.143 -8.830) 12.712 13.267 ( -5.314 -0.525 -13.522) 14.538 13.436 ( 6.298 1.233 -5.917) 8.729 13.618 ( -2.200 -6.416 -9.014) 11.281 14.624 ( 4.907 10.612 10.629) 15.801 14.774 ( -10.845 5.658 8.931) 15.145 15.036 ( 5.795 -6.715 4.533) 9.961 15.420 ( -0.391 1.021 2.341) 2.584 15.458 ( 0.542 1.102 5.073) 5.219 15.546 ( 1.027 -3.763 5.002) 6.344 16.343 ( -1.334 5.038 -3.495) 6.275 16.393 ( 1.199 2.185 7.164) 7.585 16.479 ( 2.116 -1.731 -3.728) 4.623 16.967 ( 0.484 7.851 6.775) 10.381 17.278 ( -4.666 -3.849 5.428) 8.127 17.404 ( 2.923 -6.111 7.268) 9.936 ======================= Grid point 149 (43/131) ======================= q-point: (-0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -12.016 5.734 9.000) 16.071 2.560 ( -10.273 7.760 7.582) 14.941 2.668 ( -2.458 12.419 6.177) 14.086 2.698 ( -4.227 8.758 4.379) 10.665 3.090 ( 2.713 -16.945 3.215) 17.459 3.190 ( 9.480 -6.086 1.399) 11.352 4.389 ( -14.436 27.415 0.289) 30.985 4.772 ( -5.512 -9.656 1.792) 11.261 4.978 ( 1.648 -1.735 2.759) 3.652 5.257 ( -0.844 -0.524 -0.249) 1.024 5.416 ( 0.446 -5.517 -0.758) 5.586 5.709 ( 16.392 -6.143 -3.523) 17.856 6.740 ( -8.847 -0.287 2.821) 9.290 6.954 ( 2.207 0.544 -7.198) 7.548 7.013 ( 2.979 -1.774 0.099) 3.469 7.812 ( -3.523 15.091 -0.271) 15.499 8.051 ( -5.903 -13.318 -5.028) 15.411 8.372 ( 12.128 -1.773 -7.278) 14.255 8.750 ( 8.348 -4.100 7.523) 11.962 8.863 ( -5.473 0.793 -6.774) 8.744 9.287 ( 15.808 -8.840 -9.692) 20.542 9.658 ( -1.285 -2.800 1.559) 3.453 9.738 ( 2.329 1.076 2.401) 3.514 10.434 ( -7.540 4.815 -2.873) 9.396 11.037 ( -0.659 2.149 -9.130) 9.402 11.105 ( -2.246 0.093 -9.551) 9.812 11.540 ( 4.375 -3.233 -11.017) 12.287 12.594 ( -8.339 5.139 -2.793) 10.186 12.818 ( 1.468 0.686 -3.768) 4.102 12.995 ( 8.462 -4.823 -6.527) 11.725 13.211 ( -3.137 5.694 -12.567) 14.149 13.493 ( 0.379 -5.975 -10.649) 12.217 13.613 ( 7.606 -1.066 -6.412) 10.005 14.606 ( -11.963 2.673 10.232) 15.967 14.802 ( 1.367 11.836 9.033) 14.952 15.011 ( 0.615 -8.529 4.748) 9.781 15.415 ( -1.105 1.167 3.334) 3.702 15.475 ( 0.456 -1.363 4.377) 4.607 15.550 ( 3.378 -2.787 4.924) 6.589 16.319 ( -5.303 3.606 1.299) 6.543 16.419 ( -0.735 1.639 -2.882) 3.396 16.461 ( -1.478 -3.155 0.990) 3.622 17.028 ( -2.717 -0.342 10.542) 10.892 17.200 ( 0.667 4.813 1.511) 5.089 17.433 ( 5.833 -5.246 7.816) 11.074 ======================= Grid point 158 (44/131) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 0.000 9.023) 9.023 2.715 ( -1.190 -2.379 6.550) 7.070 2.715 ( 1.190 2.379 6.550) 7.070 2.931 ( -3.143 -6.286 4.699) 8.454 2.931 ( 3.143 6.286 4.699) 8.454 2.981 ( 0.000 -0.000 4.302) 4.302 4.707 ( 0.000 0.000 4.404) 4.404 4.848 ( -4.642 -9.285 1.810) 10.537 4.848 ( 4.642 9.285 1.810) 10.537 5.381 ( -0.000 -0.000 -5.810) 5.810 5.391 ( -0.777 -1.554 -0.733) 1.886 5.391 ( 0.777 1.554 -0.733) 1.886 6.903 ( -2.277 -4.554 -1.013) 5.192 6.903 ( 2.277 4.554 -1.013) 5.192 6.929 ( -0.000 -0.000 -1.851) 1.851 8.017 ( 0.000 0.000 -5.463) 5.463 8.090 ( -5.336 -10.671 -3.549) 12.447 8.090 ( 5.336 10.671 -3.549) 12.447 8.660 ( 0.000 0.000 5.157) 5.157 9.009 ( -3.824 -7.647 -7.476) 11.357 9.009 ( 3.824 7.647 -7.476) 11.357 9.687 ( -1.466 -2.931 0.912) 3.402 9.687 ( 1.466 2.931 0.912) 3.402 10.530 ( 0.000 -0.000 -3.182) 3.182 11.103 ( -1.885 -3.771 -10.545) 11.357 11.103 ( 1.885 3.771 -10.545) 11.357 11.462 ( 0.000 0.000 -13.397) 13.397 12.752 ( 0.000 0.000 -3.207) 3.207 12.817 ( -3.431 -6.863 -5.330) 9.342 12.817 ( 3.431 6.863 -5.330) 9.342 13.290 ( -0.000 0.000 -15.775) 15.775 13.492 ( -1.998 -3.997 -6.880) 8.204 13.492 ( 1.998 3.997 -6.880) 8.204 14.790 ( 0.000 -0.000 11.632) 11.632 14.872 ( -3.057 -6.114 8.207) 10.681 14.872 ( 3.057 6.114 8.207) 10.681 15.434 ( 0.000 0.000 4.335) 4.335 15.485 ( -0.901 -1.802 4.904) 5.302 15.485 ( 0.901 1.802 4.904) 5.302 16.422 ( 0.000 0.000 -8.727) 8.727 16.424 ( -0.471 -0.942 4.393) 4.517 16.424 ( 0.471 0.942 4.393) 4.517 17.068 ( -0.000 0.000 15.268) 15.268 17.281 ( -2.539 -5.079 1.410) 5.851 17.281 ( 2.539 5.079 1.410) 5.851 ======================= Grid point 182 (45/131) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 0.000 17.629) 17.629 1.102 ( 0.000 0.000 22.735) 22.735 1.102 ( 0.000 -0.000 22.735) 22.735 1.945 ( 0.000 0.000 41.155) 41.155 2.191 ( 0.000 0.000 -0.276) 0.276 4.578 ( 0.000 0.000 1.982) 1.982 4.578 ( 0.000 -0.000 1.982) 1.982 4.675 ( 0.000 0.000 2.852) 2.852 4.675 ( 0.000 -0.000 2.852) 2.852 5.371 ( -0.000 0.000 -12.685) 12.685 5.910 ( -0.000 0.000 -14.711) 14.711 6.586 ( -0.000 0.000 -3.996) 3.996 6.586 ( 0.000 -0.000 -3.996) 3.996 6.937 ( 0.000 0.000 -3.430) 3.430 6.937 ( 0.000 -0.000 -3.430) 3.430 7.198 ( 0.000 0.000 7.328) 7.328 7.198 ( 0.000 0.000 7.328) 7.328 8.783 ( 0.000 0.000 -14.883) 14.883 8.783 ( 0.000 -0.000 -14.883) 14.883 9.382 ( 0.000 0.000 2.699) 2.699 9.559 ( 0.000 -0.000 -0.551) 0.551 9.559 ( 0.000 -0.000 -0.551) 0.551 10.170 ( 0.000 0.000 6.364) 6.364 10.930 ( 0.000 0.000 -4.326) 4.326 10.930 ( 0.000 -0.000 -4.326) 4.326 11.614 ( 0.000 -0.000 -16.732) 16.732 11.741 ( 0.000 0.000 4.973) 4.973 11.741 ( 0.000 -0.000 4.973) 4.973 12.009 ( 0.000 0.000 -1.668) 1.668 12.009 ( 0.000 -0.000 -1.668) 1.668 13.327 ( 0.000 -0.000 22.392) 22.392 13.868 ( 0.000 0.000 -0.797) 0.797 13.868 ( 0.000 -0.000 -0.797) 0.797 14.055 ( 0.000 -0.000 16.745) 16.745 14.377 ( 0.000 0.000 0.595) 0.595 14.377 ( 0.000 -0.000 0.595) 0.595 15.513 ( 0.000 0.000 -3.737) 3.737 15.705 ( 0.000 0.000 4.818) 4.818 15.705 ( 0.000 -0.000 4.818) 4.818 16.010 ( 0.000 0.000 -12.156) 12.156 16.163 ( 0.000 -0.000 0.099) 0.099 16.513 ( 0.000 -0.000 -7.209) 7.209 16.845 ( 0.000 0.000 2.118) 2.118 16.845 ( 0.000 -0.000 2.118) 2.118 19.784 ( 0.000 0.000 3.163) 3.163 ======================= Grid point 183 (46/131) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 17.471 -2.813 18.794) 25.814 1.187 ( 13.850 2.439 13.934) 19.797 1.475 ( 15.310 13.576 21.625) 29.771 2.084 ( 12.010 7.891 26.641) 30.270 2.228 ( 4.825 1.834 3.242) 6.095 4.293 ( -13.871 -8.965 0.938) 16.542 4.365 ( -15.751 -7.990 1.061) 17.694 4.771 ( 5.111 4.503 2.848) 7.383 4.878 ( 8.038 1.536 3.421) 8.870 5.400 ( 1.704 2.781 -11.712) 12.158 5.826 ( -6.122 -4.182 -12.555) 14.581 6.501 ( -8.054 -0.083 -2.953) 8.578 6.628 ( 2.378 -2.487 -2.754) 4.407 6.853 ( 1.362 -9.369 -4.536) 10.498 7.068 ( 1.287 5.513 -5.119) 7.632 7.232 ( 3.347 4.131 6.304) 8.247 7.819 ( 34.469 24.428 -7.870) 42.974 8.681 ( -5.621 4.171 -15.866) 17.341 8.983 ( 15.889 -0.248 -12.694) 20.338 9.322 ( -3.508 -5.577 0.603) 6.616 9.431 ( -9.919 3.901 0.591) 10.675 9.612 ( 3.628 -5.586 -2.570) 7.139 10.164 ( -3.656 4.098 2.867) 6.195 10.722 ( -16.295 -15.296 -1.259) 22.385 10.911 ( -3.718 3.125 -4.366) 6.531 11.299 ( -10.869 -2.697 6.518) 12.958 11.664 ( 3.657 -9.927 -0.430) 10.588 11.947 ( -3.271 9.835 -8.921) 13.675 12.112 ( 10.622 12.920 -5.980) 17.763 12.349 ( 22.588 5.240 -13.145) 26.654 13.347 ( 0.132 2.098 16.633) 16.766 13.669 ( -11.321 0.035 0.190) 11.322 13.899 ( -0.178 -1.779 -0.073) 1.789 14.219 ( 9.976 -2.546 9.120) 13.754 14.361 ( 0.132 4.737 2.339) 5.285 14.471 ( 8.059 0.671 0.818) 8.128 15.461 ( -3.669 -2.703 -1.446) 4.781 15.661 ( -2.928 -1.869 4.394) 5.601 15.751 ( 3.491 1.643 1.210) 4.044 16.094 ( 6.092 2.720 -9.696) 11.770 16.142 ( -1.488 -1.701 1.342) 2.628 16.468 ( -0.829 -5.443 -1.732) 5.772 16.847 ( -0.060 1.007 2.160) 2.384 16.957 ( 6.804 7.456 -1.748) 10.244 19.402 ( -27.477 -15.217 17.115) 35.770 ======================= Grid point 184 (47/131) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 17.848 1.272 6.035) 18.883 1.528 ( 26.558 0.194 9.901) 28.344 1.791 ( 14.486 0.216 23.871) 27.923 2.291 ( 7.601 -0.095 -4.080) 8.628 2.640 ( 26.308 18.945 11.769) 34.489 3.921 ( -16.582 -10.923 -0.256) 19.858 3.987 ( -16.981 -9.639 0.258) 19.528 4.840 ( -0.521 0.433 1.877) 1.995 4.987 ( 5.472 -2.759 3.084) 6.861 5.477 ( 1.624 5.664 -8.352) 10.222 5.656 ( -6.825 -5.109 -7.721) 11.502 6.324 ( -11.406 -0.196 -0.823) 11.437 6.565 ( -2.902 -5.795 0.935) 6.548 6.835 ( 3.497 -5.875 -6.167) 9.207 7.126 ( -0.221 5.675 -4.580) 7.296 7.396 ( 8.003 7.731 4.806) 12.121 8.315 ( 6.574 8.066 -8.649) 13.531 8.657 ( -4.497 5.728 -11.791) 13.859 9.136 ( -3.683 -8.276 -1.569) 9.194 9.267 ( -1.767 5.205 0.896) 5.569 9.348 ( 3.938 -1.449 1.581) 4.484 9.608 ( 5.113 -9.076 -12.114) 15.977 9.954 ( -24.043 -3.294 -5.150) 24.808 10.391 ( -3.722 -0.273 8.540) 9.320 10.901 ( 0.352 -0.184 -6.468) 6.481 11.133 ( -9.758 2.234 1.847) 10.179 11.665 ( 2.202 -1.094 -2.150) 3.267 12.059 ( 5.563 6.594 -8.930) 12.416 12.415 ( 11.402 9.748 -3.406) 15.383 12.760 ( 14.636 9.292 -22.297) 28.244 13.323 ( -6.233 2.874 3.072) 7.519 13.543 ( -5.712 4.575 -1.697) 7.512 13.804 ( -7.408 -3.256 -0.056) 8.092 14.337 ( 10.298 -2.943 5.567) 12.071 14.425 ( 3.611 -2.349 5.706) 7.149 14.673 ( 11.720 1.541 -2.612) 12.106 15.363 ( -3.119 -3.588 -0.917) 4.842 15.582 ( -2.841 -3.075 4.753) 6.334 15.829 ( 2.584 0.821 0.072) 2.712 16.078 ( -1.716 -4.222 2.433) 5.166 16.220 ( 5.602 -0.054 -8.037) 9.797 16.395 ( 1.423 -9.701 3.256) 10.331 16.863 ( -0.783 3.755 1.937) 4.297 17.187 ( 7.980 10.794 -2.345) 13.627 18.757 ( -26.306 -13.532 26.761) 39.891 ======================= Grid point 185 (48/131) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 13.793 -4.469 0.692) 14.515 1.926 ( 17.976 -3.458 8.126) 20.028 2.123 ( 26.303 0.288 10.296) 28.248 2.419 ( 8.596 -3.550 -4.667) 10.405 3.317 ( 27.307 16.527 0.491) 31.923 3.521 ( -15.895 -12.486 -0.672) 20.224 3.595 ( -14.652 -9.007 -0.242) 17.201 4.743 ( -7.074 -6.825 -2.588) 10.165 5.035 ( 3.680 -2.924 3.593) 5.916 5.478 ( -4.462 -3.374 -1.882) 5.902 5.577 ( -1.085 5.062 -1.867) 5.503 6.137 ( -9.159 1.416 -0.503) 9.282 6.486 ( -0.569 -2.173 2.454) 3.327 6.796 ( -1.817 -4.779 -3.968) 6.472 7.186 ( -0.258 6.411 -5.760) 8.623 7.639 ( 9.134 9.296 5.562) 14.170 8.375 ( -5.044 2.947 -4.207) 7.199 8.610 ( -4.321 1.316 -9.403) 10.431 9.031 ( -2.231 1.703 -7.726) 8.220 9.137 ( -11.073 -3.561 3.596) 12.175 9.378 ( -3.818 -9.332 4.807) 11.170 9.448 ( -10.861 5.091 -1.220) 12.057 9.733 ( 8.269 -9.873 -9.317) 15.895 10.400 ( -2.383 6.133 5.185) 8.377 10.891 ( -3.746 2.113 -8.106) 9.176 11.024 ( -4.719 4.188 -5.007) 8.054 11.688 ( -2.292 4.372 -2.512) 5.539 12.234 ( 8.392 1.852 -6.549) 10.805 12.682 ( 7.877 7.538 -0.710) 10.926 13.024 ( 3.597 10.389 -16.996) 20.242 13.242 ( -5.355 5.040 -4.995) 8.890 13.515 ( -4.629 4.726 -5.698) 8.731 13.616 ( -8.374 -2.807 -2.859) 9.283 14.437 ( 3.275 -6.937 7.545) 10.760 14.534 ( 13.638 -1.172 6.103) 14.987 14.858 ( 9.387 -2.903 -5.334) 11.180 15.306 ( 0.765 -2.344 -1.297) 2.785 15.517 ( -0.540 -2.904 4.908) 5.728 15.795 ( -4.740 -4.833 3.919) 7.822 16.047 ( 2.819 -2.980 -2.288) 4.698 16.263 ( 1.556 -4.421 -8.716) 9.896 16.329 ( 3.568 -11.631 6.100) 13.610 16.902 ( -0.963 7.381 0.960) 7.505 17.428 ( 7.289 10.217 2.158) 12.735 18.250 ( -19.116 -8.844 24.451) 32.272 ======================= Grid point 186 (49/131) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 9.239 -11.827 -1.785) 15.114 2.146 ( 13.963 -7.864 4.270) 16.585 2.478 ( 6.912 -9.729 -7.535) 14.114 2.636 ( 24.905 6.430 4.629) 26.134 3.076 ( -18.129 -16.318 0.680) 24.401 3.304 ( -5.377 -5.615 -1.619) 7.941 3.950 ( 24.427 11.576 -4.650) 27.429 4.461 ( -14.379 -11.862 -5.806) 19.524 5.059 ( 2.359 -2.862 3.892) 5.377 5.388 ( -2.706 -0.478 2.138) 3.481 5.582 ( -3.146 3.510 4.336) 6.404 6.067 ( -2.844 5.173 -1.878) 6.195 6.511 ( 4.411 0.119 2.214) 4.937 6.702 ( -3.632 -2.829 -0.944) 4.699 7.226 ( -2.734 6.043 -6.149) 9.044 7.854 ( 3.506 7.089 4.949) 9.330 8.241 ( -9.693 1.825 1.758) 10.019 8.563 ( -1.812 0.806 -8.080) 8.320 8.815 ( -15.113 -4.977 -1.173) 15.954 9.108 ( -1.540 9.964 -8.185) 12.987 9.237 ( 2.646 -2.427 -0.950) 3.714 9.485 ( 3.276 4.247 4.033) 6.711 9.785 ( 7.586 -9.518 -5.132) 13.208 10.387 ( -4.634 2.837 3.294) 6.354 10.849 ( -4.751 7.865 -10.112) 13.664 11.038 ( -0.417 4.694 -8.379) 9.613 11.662 ( -5.839 4.530 -1.610) 7.564 12.350 ( 3.929 -1.741 -4.328) 6.099 12.793 ( -1.905 3.964 -1.312) 4.590 13.119 ( -0.146 6.589 -9.523) 11.581 13.267 ( -1.918 9.360 -5.643) 11.097 13.385 ( -10.042 1.394 -5.378) 11.476 13.583 ( 0.969 4.192 -10.088) 10.967 14.405 ( 2.974 -9.881 8.161) 13.156 14.741 ( 11.391 -3.490 3.071) 12.303 14.918 ( 3.066 -7.273 -0.254) 7.897 15.356 ( 5.792 0.391 -1.256) 5.940 15.519 ( 2.336 -1.587 5.523) 6.204 15.628 ( -4.558 -6.729 2.224) 8.426 16.072 ( 2.397 -3.391 -5.884) 7.202 16.202 ( -1.072 -6.118 -8.762) 10.740 16.292 ( 5.712 -11.574 7.597) 14.977 16.977 ( -0.476 9.384 -0.933) 9.443 17.649 ( 7.130 8.551 9.167) 14.422 17.892 ( -14.089 -5.336 18.584) 23.924 ======================= Grid point 187 (50/131) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.725 -14.328 -0.874) 15.852 2.214 ( 4.184 -12.969 4.084) 14.226 2.421 ( 0.741 -11.992 -6.695) 13.755 2.575 ( -17.845 -19.784 2.723) 26.782 3.134 ( 22.559 8.156 1.561) 24.038 3.296 ( 7.065 1.429 -1.683) 7.402 3.996 ( -22.816 -15.150 -5.017) 27.843 4.410 ( 17.986 5.182 -5.602) 19.538 5.057 ( 0.551 -2.534 3.739) 4.550 5.390 ( 1.739 2.630 1.984) 3.725 5.566 ( -2.983 4.537 5.156) 7.488 6.116 ( 1.366 6.068 -2.260) 6.618 6.609 ( 4.755 -2.654 -7.996) 9.674 6.649 ( 1.299 1.664 8.649) 8.903 7.211 ( -5.163 5.058 -4.660) 8.599 7.819 ( -8.246 -2.467 1.093) 8.676 8.180 ( -4.597 8.408 5.030) 10.823 8.521 ( -6.457 2.091 -3.562) 7.665 8.635 ( -0.879 1.549 -8.411) 8.598 9.139 ( 2.811 1.134 3.579) 4.690 9.416 ( 8.539 8.213 -12.425) 17.168 9.611 ( 4.564 6.321 2.403) 8.158 9.794 ( 4.572 -9.286 -2.530) 10.655 10.318 ( -3.526 0.428 2.407) 4.291 10.895 ( -1.793 10.609 -9.807) 14.558 11.081 ( -1.230 6.391 -7.941) 10.267 11.581 ( -6.137 1.005 -0.017) 6.219 12.330 ( -3.109 -2.171 -3.415) 5.103 12.740 ( -4.434 -2.128 -4.455) 6.636 13.135 ( -6.969 5.024 -5.302) 10.096 13.274 ( -6.034 7.432 -12.240) 15.539 13.344 ( 0.275 7.750 -2.699) 8.211 13.668 ( 3.011 4.979 -8.867) 10.606 14.352 ( 3.093 -10.484 6.940) 12.947 14.803 ( -1.399 -11.709 5.391) 12.966 14.852 ( 3.362 -5.864 -0.151) 6.761 15.430 ( -3.331 -4.551 2.292) 6.088 15.493 ( 6.942 0.592 0.432) 6.981 15.663 ( 7.175 1.075 2.663) 7.729 16.032 ( -0.431 -6.212 -7.848) 10.018 16.166 ( 2.797 -3.520 -4.950) 6.686 16.292 ( 6.717 -10.404 5.967) 13.746 17.057 ( -1.173 8.276 -2.844) 8.829 17.587 ( -13.385 -3.517 12.236) 18.473 17.908 ( 10.433 8.961 17.226) 22.043 ======================= Grid point 188 (51/131) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -0.357 -14.594 4.734) 15.346 2.007 ( -8.137 -17.404 6.386) 20.245 2.074 ( -14.050 -22.088 7.720) 27.292 2.324 ( 0.216 -8.731 -3.810) 9.528 3.355 ( -28.694 -15.622 0.515) 32.675 3.535 ( 15.613 6.334 -0.959) 16.876 3.612 ( 17.473 9.490 0.321) 19.887 4.693 ( 11.539 0.272 -3.540) 12.073 5.023 ( -2.012 -1.984 3.537) 4.527 5.486 ( 2.947 5.169 -1.818) 6.221 5.568 ( 0.012 2.313 0.408) 2.349 6.228 ( 3.615 7.324 -1.522) 8.308 6.618 ( 1.924 -2.051 -3.783) 4.714 6.757 ( 6.130 0.010 0.827) 6.186 7.160 ( -5.591 4.067 -3.907) 7.941 7.614 ( -9.013 -6.381 4.447) 11.905 8.197 ( -4.417 10.428 -0.719) 11.348 8.484 ( -0.066 1.992 -7.470) 7.732 8.700 ( 3.067 6.110 -9.216) 11.475 9.240 ( 5.275 2.426 5.763) 8.181 9.560 ( 1.805 -1.975 -7.769) 8.217 9.761 ( 3.978 0.162 0.746) 4.051 9.807 ( 5.825 3.619 -5.983) 9.101 10.337 ( 6.082 1.933 3.972) 7.517 10.951 ( -5.650 11.547 -7.067) 14.670 11.116 ( -2.126 5.718 -5.041) 7.914 11.498 ( -0.872 -2.933 -1.143) 3.267 12.237 ( -5.919 0.694 -3.542) 6.932 12.596 ( -6.808 -7.441 -2.923) 10.501 12.966 ( -14.839 0.385 -19.191) 24.262 13.291 ( -2.771 8.939 -3.364) 9.945 13.437 ( 1.561 7.590 -3.542) 8.520 13.774 ( 2.962 4.456 -5.517) 7.686 14.318 ( 3.846 -7.700 4.703) 9.808 14.590 ( -6.069 -12.882 10.240) 17.539 14.829 ( 0.236 -7.439 -4.602) 8.751 15.360 ( -0.233 -2.342 -0.517) 2.410 15.593 ( 3.791 -0.331 3.088) 4.901 15.799 ( 4.916 1.881 2.429) 5.797 15.988 ( 2.126 -3.778 -4.930) 6.565 16.208 ( 5.141 -2.288 -2.430) 6.130 16.309 ( 6.667 -9.854 3.531) 12.411 17.077 ( -3.808 3.074 -1.631) 5.159 17.322 ( -14.000 -0.861 4.538) 14.743 18.248 ( 16.950 11.994 24.274) 31.943 ======================= Grid point 189 (52/131) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -11.927 -22.581 9.374) 27.204 1.610 ( -15.542 -16.434 6.412) 23.511 1.777 ( -4.946 -12.163 24.571) 27.859 2.243 ( -1.519 -5.273 -4.090) 6.844 2.657 ( -30.567 -13.828 11.625) 35.507 3.912 ( 17.629 8.686 -0.242) 19.654 4.018 ( 16.391 10.218 0.570) 19.324 4.826 ( 4.855 -2.115 -0.442) 5.314 4.943 ( -4.598 -2.330 3.283) 6.111 5.487 ( -5.057 1.995 -5.910) 8.030 5.685 ( 7.873 2.557 -7.428) 11.122 6.385 ( 4.659 8.810 -1.425) 10.067 6.631 ( 2.420 -3.682 -2.931) 5.292 6.838 ( 4.983 -3.109 -3.314) 6.744 7.108 ( -4.492 3.183 -4.847) 7.335 7.406 ( -7.412 -5.288 7.409) 11.739 8.154 ( -11.473 2.386 -8.288) 14.354 8.558 ( 3.204 6.479 -11.170) 13.304 8.864 ( 8.408 4.856 -6.807) 11.858 9.338 ( 1.955 2.958 4.635) 5.836 9.467 ( -4.733 -7.514 -6.859) 11.221 9.737 ( 1.151 -9.802 -2.754) 10.247 10.007 ( 3.133 13.432 -3.219) 14.163 10.567 ( 16.314 0.280 4.800) 17.008 10.949 ( -7.025 15.099 -5.004) 17.389 11.108 ( -1.924 -0.322 -2.474) 3.150 11.526 ( 6.677 -1.978 -2.327) 7.343 12.145 ( -7.602 3.987 -3.266) 9.185 12.347 ( -12.286 -8.475 0.427) 14.932 12.654 ( -15.223 -8.065 -29.216) 33.917 13.335 ( -1.244 5.761 5.388) 7.985 13.558 ( 1.682 11.006 -2.214) 11.352 13.836 ( 1.598 -0.566 -1.993) 2.616 14.333 ( 3.453 -2.415 2.125) 4.719 14.377 ( -3.848 -10.961 10.185) 15.450 14.700 ( -6.102 -8.205 -2.984) 10.652 15.376 ( 3.154 0.341 -0.631) 3.235 15.638 ( 2.246 -0.124 4.252) 4.811 15.816 ( -2.152 -1.915 -0.722) 2.970 16.047 ( 4.843 0.966 -0.978) 5.035 16.237 ( -1.255 -3.595 -4.271) 5.722 16.353 ( 9.419 -6.746 3.730) 12.171 16.983 ( -5.945 -2.848 3.862) 7.640 17.102 ( -12.109 2.392 -4.663) 13.195 18.755 ( 24.974 16.078 26.814) 40.014 ======================= Grid point 190 (53/131) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -5.314 -15.674 18.578) 24.881 1.214 ( -11.368 -12.104 13.966) 21.697 1.480 ( -19.420 -6.858 21.907) 30.068 2.082 ( -12.373 -6.191 25.696) 29.184 2.224 ( -3.748 -3.058 4.061) 6.316 4.288 ( 15.094 7.701 0.887) 16.969 4.381 ( 13.671 9.304 1.317) 16.589 4.783 ( -7.127 -3.104 2.720) 8.235 4.846 ( -2.916 -4.382 2.547) 5.847 5.407 ( -3.838 -0.488 -10.882) 11.550 5.836 ( 5.762 2.668 -12.483) 14.005 6.532 ( 1.588 7.246 -3.305) 8.121 6.620 ( 1.437 -5.039 -3.678) 6.402 6.881 ( 6.315 -6.785 -3.590) 9.940 7.058 ( -5.053 2.306 -5.740) 7.987 7.262 ( -4.843 -1.910 7.754) 9.340 7.719 ( -33.748 -13.526 -8.520) 37.343 8.672 ( 1.165 7.731 -15.438) 17.305 8.944 ( -1.766 -9.348 -11.138) 14.648 9.316 ( 3.625 0.035 -0.694) 3.691 9.453 ( 0.902 6.779 -0.573) 6.863 9.646 ( -0.882 -7.072 -1.309) 7.246 10.142 ( 0.699 6.034 3.033) 6.789 10.794 ( 10.637 -2.088 -2.149) 11.050 11.002 ( -7.196 6.916 -4.976) 11.152 11.204 ( 16.030 9.250 2.915) 18.735 11.662 ( 11.280 -4.263 0.361) 12.064 12.025 ( -19.386 8.738 -4.894) 21.820 12.047 ( -7.539 -4.095 -1.671) 8.740 12.299 ( -11.076 -16.519 -17.746) 26.655 13.345 ( -1.627 1.049 16.395) 16.509 13.719 ( 2.622 13.307 0.029) 13.563 13.843 ( 3.945 -5.481 0.331) 6.761 14.225 ( -3.900 -8.903 10.217) 14.102 14.366 ( -0.984 3.069 0.721) 3.303 14.478 ( -7.171 -7.835 1.005) 10.669 15.459 ( 4.137 1.829 -1.338) 4.717 15.679 ( 1.917 0.955 4.350) 4.849 15.741 ( -2.906 -2.091 0.902) 3.692 16.093 ( -3.841 -2.570 -9.406) 10.480 16.148 ( 0.355 -1.006 1.325) 1.701 16.458 ( 6.235 -1.442 -1.623) 6.602 16.876 ( -2.722 -1.762 2.917) 4.362 16.931 ( -8.493 -0.154 -2.698) 8.913 19.402 ( 26.941 16.201 17.121) 35.797 ======================= Grid point 192 (54/131) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 8.739 12.933 14.240) 21.128 1.398 ( 4.949 15.061 7.792) 17.665 1.657 ( 2.724 3.831 29.244) 29.619 2.205 ( 2.367 1.189 -3.617) 4.484 2.517 ( 15.439 27.767 12.182) 34.026 4.013 ( -9.474 -17.448 0.055) 19.854 4.106 ( -11.202 -16.358 0.272) 19.828 4.858 ( 3.770 -3.436 1.077) 5.213 4.885 ( -0.392 5.199 2.382) 5.732 5.498 ( 2.706 5.797 -7.319) 9.721 5.703 ( -5.233 -7.239 -8.951) 12.646 6.456 ( -6.831 -7.178 -0.498) 9.921 6.570 ( -1.968 -0.682 -1.357) 2.486 6.773 ( -1.090 0.570 -4.457) 4.624 7.153 ( 2.812 3.382 -4.098) 6.011 7.352 ( 4.673 7.146 2.836) 8.997 8.239 ( 13.374 13.105 -8.281) 20.474 8.730 ( 2.572 -5.147 -6.078) 8.370 8.941 ( 6.849 -2.415 -10.837) 13.046 9.292 ( -1.725 5.091 -6.562) 8.483 9.454 ( 1.608 -7.730 -3.478) 8.628 9.517 ( -11.527 2.705 1.649) 11.954 10.209 ( 0.814 -2.737 -2.224) 3.619 10.442 ( -15.364 -11.564 4.215) 19.686 10.970 ( -5.916 4.334 -3.380) 8.075 11.237 ( 4.241 -0.089 1.190) 4.406 11.531 ( 2.572 -5.688 -3.464) 7.139 12.163 ( -1.241 12.465 -2.806) 12.837 12.320 ( 9.452 4.677 -1.423) 10.641 12.579 ( 15.934 17.957 -31.681) 39.750 13.391 ( 0.702 1.080 8.758) 8.852 13.725 ( -7.818 4.830 -0.641) 9.212 13.802 ( 6.341 -6.346 -0.321) 8.977 14.197 ( -1.654 0.945 9.084) 9.281 14.363 ( 1.008 -3.693 3.231) 5.010 14.587 ( 2.861 8.123 -1.136) 8.687 15.378 ( -2.941 -4.392 -1.176) 5.415 15.613 ( -3.780 -2.728 4.369) 6.389 15.800 ( 2.221 2.693 -0.930) 3.613 16.070 ( -2.589 -5.475 1.380) 6.211 16.167 ( 0.850 2.952 -6.450) 7.144 16.315 ( -2.661 -8.186 0.640) 8.632 16.923 ( 0.111 6.361 3.809) 7.415 17.149 ( 8.385 10.166 -3.499) 13.634 18.936 ( -15.335 -26.656 25.959) 40.244 ======================= Grid point 193 (55/131) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 13.249 5.500 2.568) 14.574 1.647 ( 10.588 6.920 9.125) 15.597 1.757 ( 12.153 0.592 15.983) 20.087 2.261 ( 4.971 -2.743 -3.838) 6.853 3.128 ( 20.118 27.298 1.515) 33.944 3.630 ( -13.549 -17.543 -1.003) 22.189 3.720 ( -13.390 -15.776 -0.478) 20.698 4.814 ( -4.882 -3.584 -1.259) 6.186 4.924 ( 3.375 -2.751 1.907) 4.754 5.531 ( -4.399 -2.203 -1.772) 5.229 5.613 ( 1.197 2.529 -4.106) 4.969 6.242 ( -7.459 -7.567 1.425) 10.720 6.522 ( -2.638 0.925 -1.570) 3.206 6.796 ( 0.189 2.077 -3.399) 3.987 7.226 ( 1.621 3.614 -3.038) 4.992 7.564 ( 9.438 9.125 3.366) 13.552 8.435 ( 1.720 4.172 -8.901) 9.979 8.679 ( -1.947 -3.418 -2.395) 4.605 9.000 ( 3.479 -5.970 -4.338) 8.159 9.278 ( -8.016 -4.763 2.688) 9.704 9.349 ( -3.894 2.233 0.570) 4.525 9.441 ( 5.736 -6.244 -9.466) 12.708 9.862 ( -22.261 -3.195 -2.917) 22.677 10.388 ( 5.602 -3.136 2.598) 6.926 10.974 ( -2.014 7.850 -4.486) 9.263 11.214 ( -7.776 5.657 -1.098) 9.679 11.612 ( 9.273 -4.274 -5.329) 11.517 12.256 ( -1.314 11.754 -5.126) 12.890 12.571 ( 12.246 5.183 -0.856) 13.325 13.002 ( 12.212 14.402 -28.803) 34.441 13.354 ( -4.350 -0.780 -0.348) 4.433 13.669 ( -5.913 5.401 -4.085) 8.990 13.757 ( -7.261 0.563 -1.029) 7.355 14.270 ( 11.906 -3.400 8.814) 15.198 14.340 ( 0.892 -4.829 8.074) 9.450 14.704 ( 5.139 0.545 -3.474) 6.227 15.293 ( -2.063 -2.552 -2.127) 3.911 15.515 ( -3.149 -3.409 4.549) 6.498 15.812 ( -2.796 -4.131 1.278) 5.150 15.979 ( 0.686 -3.874 -0.085) 3.935 16.162 ( 0.530 -6.900 1.228) 7.029 16.234 ( 0.365 -4.227 -6.416) 7.692 17.002 ( -0.248 9.311 4.544) 10.363 17.390 ( 7.868 8.716 -1.020) 11.786 18.434 ( -15.792 -16.990 26.227) 35.013 ======================= Grid point 194 (56/131) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 4.491 -5.301 -0.881) 7.004 1.854 ( 12.036 -2.639 3.865) 12.914 2.158 ( 20.648 1.093 -2.562) 20.834 2.339 ( 10.994 -1.806 0.451) 11.150 3.196 ( -15.688 -18.521 -1.127) 24.298 3.337 ( -8.793 -12.631 -1.065) 15.427 3.748 ( 18.526 21.356 -3.809) 28.527 4.619 ( -12.458 -4.769 -4.269) 14.006 4.950 ( 4.603 -5.653 1.823) 7.515 5.451 ( -3.709 1.142 2.383) 4.554 5.639 ( -0.727 1.224 1.771) 2.272 6.089 ( -1.920 -5.818 1.221) 6.247 6.506 ( -0.783 1.724 -3.329) 3.830 6.798 ( -4.264 5.796 0.541) 7.216 7.283 ( 1.085 2.458 -2.517) 3.682 7.834 ( 8.828 10.490 4.570) 14.452 8.416 ( -7.066 1.601 -2.017) 7.520 8.600 ( -3.301 -0.645 -5.361) 6.329 8.966 ( -4.876 -7.312 -2.789) 9.220 9.096 ( -0.184 -7.597 2.222) 7.918 9.260 ( -5.179 1.081 -3.578) 6.387 9.522 ( 7.868 -5.088 -6.491) 11.399 9.607 ( -7.241 5.999 1.672) 9.550 10.429 ( 1.408 -2.045 -0.171) 2.489 11.024 ( -2.858 9.374 -8.198) 12.777 11.148 ( -6.174 7.630 -6.321) 11.674 11.690 ( 3.384 -3.855 -2.476) 5.696 12.354 ( -0.196 9.423 -4.525) 10.455 12.801 ( 7.108 4.038 -0.028) 8.175 13.168 ( -3.950 0.563 -9.420) 10.230 13.373 ( 5.034 9.487 -13.266) 17.069 13.564 ( -8.890 1.496 -8.732) 12.551 13.673 ( -5.899 6.590 -5.355) 10.340 14.290 ( 0.114 -6.555 10.691) 12.541 14.480 ( 14.139 -3.936 6.575) 16.082 14.767 ( 4.999 -5.993 -0.920) 7.859 15.279 ( 2.506 -0.328 -2.340) 3.444 15.460 ( 0.958 -2.668 4.457) 5.282 15.642 ( -6.262 -9.529 4.016) 12.088 15.995 ( 2.568 -2.827 -5.753) 6.905 16.108 ( 2.411 -6.642 3.519) 7.894 16.183 ( -1.224 -5.143 -7.903) 9.508 17.096 ( -0.817 10.795 4.257) 11.632 17.596 ( 7.293 6.235 4.450) 10.577 18.051 ( -12.662 -10.301 20.872) 26.497 ======================= Grid point 195 (57/131) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 3.886 -8.346 -4.298) 10.160 1.993 ( 8.050 -7.086 1.950) 10.900 2.249 ( 4.868 -11.768 -9.339) 15.792 2.687 ( -10.466 -15.704 0.530) 18.879 2.782 ( 17.415 3.143 1.948) 17.803 3.178 ( 3.161 -6.706 -1.265) 7.521 4.203 ( 6.468 8.805 -5.550) 12.254 4.300 ( -12.423 -0.255 -5.424) 13.558 4.971 ( 4.306 -5.803 1.560) 7.393 5.419 ( -2.302 3.348 2.929) 5.009 5.645 ( -0.809 2.889 5.689) 6.432 6.050 ( 4.088 -5.870 0.770) 7.195 6.529 ( 2.086 0.349 -6.173) 6.526 6.780 ( -6.302 9.640 4.466) 12.353 7.301 ( -1.111 0.980 -1.799) 2.330 7.974 ( -6.461 4.853 1.068) 8.150 8.317 ( -3.002 6.241 4.562) 8.293 8.603 ( 0.662 3.892 -5.806) 7.021 8.726 ( -10.452 -4.155 -1.390) 11.333 9.032 ( 4.111 -10.894 0.240) 11.646 9.334 ( 6.963 4.469 -6.790) 10.703 9.584 ( 4.845 -4.857 -3.186) 7.564 9.653 ( 2.648 6.993 2.308) 7.826 10.382 ( -4.087 -2.385 -2.196) 5.217 11.076 ( -3.064 13.269 -11.868) 18.064 11.161 ( -1.638 6.579 -7.755) 10.301 11.645 ( -2.931 -5.556 0.880) 6.343 12.417 ( -3.119 8.019 -3.304) 9.217 12.819 ( -6.195 -1.670 -1.594) 6.611 13.160 ( 4.911 -0.149 -4.053) 6.370 13.438 ( -8.833 3.946 -14.951) 17.808 13.537 ( -1.592 13.596 -6.712) 15.246 13.667 ( 0.051 3.619 -10.358) 10.973 14.222 ( 0.504 -7.280 10.508) 12.793 14.627 ( 7.784 -7.552 2.280) 11.083 14.752 ( 2.116 -8.633 5.871) 10.652 15.367 ( 6.870 0.096 -0.256) 6.875 15.444 ( -4.319 -6.163 3.049) 8.120 15.518 ( 6.968 -2.997 2.752) 8.069 15.975 ( 0.127 -5.239 -7.100) 8.824 16.106 ( -0.189 -3.718 -6.008) 7.068 16.127 ( 3.891 -4.175 1.362) 5.867 17.180 ( -1.922 9.791 3.095) 10.447 17.735 ( -5.473 -3.151 12.190) 13.729 17.821 ( 3.762 1.805 13.809) 14.425 ======================= Grid point 197 (58/131) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.782 -7.465 1.253) 8.462 1.931 ( -3.234 -14.604 2.831) 15.224 2.186 ( -19.443 -15.866 2.387) 25.208 2.217 ( 3.258 -6.810 -6.103) 9.708 3.246 ( 22.340 2.610 -0.222) 22.493 3.327 ( 16.860 1.707 -0.936) 16.972 3.779 ( -28.252 -6.766 -3.967) 29.320 4.552 ( 9.468 8.491 -3.612) 13.221 4.979 ( 2.964 -5.322 1.025) 6.177 5.451 ( 2.195 3.314 1.636) 4.298 5.647 ( -2.678 2.633 3.140) 4.895 6.120 ( 8.998 -3.250 1.534) 9.689 6.569 ( 2.576 -1.689 -7.862) 8.444 6.781 ( -4.136 8.704 4.511) 10.640 7.267 ( -3.278 0.520 -1.511) 3.646 7.774 ( -13.936 -1.298 1.116) 14.041 8.393 ( -2.672 11.803 2.331) 12.324 8.534 ( -4.608 0.004 -2.519) 5.252 8.720 ( 2.525 6.327 -8.731) 11.074 9.090 ( 10.884 -4.081 0.768) 11.649 9.471 ( 5.843 -2.434 -2.961) 6.988 9.581 ( 3.683 -9.830 -1.227) 10.569 9.824 ( 6.474 10.368 -1.437) 12.308 10.278 ( -2.796 -3.199 -2.521) 4.940 11.179 ( -3.313 7.584 -4.420) 9.382 11.194 ( -0.816 11.550 -12.620) 17.127 11.498 ( -4.976 -7.433 2.532) 9.296 12.410 ( -7.009 9.124 -2.299) 11.733 12.648 ( -7.632 -6.388 -3.318) 10.491 13.228 ( -7.143 4.566 -10.715) 13.663 13.320 ( -1.332 -1.249 -14.889) 15.000 13.603 ( -4.758 13.451 -1.788) 14.380 13.752 ( 3.851 3.447 -9.447) 10.768 14.180 ( 2.705 -5.740 7.799) 10.054 14.538 ( -3.238 -13.677 12.120) 18.559 14.736 ( 3.062 -5.022 -1.708) 6.125 15.339 ( -1.057 -4.100 -1.744) 4.579 15.486 ( 6.432 -1.737 2.917) 7.273 15.668 ( 10.647 -0.464 3.996) 11.381 15.931 ( 0.399 -2.570 -7.246) 7.698 16.086 ( 3.051 -3.918 0.241) 4.972 16.171 ( 3.764 -1.878 -3.295) 5.344 17.198 ( -5.147 4.374 3.526) 7.619 17.522 ( -10.519 -2.125 5.335) 11.985 18.056 ( 14.478 5.412 20.484) 25.662 ======================= Grid point 198 (59/131) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -13.732 -10.124 4.353) 17.607 1.695 ( -1.347 -8.497 19.771) 21.562 1.748 ( -14.392 -9.506 3.720) 17.644 2.216 ( 0.778 -1.553 -3.789) 4.168 3.146 ( -34.047 -5.383 1.583) 34.506 3.631 ( 20.913 2.722 -1.016) 21.114 3.736 ( 21.468 2.451 -0.201) 21.608 4.749 ( 5.603 4.984 -1.336) 7.617 4.960 ( -0.064 -4.162 1.537) 4.438 5.557 ( 7.018 1.196 -2.865) 7.674 5.599 ( -4.926 1.032 -2.165) 5.479 6.277 ( 10.823 -0.774 1.739) 10.989 6.577 ( 1.125 -2.663 -4.879) 5.671 6.793 ( -1.500 2.061 -0.748) 2.657 7.212 ( -3.957 1.426 -2.735) 5.017 7.530 ( -11.765 -1.106 2.477) 12.074 8.399 ( -7.899 5.811 -6.182) 11.592 8.562 ( 3.662 7.971 -1.121) 8.843 8.847 ( 3.011 7.980 -10.039) 13.173 9.267 ( 9.379 1.421 2.185) 9.734 9.446 ( -2.718 -6.570 -7.192) 10.113 9.559 ( 5.749 -11.615 1.473) 13.044 10.052 ( 8.792 6.444 -3.455) 11.435 10.276 ( 6.857 -2.966 1.051) 7.544 11.102 ( -5.398 -4.803 -0.723) 7.261 11.270 ( -7.323 11.029 -4.759) 14.069 11.424 ( 3.524 0.068 -4.170) 5.460 12.368 ( -9.331 9.745 -1.087) 13.536 12.431 ( -8.198 -8.157 -2.944) 11.934 12.961 ( -20.826 0.060 -30.768) 37.153 13.373 ( 2.429 1.156 -0.175) 2.695 13.679 ( -0.879 11.775 -1.253) 11.874 13.804 ( -0.200 -1.737 -3.516) 3.927 14.205 ( 4.756 -4.070 4.249) 7.566 14.355 ( -2.810 -7.177 13.011) 15.123 14.708 ( -1.743 -3.944 -3.567) 5.596 15.319 ( 2.233 -1.785 -1.960) 3.466 15.557 ( 4.836 -2.697 4.178) 6.937 15.815 ( 3.671 0.086 -0.018) 3.672 15.953 ( 4.719 -0.005 -1.031) 4.830 16.146 ( 7.218 -2.620 2.658) 8.126 16.209 ( 1.968 -0.329 -5.833) 6.165 17.082 ( -8.099 -2.504 5.433) 10.069 17.338 ( -11.329 2.261 -2.172) 11.755 18.433 ( 22.567 5.300 26.265) 35.032 ======================= Grid point 203 (60/131) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.102 -2.070 2.797) 3.481 1.737 ( 1.854 6.981 1.208) 7.324 1.986 ( 6.920 16.064 -0.024) 17.492 2.192 ( 2.504 -3.054 -2.735) 4.804 3.254 ( -12.299 -18.507 -1.586) 22.278 3.350 ( -9.744 -17.320 -0.576) 19.881 3.706 ( 14.004 25.839 -3.402) 29.586 4.710 ( 0.890 -6.856 -1.075) 6.996 4.866 ( -5.329 -2.833 -1.306) 6.175 5.498 ( 0.157 -0.329 2.938) 2.961 5.656 ( -0.304 1.405 0.238) 1.457 6.073 ( -5.612 -8.701 3.014) 10.783 6.537 ( -1.691 0.051 -6.868) 7.073 6.887 ( 3.215 5.674 1.970) 6.813 7.267 ( 1.153 0.763 -0.413) 1.442 7.782 ( 9.582 12.604 2.857) 16.088 8.494 ( -0.168 2.333 -7.012) 7.392 8.622 ( 4.394 -1.147 1.942) 4.939 8.838 ( 1.167 -9.476 -3.488) 10.164 9.080 ( -2.758 -12.923 -4.292) 13.894 9.324 ( -10.780 -3.832 3.956) 12.106 9.471 ( 0.053 6.136 -4.479) 7.597 9.841 ( -11.074 -0.754 -0.133) 11.100 10.315 ( 7.012 -1.870 -3.799) 8.191 11.147 ( -1.547 7.635 -5.820) 9.724 11.338 ( -5.975 6.227 -3.029) 9.146 11.502 ( 11.427 -6.039 -7.523) 14.954 12.496 ( -2.370 11.448 -3.263) 12.138 12.636 ( 13.769 1.852 -0.189) 13.894 13.258 ( -4.596 0.757 -10.752) 11.717 13.318 ( 8.546 6.422 -16.833) 19.940 13.699 ( -3.947 0.286 -9.669) 10.447 13.814 ( -1.885 0.097 -8.471) 8.679 14.205 ( 10.124 -2.472 11.803) 15.745 14.313 ( -5.574 3.598 15.571) 16.925 14.682 ( -0.925 -2.538 -1.037) 2.893 15.274 ( -1.791 0.610 -3.137) 3.663 15.448 ( -3.053 -3.209 4.064) 6.011 15.655 ( -6.379 -9.759 4.458) 12.482 15.934 ( 1.478 -1.755 -6.728) 7.108 16.050 ( -1.000 -2.690 1.905) 3.444 16.163 ( -1.405 -3.503 -6.693) 7.684 17.201 ( 1.282 9.389 7.816) 12.284 17.531 ( 6.298 5.564 0.911) 8.453 18.112 ( -8.412 -14.385 21.769) 27.415 ======================= Grid point 204 (61/131) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.674 -3.185 -6.242) 7.040 1.842 ( 4.871 1.530 -3.570) 6.230 2.067 ( 2.020 -7.855 -9.412) 12.424 2.443 ( 17.108 9.782 2.532) 19.869 2.848 ( -15.014 -14.080 -1.141) 20.615 3.062 ( -2.298 -13.822 -0.153) 14.012 4.168 ( 11.383 18.958 -4.619) 22.590 4.558 ( -13.590 -1.405 -3.618) 14.133 4.805 ( 5.141 -8.760 -0.981) 10.204 5.527 ( -2.526 6.282 4.055) 7.893 5.650 ( 0.984 0.302 3.856) 3.991 5.924 ( -0.315 -10.084 2.736) 10.454 6.520 ( -0.231 0.091 -7.751) 7.755 6.980 ( -2.742 10.311 4.238) 11.480 7.276 ( 1.592 -3.017 1.212) 3.621 8.076 ( 6.333 13.624 2.252) 15.192 8.450 ( -8.030 1.559 1.353) 8.291 8.639 ( -1.150 4.240 -4.078) 5.994 8.741 ( 3.279 -13.530 -2.337) 14.116 8.924 ( -5.504 -7.429 -2.772) 9.652 9.180 ( 3.827 -8.137 3.872) 9.790 9.566 ( 1.541 7.140 -4.105) 8.379 9.720 ( -3.933 2.804 1.496) 5.056 10.384 ( 1.649 -1.365 -5.148) 5.576 11.207 ( -0.507 7.688 -12.110) 14.353 11.307 ( -5.137 7.637 -7.687) 11.992 11.570 ( 3.712 -7.102 -4.136) 9.018 12.572 ( -2.474 11.261 -1.855) 11.678 12.848 ( 6.039 1.068 -0.166) 6.135 13.087 ( -4.075 -6.798 -1.935) 8.159 13.554 ( 6.256 6.666 -17.949) 20.143 13.617 ( -6.046 3.214 -14.408) 15.953 13.759 ( -3.045 0.171 -12.891) 13.247 14.241 ( -5.952 3.032 16.499) 17.800 14.399 ( 11.934 -3.247 7.954) 14.705 14.627 ( 0.762 -7.691 7.018) 10.440 15.284 ( 2.361 0.690 -1.372) 2.817 15.407 ( 1.616 -3.393 3.049) 4.839 15.459 ( -4.874 -6.892 4.057) 9.366 15.932 ( 0.523 -2.063 -8.717) 8.973 16.048 ( 2.238 -0.927 -0.466) 2.466 16.092 ( -2.026 -3.589 -5.882) 7.182 17.304 ( -0.631 9.068 9.013) 12.801 17.681 ( 6.424 2.475 6.361) 9.373 17.856 ( -7.396 -8.430 15.081) 18.794 ======================= Grid point 205 (62/131) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.336 -1.642 -6.282) 6.629 1.863 ( -1.708 -5.063 -3.497) 6.386 2.069 ( 6.507 -5.060 -8.862) 12.103 2.409 ( -18.675 -7.289 1.098) 20.077 2.883 ( 20.393 3.782 -0.122) 20.741 3.050 ( 12.437 -4.930 -0.282) 13.382 4.185 ( -21.946 -2.020 -4.800) 22.555 4.522 ( 6.360 12.308 -3.006) 14.177 4.824 ( 6.497 -8.438 -1.481) 10.752 5.512 ( -4.366 4.978 3.871) 7.670 5.680 ( -0.111 -0.608 4.252) 4.297 5.914 ( 9.103 -4.877 2.695) 10.673 6.528 ( 0.959 -0.323 -8.088) 8.151 6.980 ( -7.583 7.634 4.418) 11.632 7.273 ( 1.436 -2.724 1.527) 3.437 8.052 ( -16.237 2.875 1.071) 16.524 8.488 ( 3.592 9.242 2.371) 10.195 8.617 ( -1.923 -3.662 -0.584) 4.178 8.723 ( 0.562 0.329 -4.809) 4.853 8.852 ( 8.003 -1.035 -4.232) 9.112 9.239 ( 10.366 -9.002 4.030) 14.309 9.577 ( -4.856 1.319 -2.703) 5.712 9.774 ( 5.099 1.831 0.872) 5.488 10.344 ( -4.136 0.126 -6.048) 7.329 11.242 ( -2.724 1.658 -12.083) 12.496 11.346 ( -0.302 10.421 -11.309) 15.382 11.501 ( -2.633 -6.584 -0.060) 7.092 12.619 ( -4.689 9.298 -1.339) 10.499 12.748 ( -10.037 -3.387 -0.906) 10.632 13.136 ( 9.868 -2.456 -1.735) 10.316 13.501 ( -9.606 2.714 -19.022) 21.482 13.701 ( 2.240 -0.180 -12.420) 12.622 13.744 ( 1.861 4.056 -14.975) 15.626 14.189 ( -4.610 5.929 15.137) 16.897 14.440 ( -0.365 -10.803 11.430) 15.732 14.616 ( 5.837 -3.600 6.225) 9.262 15.309 ( -0.541 -4.003 -2.011) 4.512 15.382 ( 3.640 -0.192 3.047) 4.752 15.478 ( 8.166 -1.300 4.654) 9.488 15.917 ( -0.232 -0.463 -9.427) 9.441 16.039 ( -0.264 -1.671 -1.773) 2.450 16.097 ( 3.597 -0.491 -4.120) 5.492 17.330 ( -4.926 3.760 9.237) 11.123 17.649 ( -6.865 -2.357 6.494) 9.739 17.868 ( 10.574 1.146 14.690) 18.136 ======================= Grid point 209 (63/131) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -10.358 21.050 8.256) 24.871 1.600 ( -12.213 20.175 15.378) 28.155 1.742 ( -10.049 19.006 13.405) 25.336 2.269 ( -6.037 7.458 -2.300) 9.867 2.448 ( -13.171 23.608 21.191) 34.349 4.042 ( 8.689 -16.042 0.368) 18.248 4.088 ( 10.720 -16.262 0.280) 19.479 4.850 ( -0.140 4.517 3.551) 5.748 4.973 ( -6.512 2.180 2.988) 7.489 5.414 ( 0.276 0.992 -10.059) 10.112 5.733 ( 4.662 -5.575 -9.299) 11.802 6.334 ( 8.029 -9.455 -2.212) 12.600 6.670 ( 2.060 1.105 -1.269) 2.660 6.942 ( -0.347 -0.717 -6.351) 6.401 7.039 ( -0.672 0.228 -6.893) 6.930 7.315 ( -1.408 7.492 11.458) 13.762 8.123 ( -14.143 8.280 -10.557) 19.495 8.562 ( 0.247 -4.483 -15.679) 16.309 9.050 ( -5.863 -14.069 -3.118) 15.557 9.300 ( 6.040 -1.864 4.189) 7.583 9.408 ( -1.829 12.053 -2.658) 12.478 9.756 ( 0.723 7.351 -9.240) 11.829 9.962 ( 6.594 -11.532 -3.124) 13.646 10.545 ( 21.237 -11.246 5.419) 24.634 10.878 ( -4.844 0.116 -4.830) 6.842 11.103 ( 3.619 -7.826 3.110) 9.166 11.653 ( 0.380 -7.870 -4.977) 9.320 12.022 ( -3.285 11.847 -9.453) 15.509 12.263 ( -9.063 11.229 1.080) 14.470 12.623 ( -10.480 10.237 -20.858) 25.489 13.286 ( 3.224 -5.432 5.735) 8.532 13.508 ( 4.072 -5.519 -2.798) 7.407 13.849 ( 3.063 -3.766 -0.029) 4.855 14.366 ( -2.579 3.870 3.045) 5.559 14.428 ( -5.672 6.921 7.203) 11.487 14.671 ( -5.692 12.203 -1.926) 13.602 15.405 ( 1.853 -2.839 -0.435) 3.418 15.634 ( 2.789 -1.002 4.603) 5.474 15.812 ( -2.497 3.215 0.269) 4.080 16.103 ( -0.469 -2.494 -0.827) 2.669 16.228 ( -2.307 6.343 -5.194) 8.517 16.512 ( -2.368 1.733 5.186) 5.959 16.878 ( 3.994 4.701 1.224) 6.289 17.010 ( -6.953 2.710 -4.412) 8.670 18.907 ( 16.217 -28.187 25.600) 41.387 ======================= Grid point 213 (64/131) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 -0.000 -10.063) 10.063 1.918 ( -2.682 -5.363 -8.127) 10.100 1.918 ( 2.682 5.363 -8.127) 10.100 2.648 ( -4.155 -8.311 -0.324) 9.297 2.648 ( 4.155 8.311 -0.324) 9.297 2.868 ( 0.000 -0.000 1.605) 1.605 4.410 ( 0.000 0.000 -2.532) 2.532 4.608 ( -4.133 -8.266 -3.611) 9.922 4.608 ( 4.133 8.266 -3.611) 9.922 5.662 ( -0.528 -1.057 4.484) 4.637 5.662 ( 0.528 1.057 4.484) 4.637 5.739 ( 0.000 -0.000 2.761) 2.761 6.520 ( -0.000 -0.000 -8.243) 8.243 7.167 ( -3.426 -6.851 3.791) 8.547 7.167 ( 3.426 6.851 3.791) 8.547 8.371 ( -6.554 -13.108 0.531) 14.665 8.371 ( 6.554 13.108 0.531) 14.665 8.518 ( 0.000 -0.000 3.717) 3.717 8.793 ( -2.445 -4.891 -8.502) 10.108 8.793 ( 2.445 4.891 -8.502) 10.108 9.063 ( 0.000 0.000 12.768) 12.768 9.693 ( -2.209 -4.419 -0.732) 4.994 9.693 ( 2.209 4.419 -0.732) 4.994 10.379 ( 0.000 -0.000 -6.504) 6.504 11.291 ( -0.000 -0.000 -17.362) 17.362 11.439 ( -2.289 -4.577 -5.596) 7.583 11.439 ( 2.289 4.577 -5.596) 7.583 12.719 ( -0.000 -0.000 -1.048) 1.048 12.922 ( -4.103 -8.207 -0.177) 9.177 12.922 ( 4.103 8.207 -0.177) 9.177 13.645 ( -1.466 -2.932 -14.618) 14.981 13.645 ( 1.466 2.932 -14.618) 14.981 13.722 ( -0.000 0.000 -20.192) 20.192 14.350 ( -2.076 -4.152 10.009) 11.033 14.350 ( 2.076 4.152 10.009) 11.033 14.505 ( -0.000 -0.000 16.873) 16.873 15.317 ( -1.316 -2.633 0.604) 3.005 15.317 ( 1.316 2.633 0.604) 3.005 15.408 ( 0.000 -0.000 4.286) 4.286 15.919 ( -0.000 -0.000 -10.917) 10.917 16.046 ( -0.514 -1.028 -3.100) 3.307 16.046 ( 0.514 1.028 -3.100) 3.307 17.409 ( -0.000 -0.000 13.178) 13.178 17.731 ( -1.869 -3.739 8.777) 9.722 17.731 ( 1.869 3.739 8.777) 9.722 ======================= Grid point 219 (65/131) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -6.827 20.586 2.746) 21.862 1.982 ( -9.017 19.311 10.096) 23.583 2.120 ( -11.350 18.049 10.064) 23.577 2.451 ( -5.544 8.603 -4.795) 11.303 3.076 ( -23.866 29.427 8.059) 38.736 3.694 ( 13.133 -13.136 -0.252) 18.577 3.727 ( 12.257 -14.903 -0.058) 19.296 4.859 ( 3.715 2.220 2.347) 4.924 5.071 ( -1.551 1.797 3.317) 4.079 5.432 ( -4.378 -3.336 -6.875) 8.806 5.585 ( 6.691 -3.404 -4.411) 8.707 6.091 ( 6.213 -12.682 -0.638) 14.137 6.599 ( 6.359 3.499 1.479) 7.407 6.906 ( 3.915 -0.867 -4.037) 5.690 7.071 ( -3.300 -1.552 -8.541) 9.287 7.475 ( -8.850 5.385 8.501) 13.401 8.287 ( -4.358 -4.283 -6.242) 8.735 8.543 ( -1.897 -4.462 -13.250) 14.109 8.949 ( -2.172 -14.763 -3.144) 15.249 9.177 ( 4.729 -3.577 8.668) 10.503 9.446 ( 10.330 -9.934 -9.011) 16.929 9.593 ( 11.459 3.474 2.803) 12.298 9.883 ( 0.717 6.897 -8.596) 11.044 10.266 ( 0.073 -6.792 5.830) 8.952 10.918 ( 5.994 -3.689 -3.342) 7.792 10.965 ( -2.164 -2.190 -5.087) 5.946 11.568 ( -0.961 -8.901 -7.287) 11.543 12.244 ( -6.043 12.077 -7.197) 15.303 12.535 ( -10.163 7.360 0.496) 12.558 12.845 ( -8.217 1.089 -15.583) 17.650 13.153 ( 1.808 -8.896 -4.476) 10.121 13.444 ( -0.382 -3.365 -6.869) 7.658 13.697 ( 7.850 -5.458 -0.794) 9.594 14.522 ( -7.484 8.266 5.206) 12.306 14.547 ( -0.046 7.694 6.942) 10.363 14.890 ( -5.282 10.324 -6.045) 13.078 15.356 ( 1.983 0.544 -0.138) 2.061 15.574 ( 3.133 -0.028 4.899) 5.815 15.842 ( 1.411 -1.352 3.376) 3.901 16.095 ( 0.027 1.392 -1.511) 2.055 16.308 ( -1.022 2.804 -8.672) 9.171 16.543 ( 3.773 6.253 10.043) 12.418 16.857 ( 2.995 4.126 -0.305) 5.108 17.203 ( -12.898 -0.106 -1.222) 12.956 18.381 ( 15.377 -19.436 25.827) 35.795 ======================= Grid point 220 (66/131) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -12.070 17.484 5.909) 22.052 1.985 ( -10.325 19.722 5.378) 22.902 2.107 ( -11.240 17.131 11.706) 23.598 2.406 ( -7.887 6.645 -4.212) 11.140 3.092 ( -12.334 36.290 7.840) 39.122 3.690 ( 4.697 -17.597 -0.280) 18.215 3.741 ( 7.918 -18.024 -0.009) 19.687 4.895 ( -4.826 -2.721 1.132) 5.654 4.991 ( -2.749 1.934 2.551) 4.220 5.417 ( 4.524 -1.174 -3.944) 6.116 5.613 ( 1.530 -6.086 -4.239) 7.573 6.140 ( 11.417 -9.104 -1.842) 14.718 6.688 ( -1.372 0.896 -0.407) 1.688 6.871 ( -2.803 -4.683 -5.512) 7.757 7.046 ( 2.566 0.082 -5.364) 5.946 7.514 ( 0.786 11.540 11.163) 16.075 8.151 ( -3.832 -3.919 -7.763) 9.503 8.489 ( 0.333 -3.483 -11.087) 11.625 8.749 ( -0.783 -12.014 -5.153) 13.096 9.244 ( 5.061 -3.759 7.331) 9.669 9.531 ( 6.672 -3.650 -7.826) 10.912 9.764 ( 4.193 -1.283 -3.183) 5.418 9.894 ( -2.609 0.179 -3.455) 4.333 10.317 ( 11.765 -8.536 5.920) 15.695 10.879 ( -4.030 -0.296 -5.446) 6.781 11.008 ( 7.724 -2.586 -2.998) 8.679 11.514 ( 1.978 -5.133 -8.226) 9.896 12.212 ( -6.887 7.265 -4.348) 10.914 12.537 ( -3.476 13.332 0.318) 13.781 12.792 ( -1.344 7.465 -18.682) 20.164 13.160 ( 8.034 -6.058 -2.279) 10.317 13.426 ( 1.841 -3.392 -6.806) 7.824 13.759 ( 5.178 -5.136 -2.195) 7.617 14.445 ( -8.098 3.652 4.612) 10.009 14.593 ( -4.774 10.048 7.922) 13.657 14.884 ( -6.245 8.006 -5.494) 11.545 15.373 ( -0.242 0.101 0.154) 0.304 15.616 ( 1.748 -1.096 4.016) 4.515 15.835 ( 0.038 -2.038 2.919) 3.560 16.063 ( -3.537 -0.461 -3.388) 4.919 16.290 ( -2.688 -0.250 -5.184) 5.845 16.525 ( -8.659 -0.306 8.458) 12.109 17.043 ( -3.645 0.504 -4.179) 5.568 17.065 ( 7.863 12.717 2.891) 15.228 18.380 ( 9.019 -23.068 25.779) 35.749 ======================= Grid point 229 (67/131) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 1.130 18.011 -0.290) 18.048 2.286 ( -4.151 17.612 4.646) 18.681 2.516 ( -14.150 14.566 5.422) 21.019 2.612 ( -2.007 9.845 -5.882) 11.642 3.322 ( 15.962 -11.685 0.808) 19.799 3.395 ( 8.768 -8.803 -1.332) 12.496 3.782 ( -21.403 27.297 -0.573) 34.693 4.727 ( 14.238 1.210 -2.487) 14.504 5.084 ( -0.078 0.069 4.364) 4.365 5.443 ( 6.006 -2.127 0.475) 6.390 5.483 ( -4.602 -4.977 0.542) 6.800 5.905 ( -1.495 -13.466 -1.110) 13.594 6.574 ( 2.436 7.713 3.002) 8.628 6.813 ( 5.783 0.737 -0.862) 5.893 7.096 ( -3.187 -5.146 -9.860) 11.570 7.698 ( -10.500 3.239 6.621) 12.829 8.219 ( 3.777 -8.495 -0.771) 9.329 8.528 ( -1.158 -5.056 -10.434) 11.652 8.862 ( -0.000 -13.368 -7.590) 15.372 8.992 ( 9.066 -4.987 -2.237) 10.586 9.160 ( -1.507 -9.060 3.182) 9.720 9.547 ( 4.469 6.906 4.312) 9.288 9.922 ( 1.287 3.198 -4.612) 5.757 10.286 ( -4.347 -2.165 1.828) 5.189 10.780 ( 2.682 -3.899 -6.694) 8.197 10.990 ( -0.509 -0.018 -9.482) 9.496 11.505 ( -3.612 -11.837 -7.728) 14.590 12.433 ( -1.441 10.516 -4.513) 11.533 12.701 ( -3.654 -0.645 0.291) 3.722 12.938 ( -6.068 -5.680 -9.719) 12.788 13.109 ( -5.825 -4.985 -9.187) 11.966 13.402 ( 3.739 -5.016 -4.618) 7.776 13.531 ( 2.139 -3.126 -6.068) 7.154 14.594 ( 4.409 9.250 7.381) 12.629 14.757 ( -7.787 9.674 5.107) 13.428 15.027 ( 0.195 6.167 -4.134) 7.427 15.364 ( -0.808 3.834 -0.708) 3.982 15.543 ( 0.599 1.377 5.098) 5.315 15.736 ( 6.421 -4.030 4.991) 9.076 16.126 ( 0.131 3.636 -5.582) 6.663 16.310 ( 3.489 1.731 -9.876) 10.616 16.517 ( 5.179 5.796 9.859) 12.555 16.873 ( -0.065 4.345 -0.974) 4.453 17.437 ( -13.861 -0.272 5.831) 15.040 17.981 ( 11.745 -13.922 21.133) 27.900 ======================= Grid point 230 (68/131) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -6.841 15.452 1.603) 16.975 2.339 ( -8.572 16.856 2.056) 19.022 2.454 ( -9.691 15.345 5.199) 18.879 2.614 ( -7.004 7.086 -3.797) 10.663 3.409 ( 9.133 -13.735 0.237) 16.496 3.426 ( 7.963 -14.549 -0.692) 16.600 3.742 ( -18.903 33.724 1.883) 38.707 4.905 ( 2.524 1.042 3.330) 4.307 5.058 ( -2.726 -2.547 0.852) 3.827 5.347 ( -1.325 -4.459 -0.751) 4.712 5.516 ( 3.600 -3.716 -1.098) 5.289 5.841 ( 10.007 -11.361 -0.560) 15.150 6.712 ( 2.732 7.250 1.223) 7.843 6.841 ( 0.128 -3.660 -3.479) 5.051 7.030 ( -1.352 -3.279 -7.125) 7.959 7.634 ( -2.561 10.394 8.648) 13.762 8.166 ( -2.663 -7.286 -4.172) 8.808 8.422 ( -0.290 -9.429 -6.856) 11.661 8.690 ( -3.825 -7.135 -7.392) 10.963 9.094 ( 6.387 -4.884 11.629) 14.138 9.198 ( 15.957 -11.220 -15.373) 24.836 9.715 ( 7.557 4.677 5.905) 10.670 9.876 ( -2.840 -6.872 -0.522) 7.454 10.250 ( -2.517 5.042 -1.693) 5.884 10.836 ( 5.960 -1.061 -6.060) 8.565 10.962 ( -3.364 -1.580 -7.190) 8.093 11.386 ( 3.699 -8.151 -12.694) 15.532 12.428 ( -8.040 6.292 -3.567) 10.814 12.700 ( -1.807 5.990 -0.469) 6.275 12.857 ( -0.071 2.383 -10.560) 10.826 12.994 ( 1.020 -6.313 -7.331) 9.728 13.383 ( -0.152 -3.044 -8.392) 8.929 13.589 ( 7.390 -5.074 -2.692) 9.360 14.667 ( -10.575 6.411 5.121) 13.385 14.739 ( -0.231 10.662 7.431) 12.998 15.047 ( -4.071 4.695 -4.297) 7.555 15.394 ( -0.297 3.325 0.473) 3.371 15.571 ( 1.817 -0.624 4.151) 4.574 15.768 ( 2.912 -5.451 5.668) 8.385 16.135 ( -2.714 2.272 -6.730) 7.604 16.331 ( -2.127 -0.118 -7.047) 7.361 16.573 ( 1.662 -1.789 4.913) 5.487 17.069 ( 6.891 14.365 5.265) 16.779 17.183 ( -12.476 -1.418 2.409) 12.785 18.015 ( 9.671 -16.664 21.686) 29.008 ======================= Grid point 231 (69/131) ======================= q-point: (-0.11 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -15.805 6.066 1.378) 16.985 2.348 ( -10.529 13.695 0.865) 17.296 2.482 ( -7.938 19.479 5.926) 21.853 2.534 ( -9.053 6.462 -3.346) 11.615 3.358 ( 3.142 -19.121 0.584) 19.386 3.385 ( 3.380 -12.105 -1.098) 12.616 3.806 ( -11.666 32.727 -1.221) 34.765 4.726 ( -11.172 -13.479 -3.468) 17.847 5.048 ( 0.724 2.640 4.452) 5.226 5.372 ( 4.835 -2.545 2.154) 5.873 5.509 ( 1.878 -3.572 1.482) 4.299 5.985 ( 14.062 -6.293 -2.584) 15.621 6.707 ( -7.201 1.045 -1.126) 7.363 6.772 ( -3.805 -5.172 -1.431) 6.578 7.057 ( 7.114 1.147 -4.265) 8.374 7.745 ( -1.213 10.011 6.569) 12.035 8.049 ( 2.738 -3.612 -0.561) 4.567 8.412 ( 5.277 -2.584 -5.716) 8.197 8.624 ( 0.266 -1.619 -9.657) 9.795 9.143 ( 4.917 -6.032 6.041) 9.851 9.361 ( 13.739 -9.730 -11.811) 20.566 9.721 ( -5.263 -6.670 0.152) 8.498 9.865 ( 2.759 0.753 1.940) 3.456 10.265 ( 0.717 1.780 1.774) 2.614 10.853 ( -1.372 -2.906 -7.664) 8.311 10.972 ( 7.494 -0.691 -8.062) 11.029 11.453 ( 7.467 -1.080 -7.747) 10.814 12.348 ( -7.317 6.548 -2.100) 10.041 12.709 ( -1.450 3.476 -5.096) 6.337 12.954 ( 3.991 7.716 -7.920) 11.755 13.066 ( 11.415 -2.149 -5.710) 12.943 13.352 ( 0.845 -4.255 -8.208) 9.284 13.651 ( 5.318 -5.254 -4.992) 8.989 14.519 ( -11.605 3.638 5.769) 13.461 14.813 ( -4.036 10.922 6.959) 13.565 14.982 ( -7.006 1.629 -2.956) 7.776 15.416 ( -1.363 4.031 1.221) 4.427 15.572 ( 0.119 -3.711 2.121) 4.276 15.740 ( 0.789 -6.206 4.678) 7.812 16.088 ( -4.765 2.474 -7.956) 9.598 16.259 ( -4.273 -1.778 -5.040) 6.842 16.512 ( -9.048 -0.698 8.179) 12.217 17.012 ( -0.917 -3.064 -6.051) 6.845 17.354 ( 6.503 14.889 10.943) 19.589 17.985 ( 6.213 -16.442 20.341) 26.883 ======================= Grid point 237 (70/131) ======================= q-point: (-0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 8.229 15.319 -1.529) 17.456 2.453 ( 4.191 13.287 2.036) 14.080 2.631 ( 6.064 4.867 -5.221) 9.366 2.893 ( 11.706 -5.362 1.617) 12.977 2.963 ( -9.496 8.621 2.460) 13.059 3.263 ( -0.956 -2.412 -1.529) 3.012 4.352 ( -13.555 22.427 -4.403) 26.572 4.376 ( 25.173 -1.301 -4.761) 25.652 5.082 ( 0.194 -0.983 5.285) 5.379 5.356 ( 0.854 -2.014 3.616) 4.226 5.481 ( -2.000 -4.350 4.512) 6.579 5.888 ( -9.915 -11.379 -2.709) 15.334 6.658 ( -1.515 8.862 1.609) 9.133 6.740 ( 5.776 5.100 0.320) 7.712 7.083 ( -3.175 -7.914 -7.444) 11.319 7.843 ( -1.428 0.888 2.949) 3.395 8.067 ( 1.554 -7.868 3.918) 8.926 8.449 ( 0.542 -10.290 -4.107) 11.093 8.654 ( 5.116 -2.877 -9.814) 11.435 9.019 ( -8.610 -3.127 -4.307) 10.122 9.196 ( -10.222 -6.344 -0.125) 12.031 9.587 ( -1.486 6.961 1.935) 7.376 9.903 ( 1.492 -1.415 -0.545) 2.127 10.307 ( 1.336 0.152 0.276) 1.372 10.775 ( -3.060 1.302 -9.041) 9.633 10.982 ( -0.928 -3.670 -10.257) 10.934 11.460 ( -4.686 -11.063 -7.316) 14.067 12.463 ( 7.232 5.335 -1.867) 9.179 12.720 ( -2.541 -2.508 -4.892) 6.056 12.977 ( -6.486 -7.610 -5.687) 11.503 13.161 ( -0.061 -8.716 -9.003) 12.531 13.270 ( 0.093 0.956 -3.813) 3.932 13.558 ( -5.398 -1.901 -7.772) 9.652 14.580 ( 7.937 9.513 7.057) 14.258 14.940 ( -1.826 7.643 2.328) 8.195 14.995 ( 7.206 1.382 2.200) 7.660 15.452 ( -3.406 4.060 0.963) 5.386 15.540 ( 4.675 -0.567 4.232) 6.332 15.633 ( -2.071 1.056 2.351) 3.306 16.138 ( 2.970 2.684 -8.159) 9.088 16.251 ( 3.988 3.120 -7.890) 9.375 16.503 ( 3.951 7.031 8.943) 12.043 16.937 ( -2.512 3.331 -3.395) 5.379 17.632 ( 2.672 -7.932 15.076) 17.244 17.716 ( -6.875 -3.354 14.128) 16.066 ======================= Grid point 239 (71/131) ======================= q-point: (-0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 1.985 12.750 -1.724) 13.018 2.597 ( -3.054 12.240 -0.767) 12.638 2.709 ( -2.533 5.654 -1.544) 6.385 2.809 ( -9.645 9.240 -0.753) 13.378 3.101 ( 12.602 -8.923 1.870) 15.554 3.211 ( 1.841 -9.413 -0.837) 9.628 4.361 ( -15.030 27.846 -2.029) 31.709 4.778 ( 16.782 3.113 -0.898) 17.092 5.039 ( -1.755 -4.718 3.357) 6.050 5.346 ( -0.786 -4.922 3.851) 6.298 5.439 ( 1.666 -0.824 1.960) 2.701 5.625 ( -2.407 -13.682 -0.294) 13.895 6.737 ( 1.583 5.379 -1.881) 5.914 6.846 ( -0.343 4.165 0.503) 4.210 6.996 ( 0.669 -4.435 -4.769) 6.546 7.807 ( -5.595 8.351 4.397) 10.972 8.068 ( 5.100 -5.954 -0.420) 7.851 8.322 ( -1.414 -14.599 -3.114) 14.994 8.707 ( 0.067 -0.821 -12.666) 12.693 8.896 ( 3.283 -5.021 -7.376) 9.508 8.992 ( -2.219 -7.963 8.363) 11.759 9.657 ( 2.768 4.178 3.198) 5.945 9.845 ( -1.384 -7.186 1.986) 7.583 10.359 ( -0.892 6.158 -4.852) 7.891 10.790 ( 0.826 4.780 -8.332) 9.641 10.971 ( 1.186 -2.149 -9.403) 9.718 11.262 ( -2.260 -11.348 -14.213) 18.327 12.594 ( -3.398 5.494 -4.309) 7.765 12.678 ( 4.442 -1.201 -1.814) 4.947 12.827 ( -1.939 -5.358 -7.881) 9.725 13.052 ( -5.423 -0.515 -7.670) 9.407 13.337 ( 4.138 -0.903 -4.202) 5.965 13.464 ( -0.631 -3.937 -5.918) 7.136 14.798 ( 4.873 10.485 6.639) 13.333 14.917 ( -8.635 5.913 5.254) 11.711 15.083 ( 2.578 -0.896 0.842) 2.856 15.453 ( -1.460 4.669 0.776) 4.953 15.563 ( -1.240 0.389 4.693) 4.870 15.644 ( 4.436 -4.731 4.109) 7.678 16.188 ( -0.272 2.445 -8.995) 9.325 16.345 ( 2.277 2.083 -8.033) 8.605 16.510 ( -0.481 -4.105 0.579) 4.173 17.098 ( 6.850 15.061 7.196) 18.043 17.424 ( -15.405 -0.879 9.708) 18.230 17.699 ( 9.066 -14.123 16.863) 23.791 ======================= Grid point 240 (72/131) ======================= q-point: (-0.22 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -11.435 4.156 -1.504) 12.259 2.616 ( -6.780 8.218 -3.379) 11.177 2.713 ( -5.508 2.632 -2.151) 6.472 2.766 ( -5.134 15.339 3.334) 16.515 3.125 ( 2.143 -15.028 0.247) 15.182 3.202 ( 7.523 -5.629 -0.126) 9.397 4.368 ( -15.843 26.895 -2.344) 31.302 4.786 ( -11.156 -14.248 -0.844) 18.116 5.034 ( 4.217 0.230 2.901) 5.124 5.297 ( 1.655 0.544 3.920) 4.289 5.445 ( 1.192 -2.508 3.325) 4.332 5.659 ( 14.936 -6.250 -0.986) 16.221 6.773 ( -0.612 -1.993 -7.034) 7.336 6.860 ( -5.971 3.971 3.065) 7.798 6.961 ( 2.811 -1.823 -2.043) 3.924 7.865 ( -1.271 10.711 5.068) 11.918 8.001 ( -2.996 -8.125 -0.007) 8.660 8.259 ( 8.430 -2.985 -3.641) 9.655 8.657 ( -3.628 1.839 -11.388) 12.093 8.964 ( 6.994 -7.695 -4.963) 11.522 9.028 ( 13.228 -4.976 3.047) 14.458 9.715 ( -1.901 -5.440 2.645) 6.340 9.794 ( 4.912 2.084 3.148) 6.196 10.359 ( -4.984 3.762 -4.602) 7.757 10.867 ( -1.424 -0.741 -6.824) 7.010 10.898 ( -0.464 -0.128 -11.109) 11.119 11.265 ( 10.176 -3.532 -14.158) 17.790 12.542 ( -6.706 5.656 -1.993) 8.996 12.708 ( 0.643 -2.802 -6.453) 7.064 12.857 ( 8.058 -3.709 -6.000) 10.709 13.019 ( -0.439 6.944 -5.944) 9.151 13.319 ( -1.881 -2.705 -6.586) 7.364 13.499 ( 6.436 -3.641 -4.788) 8.809 14.771 ( -12.336 3.529 6.088) 14.203 14.948 ( 0.200 9.148 5.674) 10.767 15.065 ( -2.254 -3.015 1.127) 3.930 15.481 ( -1.082 4.147 2.760) 5.098 15.542 ( -0.480 -1.393 1.909) 2.411 15.653 ( 2.362 -5.180 4.848) 7.477 16.181 ( -2.810 1.963 -9.808) 10.390 16.324 ( -4.286 0.074 -6.451) 7.745 16.526 ( 4.269 -2.250 0.378) 4.840 17.134 ( -14.842 -2.025 4.103) 15.531 17.386 ( 7.356 15.224 13.112) 21.396 17.706 ( 8.172 -14.132 15.900) 22.789 ======================= Grid point 249 (73/131) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.000 0.000 -3.121) 3.121 2.748 ( -1.200 -2.399 -3.387) 4.320 2.748 ( 1.200 2.399 -3.387) 4.320 2.984 ( -3.286 -6.571 0.629) 7.374 2.984 ( 3.286 6.571 0.629) 7.374 3.050 ( 0.000 -0.000 2.004) 2.004 4.783 ( 0.000 0.000 2.526) 2.526 4.849 ( -5.431 -10.863 -1.807) 12.279 4.849 ( 5.431 10.863 -1.807) 12.279 5.326 ( -0.000 0.000 1.264) 1.264 5.428 ( -0.175 -0.350 4.183) 4.201 5.428 ( 0.175 0.350 4.183) 4.201 6.768 ( 0.000 0.000 -12.992) 12.992 6.935 ( -0.508 -1.017 4.147) 4.300 6.935 ( 0.508 1.017 4.147) 4.300 7.966 ( 0.000 0.000 0.337) 0.337 8.053 ( -4.605 -9.209 -0.017) 10.296 8.053 ( 4.605 9.209 -0.017) 10.296 8.774 ( -3.087 -6.175 -14.434) 16.000 8.774 ( 3.087 6.175 -14.434) 16.000 8.894 ( 0.000 0.000 17.142) 17.142 9.730 ( -1.479 -2.959 2.754) 4.305 9.730 ( 1.479 2.959 2.754) 4.305 10.432 ( 0.000 -0.000 -6.303) 6.303 10.911 ( -1.472 -2.943 -7.687) 8.362 10.911 ( 1.472 2.943 -7.687) 8.362 11.111 ( 0.000 0.000 -19.873) 19.873 12.658 ( 0.000 0.000 -5.460) 5.460 12.708 ( -2.507 -5.014 -4.631) 7.272 12.708 ( 2.507 5.014 -4.631) 7.272 13.062 ( -0.000 0.000 -6.839) 6.839 13.374 ( -2.001 -4.002 -4.813) 6.571 13.374 ( 2.001 4.002 -4.813) 6.571 14.981 ( -0.000 -0.000 7.204) 7.204 14.991 ( -2.439 -4.877 3.938) 6.726 14.991 ( 2.439 4.877 3.938) 6.726 15.525 ( 0.000 -0.000 4.241) 4.241 15.568 ( -1.088 -2.175 2.770) 3.686 15.568 ( 1.088 2.175 2.770) 3.686 16.216 ( 0.000 -0.000 -10.681) 10.681 16.413 ( -2.211 -4.422 -5.041) 7.060 16.413 ( 2.211 4.422 -5.041) 7.060 17.390 ( -0.000 -0.000 14.910) 14.910 17.418 ( -4.361 -8.723 10.784) 14.540 17.418 ( 4.361 8.723 10.784) 14.540 ======================= Grid point 273 (74/131) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.000 0.000 17.463) 17.463 1.490 ( 0.000 0.000 15.031) 15.031 1.490 ( 0.000 -0.000 15.031) 15.031 2.133 ( 0.000 0.000 -3.483) 3.483 2.702 ( 0.000 0.000 29.906) 29.906 4.628 ( 0.000 0.000 2.763) 2.763 4.628 ( 0.000 -0.000 2.763) 2.763 4.722 ( 0.000 0.000 1.584) 1.584 4.722 ( 0.000 -0.000 1.584) 1.584 5.110 ( 0.000 0.000 -11.992) 11.992 5.629 ( 0.000 0.000 -11.937) 11.937 6.505 ( 0.000 0.000 -3.585) 3.585 6.505 ( 0.000 -0.000 -3.585) 3.585 6.854 ( 0.000 0.000 -4.093) 4.093 6.854 ( -0.000 -0.000 -4.093) 4.093 7.401 ( 0.000 0.000 12.270) 12.270 7.401 ( 0.000 -0.000 12.270) 12.270 8.450 ( 0.000 0.000 -17.327) 17.327 8.450 ( 0.000 -0.000 -17.327) 17.327 9.435 ( 0.000 0.000 2.331) 2.331 9.541 ( 0.000 0.000 -0.964) 0.964 9.541 ( 0.000 -0.000 -0.964) 0.964 10.266 ( 0.000 0.000 2.720) 2.720 10.851 ( 0.000 0.000 -3.153) 3.153 10.851 ( 0.000 -0.000 -3.153) 3.153 11.290 ( 0.000 -0.000 -13.605) 13.605 11.834 ( 0.000 0.000 3.901) 3.901 11.834 ( 0.000 0.000 3.901) 3.901 11.976 ( 0.000 0.000 -1.488) 1.488 11.976 ( 0.000 -0.000 -1.488) 1.488 13.836 ( 0.000 0.000 26.667) 26.667 13.852 ( 0.000 0.000 -0.705) 0.705 13.852 ( 0.000 -0.000 -0.705) 0.705 14.387 ( 0.000 0.000 0.320) 0.320 14.387 ( 0.000 -0.000 0.320) 0.320 14.443 ( 0.000 0.000 20.569) 20.569 15.363 ( 0.000 -0.000 -11.671) 11.671 15.721 ( -0.000 0.000 -15.422) 15.422 15.800 ( 0.000 0.000 4.114) 4.114 15.800 ( 0.000 -0.000 4.114) 4.114 16.130 ( 0.000 0.000 -3.928) 3.928 16.402 ( 0.000 0.000 -2.638) 2.638 16.888 ( 0.000 0.000 1.887) 1.887 16.888 ( 0.000 -0.000 1.887) 1.887 19.846 ( 0.000 -0.000 2.703) 2.703 ======================= Grid point 274 (75/131) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 7.066 3.097 14.343) 16.287 1.518 ( 12.897 -7.374 16.102) 21.908 1.819 ( 14.419 19.781 12.031) 27.275 2.139 ( 1.282 -0.491 -3.646) 3.896 2.710 ( 2.527 -1.533 24.708) 24.885 4.320 ( -15.066 -9.803 1.561) 18.042 4.379 ( -16.622 -8.296 0.328) 18.580 4.836 ( 4.965 3.674 2.912) 6.828 4.935 ( 9.038 -0.236 1.867) 9.232 5.165 ( 2.747 6.177 -10.103) 12.156 5.586 ( -2.893 -2.252 -10.126) 10.769 6.443 ( -6.174 0.241 -2.690) 6.739 6.567 ( 5.268 0.826 -3.167) 6.202 6.767 ( -2.286 -7.635 -3.129) 8.562 6.953 ( 1.839 5.742 -5.573) 8.211 7.409 ( 5.213 -2.706 10.704) 12.210 7.812 ( 22.205 21.262 5.776) 31.281 8.344 ( -5.148 5.838 -16.806) 18.521 8.676 ( 18.271 0.185 -16.764) 24.798 9.340 ( -4.771 -9.518 1.501) 10.752 9.453 ( -7.647 5.630 0.644) 9.518 9.576 ( 1.422 -5.120 -1.369) 5.487 10.164 ( -11.525 -0.703 -2.687) 11.855 10.724 ( -6.968 -6.990 1.709) 10.016 10.839 ( -3.394 1.808 -2.671) 4.683 11.372 ( 3.970 -2.477 -0.786) 4.744 11.602 ( -8.376 -4.942 -5.404) 11.126 11.744 ( -8.616 2.096 -5.140) 10.250 12.055 ( 10.763 2.723 -0.243) 11.105 12.241 ( 12.260 7.070 -2.240) 14.329 13.666 ( -13.543 -2.960 3.607) 14.324 13.726 ( -8.766 -0.572 14.311) 16.792 13.889 ( -0.071 -1.777 -0.308) 1.805 14.353 ( 1.933 -1.362 3.877) 4.541 14.450 ( 4.244 0.574 1.754) 4.629 14.587 ( 8.593 3.646 14.460) 17.212 15.379 ( -0.403 -1.011 -6.949) 7.034 15.666 ( 1.317 -0.983 -8.290) 8.451 15.769 ( -2.479 -0.637 3.031) 3.967 15.943 ( 6.693 3.503 -3.120) 8.173 16.158 ( 2.724 -0.401 -0.239) 2.763 16.431 ( 3.744 -1.475 -1.349) 4.244 16.880 ( -1.882 1.921 0.862) 2.824 16.946 ( 5.100 3.997 0.728) 6.520 19.628 ( -17.458 -9.459 6.918) 21.027 ======================= Grid point 275 (76/131) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.172 0.031 7.701) 12.758 1.762 ( 20.278 -3.494 11.451) 23.548 2.167 ( 3.919 -2.444 -1.346) 4.810 2.258 ( 11.159 13.817 14.102) 22.678 2.836 ( 15.274 2.324 7.328) 17.099 3.917 ( -17.788 -11.516 -0.306) 21.193 3.996 ( -16.765 -9.869 0.736) 19.468 4.849 ( -3.327 -3.760 -1.625) 5.277 5.055 ( 7.175 -2.897 3.705) 8.579 5.319 ( 3.798 10.804 -6.335) 13.087 5.519 ( -1.666 -1.671 -5.076) 5.598 6.306 ( -9.713 0.742 -0.888) 9.782 6.613 ( -2.033 -6.947 2.435) 7.637 6.692 ( 4.587 -1.778 -6.305) 7.997 7.025 ( -0.588 6.958 -4.879) 8.518 7.533 ( 9.292 2.105 8.533) 12.790 8.134 ( 2.192 4.547 -9.135) 10.437 8.430 ( -1.989 14.158 -9.637) 17.242 9.096 ( 1.926 3.081 -7.095) 7.971 9.159 ( 17.531 -10.954 -3.976) 21.051 9.358 ( -6.225 -2.146 -1.137) 6.682 9.523 ( -2.284 -0.832 1.721) 2.979 9.847 ( -20.106 -3.826 -4.822) 21.027 10.568 ( -5.267 -1.283 8.688) 10.241 10.798 ( -1.440 -1.535 -3.342) 3.950 11.139 ( -16.947 -1.525 -2.027) 17.136 11.612 ( 2.542 -3.058 -2.877) 4.908 11.809 ( 9.148 11.181 -13.071) 19.482 12.290 ( 12.830 4.091 -5.855) 14.684 12.529 ( 12.096 7.062 -3.897) 14.539 13.378 ( -15.580 -1.411 1.990) 15.770 13.579 ( -9.155 3.286 3.873) 10.470 13.794 ( -7.161 -3.961 -0.931) 8.236 14.451 ( 9.111 0.282 5.301) 10.545 14.528 ( 4.988 -1.378 2.902) 5.933 14.747 ( 6.719 1.188 9.670) 11.835 15.315 ( -2.196 -3.998 -4.014) 6.076 15.668 ( -1.665 -3.113 2.869) 4.549 15.778 ( 4.145 0.762 -4.741) 6.344 16.049 ( 2.711 1.078 -5.167) 5.933 16.158 ( -1.195 -4.215 2.788) 5.193 16.479 ( 7.397 -9.456 4.196) 12.717 16.865 ( -4.158 6.025 -1.801) 7.538 17.164 ( 10.779 10.595 0.199) 15.115 19.143 ( -23.311 -11.880 12.454) 28.976 ======================= Grid point 276 (77/131) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 9.090 -5.003 1.608) 10.500 2.077 ( 16.135 -2.272 6.844) 17.673 2.221 ( 8.367 -6.405 -5.419) 11.849 2.476 ( 9.455 2.030 13.439) 16.556 3.290 ( 23.845 10.433 -3.093) 26.211 3.507 ( -14.764 -11.789 -0.908) 18.915 3.601 ( -15.461 -10.069 0.968) 18.476 4.667 ( -9.736 -8.897 -4.384) 13.899 5.131 ( 5.273 -3.560 5.487) 8.402 5.438 ( -0.771 3.000 -2.092) 3.737 5.540 ( 3.195 6.288 -1.184) 7.152 6.142 ( -9.659 1.921 0.695) 9.873 6.499 ( -0.959 -8.234 -3.243) 8.901 6.755 ( 2.722 0.072 1.547) 3.132 7.079 ( -2.333 8.752 -4.151) 9.964 7.756 ( 10.308 6.156 6.056) 13.447 8.199 ( 1.202 4.579 -11.744) 12.662 8.429 ( -8.561 4.618 -8.321) 12.801 8.932 ( -6.446 -0.865 -1.553) 6.687 9.115 ( -12.173 -6.255 -5.387) 14.708 9.458 ( -5.939 -3.568 4.791) 8.423 9.516 ( 1.004 -1.897 3.277) 3.917 9.564 ( 8.982 -3.308 -5.517) 11.048 10.493 ( -4.252 1.720 4.515) 6.436 10.749 ( -4.860 0.605 -5.424) 7.308 10.887 ( -10.318 2.101 -8.564) 13.573 11.617 ( -3.283 5.530 -3.603) 7.371 12.113 ( 13.145 4.610 -4.575) 14.663 12.589 ( 13.419 8.007 -9.439) 18.256 12.781 ( 7.887 6.087 -4.255) 10.834 13.136 ( -10.903 1.766 -4.458) 11.911 13.473 ( -7.417 3.858 0.216) 8.363 13.589 ( -10.132 -4.315 -0.416) 11.020 14.578 ( 4.294 -2.752 4.046) 6.510 14.644 ( 10.412 -0.509 5.681) 11.872 14.859 ( 6.416 -0.824 5.249) 8.331 15.267 ( 1.518 -3.037 -2.809) 4.407 15.606 ( -0.750 -3.142 3.409) 4.697 15.824 ( 0.075 -3.146 -2.062) 3.762 16.017 ( -3.659 -5.246 -0.203) 6.399 16.092 ( -0.286 -2.926 -6.148) 6.815 16.488 ( 7.848 -14.934 8.149) 18.736 16.868 ( -4.904 10.787 -4.014) 12.511 17.492 ( 12.878 11.700 3.552) 17.759 18.636 ( -21.116 -10.295 13.648) 27.168 ======================= Grid point 277 (78/131) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 6.459 -10.556 -1.896) 12.520 2.228 ( 8.462 -6.373 1.801) 10.746 2.309 ( 8.095 -9.119 -6.360) 13.752 2.761 ( 18.535 5.628 6.621) 20.471 3.109 ( -15.233 -15.721 2.186) 21.999 3.279 ( -6.378 -5.370 -0.717) 8.369 3.853 ( 23.225 9.871 -4.520) 25.637 4.340 ( -15.525 -11.924 -5.483) 20.329 5.167 ( 3.368 -4.224 6.387) 8.365 5.425 ( -1.391 0.524 1.477) 2.095 5.656 ( 1.135 5.713 2.593) 6.375 6.042 ( -5.561 5.735 -0.539) 8.007 6.422 ( 0.893 -6.399 -8.781) 10.902 6.799 ( 2.526 0.091 7.820) 8.218 7.115 ( -3.986 9.049 -3.929) 10.640 7.935 ( 1.437 2.637 2.544) 3.936 8.224 ( -6.256 3.560 -2.905) 7.762 8.334 ( -0.278 3.447 -13.031) 13.482 8.836 ( -12.585 -1.997 2.050) 12.906 8.929 ( -1.498 11.783 -5.733) 13.189 9.263 ( -0.576 -12.597 -0.208) 12.612 9.576 ( 2.285 4.582 4.821) 7.033 9.697 ( 7.933 -5.779 -3.115) 10.298 10.425 ( -4.256 -1.634 1.116) 4.693 10.663 ( -5.204 6.245 -7.648) 11.162 10.836 ( -1.854 4.546 -10.688) 11.762 11.606 ( -5.373 7.224 -2.931) 9.468 12.306 ( 6.184 -0.307 0.140) 6.193 12.790 ( -5.489 2.944 1.130) 6.331 12.895 ( 5.881 6.650 -11.625) 14.628 13.105 ( -0.347 5.967 -8.508) 10.398 13.339 ( -6.841 -2.208 -0.912) 7.246 13.465 ( -3.267 4.304 -1.768) 5.686 14.583 ( 1.431 -6.457 8.539) 10.801 14.796 ( 8.464 -3.269 2.654) 9.453 14.945 ( 4.678 -3.019 2.594) 6.142 15.322 ( 6.143 0.555 -1.992) 6.482 15.611 ( 4.152 -0.795 2.337) 4.830 15.668 ( -8.385 -8.343 2.024) 12.000 15.942 ( -0.652 -4.653 -6.392) 7.933 16.056 ( 0.559 -2.824 -4.994) 5.764 16.466 ( 7.631 -15.451 8.732) 19.319 16.907 ( -4.529 12.657 -5.296) 14.448 17.832 ( 13.070 10.533 7.935) 18.567 18.207 ( -17.396 -8.118 11.909) 22.591 ======================= Grid point 278 (79/131) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 8.230 -10.593 -1.840) 13.540 2.211 ( -0.612 -11.350 -5.822) 12.771 2.345 ( 4.826 -7.932 0.982) 9.337 2.683 ( -11.975 -17.701 7.291) 22.581 3.181 ( 19.895 8.226 2.511) 21.674 3.263 ( 6.577 1.617 -1.412) 6.919 3.883 ( -20.890 -14.438 -5.563) 25.996 4.305 ( 18.337 6.130 -4.356) 19.819 5.162 ( 1.026 -4.476 6.283) 7.782 5.419 ( -0.072 1.058 0.902) 1.392 5.667 ( -4.763 3.177 4.191) 7.095 6.074 ( 0.962 7.934 -1.538) 8.139 6.411 ( 3.084 -2.547 -10.803) 11.520 6.839 ( 2.117 -1.197 9.043) 9.364 7.117 ( -5.107 6.924 -4.078) 9.521 7.836 ( -7.140 -4.511 0.830) 8.486 8.194 ( -2.086 5.347 -3.877) 6.926 8.381 ( -2.903 3.816 -9.475) 10.620 8.620 ( -9.607 1.616 6.682) 11.814 9.136 ( 5.330 18.914 -7.545) 21.049 9.221 ( 7.590 -8.349 -2.653) 11.591 9.659 ( 2.797 1.582 2.251) 3.923 9.736 ( 4.227 -6.136 -2.869) 7.984 10.346 ( -0.768 -2.344 0.802) 2.594 10.709 ( 0.347 8.780 -7.561) 11.593 10.882 ( 0.177 7.352 -10.965) 13.203 11.571 ( -6.264 5.717 -0.712) 8.511 12.321 ( -2.443 -2.472 2.338) 4.189 12.636 ( -9.183 -2.859 -5.483) 11.071 12.994 ( -10.548 -3.455 -7.679) 13.497 13.071 ( 3.860 7.369 -6.355) 10.468 13.344 ( -1.114 10.025 0.542) 10.102 13.518 ( 4.765 3.517 -5.050) 7.783 14.510 ( -0.388 -8.391 8.149) 11.703 14.848 ( 2.397 -5.875 1.511) 6.523 14.937 ( -0.819 -5.826 5.497) 8.052 15.412 ( -1.388 -6.249 -4.127) 7.616 15.508 ( 3.981 1.316 1.551) 4.471 15.737 ( 7.744 1.780 3.948) 8.873 15.879 ( 0.119 -4.660 -6.488) 7.989 16.071 ( 3.324 -1.494 -4.358) 5.681 16.449 ( 8.032 -14.958 8.475) 18.975 16.953 ( -4.989 12.305 -6.617) 14.835 17.813 ( -16.285 -7.423 9.144) 20.097 18.209 ( 15.148 11.106 11.638) 22.096 ======================= Grid point 279 (80/131) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 4.830 -9.931 3.419) 11.560 2.020 ( -6.532 -11.776 -2.159) 13.638 2.188 ( -7.013 -13.620 -0.141) 15.320 2.455 ( -0.556 -8.377 16.056) 18.118 3.317 ( -22.195 -15.091 -4.170) 27.162 3.516 ( 15.733 6.576 -1.014) 17.082 3.622 ( 17.443 9.446 0.699) 19.849 4.617 ( 12.593 2.115 -3.466) 13.232 5.115 ( -1.535 -3.994 5.253) 6.775 5.434 ( -0.719 2.051 -3.064) 3.756 5.586 ( -5.746 0.693 0.949) 5.865 6.205 ( 3.689 8.729 -0.517) 9.491 6.470 ( 5.085 -0.869 -8.496) 9.940 6.835 ( -0.413 -2.170 4.636) 5.135 7.075 ( -6.014 4.248 -4.197) 8.475 7.689 ( -2.053 -8.737 3.557) 9.654 8.191 ( -6.915 6.707 -0.834) 9.670 8.316 ( -5.973 4.094 -9.992) 12.340 8.594 ( 2.894 5.080 1.403) 6.013 9.305 ( 7.415 -4.058 -4.091) 9.391 9.400 ( 3.574 10.337 -2.820) 11.295 9.707 ( 4.677 -1.649 -3.837) 6.270 9.740 ( 0.164 -0.388 -2.692) 2.725 10.403 ( 9.833 0.019 2.996) 10.279 10.805 ( -1.581 10.266 -6.360) 12.179 10.980 ( 1.545 7.649 -8.367) 11.441 11.501 ( -5.147 1.242 1.222) 5.434 12.205 ( -8.961 0.808 0.188) 8.999 12.428 ( -7.562 -9.333 -13.409) 18.003 12.702 ( -14.357 -8.328 -3.742) 17.014 13.236 ( 5.590 8.838 -3.493) 11.025 13.429 ( -1.580 12.550 1.946) 12.798 13.668 ( 6.815 3.503 -4.411) 8.841 14.431 ( 0.671 -6.963 6.052) 9.250 14.744 ( -6.063 -7.867 2.260) 10.186 14.846 ( -1.289 -5.698 7.997) 9.903 15.326 ( 0.309 -4.055 -3.178) 5.162 15.640 ( 5.392 1.857 0.890) 5.772 15.799 ( 0.496 -3.697 -2.738) 4.628 15.929 ( 5.735 1.378 0.252) 5.904 16.139 ( 5.177 -0.133 -3.197) 6.086 16.446 ( 8.493 -14.421 8.019) 18.558 16.970 ( -6.188 10.101 -7.241) 13.884 17.446 ( -16.932 -7.082 6.030) 19.319 18.634 ( 19.414 13.235 13.693) 27.195 ======================= Grid point 280 (81/131) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -7.900 -14.837 9.905) 19.510 1.760 ( -7.984 -14.103 8.550) 18.323 2.102 ( 3.254 -3.025 -1.946) 4.850 2.282 ( -16.639 -3.845 15.786) 23.255 2.845 ( -10.510 -12.181 6.646) 17.407 3.911 ( 18.819 9.121 -0.069) 20.913 4.025 ( 16.500 10.368 0.207) 19.488 4.791 ( 6.992 -0.816 -2.539) 7.484 5.023 ( -4.762 -3.542 4.379) 7.375 5.376 ( -8.340 0.450 -5.242) 9.860 5.542 ( 1.435 -0.062 -5.493) 5.678 6.357 ( 3.118 8.521 -1.592) 9.212 6.541 ( 3.797 -2.207 -4.782) 6.492 6.804 ( 1.294 -4.009 -0.491) 4.242 7.004 ( -6.222 3.507 -5.068) 8.758 7.566 ( -0.385 -11.642 7.974) 14.116 8.067 ( -14.661 4.665 0.318) 15.389 8.299 ( -3.714 8.518 -13.823) 16.656 8.766 ( 8.873 0.594 -2.607) 9.267 9.311 ( -3.989 -10.889 -7.093) 13.594 9.410 ( 1.130 1.152 1.676) 2.326 9.676 ( -0.368 -6.038 -3.364) 6.921 9.914 ( 5.773 15.824 -5.653) 17.768 10.664 ( 16.983 -3.013 4.892) 17.928 10.852 ( -6.331 16.566 -3.789) 18.135 11.048 ( 2.952 -1.260 -3.532) 4.772 11.487 ( 3.181 2.874 -1.224) 4.458 12.019 ( -13.336 0.985 -12.272) 18.150 12.228 ( -3.218 -8.781 -8.230) 12.458 12.377 ( -12.287 -8.586 1.988) 15.121 13.448 ( 8.163 9.080 2.847) 12.538 13.559 ( 1.076 14.615 3.568) 15.083 13.792 ( 4.623 0.595 -2.157) 5.136 14.395 ( 1.547 -4.250 3.844) 5.936 14.548 ( -5.924 -7.919 4.850) 11.015 14.758 ( -3.685 -4.560 8.937) 10.688 15.335 ( 3.057 -0.833 -3.783) 4.934 15.718 ( 1.970 -0.798 2.830) 3.539 15.743 ( -1.624 -2.675 -5.891) 6.670 16.003 ( 1.030 0.485 -2.394) 2.651 16.208 ( 1.917 -1.672 0.709) 2.641 16.446 ( 6.123 -11.563 4.897) 13.970 16.940 ( -6.776 6.809 -5.846) 11.245 17.110 ( -12.820 -5.243 3.503) 14.287 19.142 ( 21.998 14.300 12.487) 29.058 ======================= Grid point 281 (82/131) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -5.310 -6.667 15.053) 17.298 1.525 ( -2.166 -12.768 15.066) 19.867 1.829 ( -24.764 -3.534 12.338) 27.893 2.130 ( 0.963 -0.686 -3.725) 3.908 2.711 ( -0.053 -3.017 24.686) 24.870 4.314 ( 16.369 8.333 1.488) 18.428 4.399 ( 14.401 9.898 0.425) 17.479 4.836 ( -2.741 -2.740 1.273) 4.079 4.885 ( -4.216 -4.799 1.907) 6.666 5.201 ( -8.942 -1.932 -8.363) 12.395 5.592 ( 2.752 0.989 -10.395) 10.799 6.465 ( 0.831 5.680 -3.325) 6.634 6.538 ( -0.093 -3.823 -3.507) 5.189 6.816 ( 4.878 -5.171 -2.610) 7.573 6.932 ( -6.147 3.103 -6.022) 9.148 7.455 ( 0.814 -10.416 10.668) 14.932 7.714 ( -26.577 -1.601 6.712) 27.459 8.340 ( -0.552 7.506 -16.579) 18.207 8.667 ( -7.681 -13.921 -15.456) 22.173 9.309 ( 10.138 1.926 0.669) 10.341 9.467 ( 0.062 5.569 0.798) 5.626 9.615 ( -0.602 -4.863 -1.887) 5.251 10.158 ( 6.228 9.349 -1.641) 11.352 10.772 ( 4.299 -2.335 0.075) 4.893 10.903 ( -5.298 5.963 -4.404) 9.112 11.210 ( 13.223 0.097 -1.505) 13.308 11.640 ( 6.647 6.554 -2.014) 9.550 11.848 ( -4.202 1.957 -8.116) 9.346 12.072 ( -8.504 -8.765 2.278) 12.423 12.141 ( -5.600 -3.360 -2.119) 6.866 13.681 ( 7.820 8.051 8.466) 14.058 13.750 ( 3.866 12.235 9.181) 15.777 13.844 ( 3.866 -3.921 0.233) 5.511 14.392 ( -0.121 0.438 1.956) 2.008 14.405 ( -1.811 -5.838 4.240) 7.440 14.603 ( -8.109 -5.856 13.422) 16.739 15.379 ( 0.846 -0.285 -6.977) 7.034 15.662 ( 0.137 -1.552 -8.644) 8.783 15.775 ( 1.494 1.538 3.441) 4.054 15.947 ( -6.192 -3.762 -3.109) 7.884 16.162 ( -1.871 -3.203 -0.418) 3.733 16.423 ( 0.286 -3.584 -1.200) 3.790 16.895 ( -3.160 2.880 -0.842) 4.357 16.932 ( -3.738 -2.711 2.333) 5.173 19.628 ( 16.931 10.397 6.920) 21.039 ======================= Grid point 283 (83/131) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 4.636 6.325 14.911) 16.848 1.591 ( 2.642 9.960 10.759) 14.897 2.096 ( 0.097 -3.904 -0.458) 3.932 2.237 ( 8.549 16.013 18.116) 25.645 2.719 ( 3.828 7.242 8.505) 11.809 4.021 ( -9.977 -18.605 0.573) 21.119 4.107 ( -11.768 -16.921 -0.155) 20.612 4.858 ( 3.382 -4.826 -0.919) 5.964 4.940 ( -0.458 4.147 2.854) 5.055 5.362 ( 3.916 10.288 -5.735) 12.412 5.535 ( -1.981 -1.969 -6.711) 7.269 6.406 ( -4.161 -4.026 -4.455) 7.305 6.574 ( 0.708 -4.667 1.764) 5.039 6.693 ( -3.452 4.169 -3.254) 6.316 7.054 ( 3.675 4.490 -5.305) 7.862 7.441 ( 3.027 4.551 6.214) 8.276 8.125 ( 6.308 8.246 -3.560) 10.975 8.609 ( 18.462 8.816 -5.557) 21.200 8.667 ( 1.420 2.248 -14.513) 14.755 9.168 ( -4.681 -2.709 -2.625) 6.012 9.442 ( -3.107 -6.071 -1.444) 6.971 9.535 ( -5.201 1.894 0.785) 5.591 10.108 ( -5.697 -4.966 -6.603) 10.036 10.558 ( -8.623 -11.655 6.249) 15.788 10.902 ( -5.763 5.370 -3.471) 8.608 11.242 ( 13.349 -4.978 -0.508) 14.256 11.471 ( -8.801 -7.007 -1.975) 11.422 11.915 ( -0.435 12.192 -19.587) 23.076 12.209 ( 4.736 11.569 -1.317) 12.571 12.351 ( 13.460 4.530 -0.562) 14.213 13.563 ( -6.208 -7.923 7.078) 12.305 13.685 ( -4.730 -3.366 -3.597) 6.830 13.828 ( 1.401 -3.208 2.069) 4.066 14.348 ( 0.679 0.115 6.005) 6.045 14.460 ( 2.328 2.781 4.251) 5.588 14.697 ( 2.068 5.152 12.215) 13.418 15.321 ( -3.000 -4.075 -4.776) 6.958 15.669 ( -0.888 0.490 -2.025) 2.265 15.747 ( 0.166 -0.717 -1.268) 1.466 16.019 ( 1.966 1.466 -3.888) 4.597 16.147 ( -2.162 -0.436 2.796) 3.561 16.357 ( -1.538 -5.633 3.073) 6.598 16.990 ( -1.189 9.082 2.187) 9.417 17.070 ( 10.213 7.701 -3.641) 13.299 19.296 ( -12.429 -21.565 11.129) 27.265 ======================= Grid point 284 (84/131) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.596 1.312 6.717) 8.244 1.823 ( 12.515 8.090 8.778) 17.295 2.047 ( 2.069 -8.925 3.687) 9.875 2.351 ( 3.069 -3.173 17.981) 18.515 3.100 ( 17.178 22.385 -4.183) 28.525 3.619 ( -14.078 -17.824 -0.081) 22.713 3.715 ( -13.032 -16.436 -0.007) 20.976 4.783 ( -8.131 -2.600 -1.462) 8.661 4.973 ( 5.517 -5.461 2.828) 8.262 5.502 ( -1.763 3.614 -0.998) 4.143 5.530 ( 4.407 5.662 -3.840) 8.138 6.264 ( -6.483 -5.090 0.017) 8.243 6.459 ( -2.859 -5.951 -4.134) 7.789 6.771 ( 1.267 7.432 0.721) 7.574 7.154 ( 1.819 5.580 -3.748) 6.964 7.628 ( 10.742 6.831 3.350) 13.163 8.224 ( 1.230 4.407 -10.566) 11.514 8.612 ( -6.522 2.907 -5.449) 8.982 8.913 ( 7.819 -10.356 -3.539) 13.450 9.125 ( -0.632 -2.679 -10.807) 11.152 9.362 ( 1.682 3.618 3.501) 5.308 9.458 ( -3.950 -5.817 2.129) 7.347 9.816 ( -18.698 1.372 -1.407) 18.801 10.428 ( 4.209 -10.395 1.988) 11.389 10.877 ( -4.574 5.923 -4.848) 8.917 11.162 ( -15.619 3.060 -4.726) 16.603 11.497 ( 13.058 -6.782 -5.408) 15.677 12.096 ( 3.642 16.027 -10.528) 19.519 12.466 ( 10.741 12.509 -9.178) 18.870 12.639 ( 13.647 4.504 -3.935) 14.900 13.343 ( -11.153 -2.953 -0.886) 11.571 13.575 ( -4.528 -3.781 -4.909) 7.674 13.732 ( -7.783 -2.402 -1.940) 8.373 14.453 ( 9.482 -0.119 8.129) 12.490 14.526 ( 1.922 2.483 7.448) 8.083 14.770 ( 3.193 0.663 10.367) 10.868 15.234 ( -1.567 -3.223 -3.887) 5.287 15.602 ( -2.961 -3.402 3.450) 5.678 15.780 ( 1.867 -0.881 -3.725) 4.259 16.006 ( -1.955 -6.801 1.645) 7.265 16.086 ( -1.963 -1.528 -2.932) 3.845 16.275 ( 1.598 -9.812 5.573) 11.397 17.064 ( -3.203 13.024 1.079) 13.456 17.366 ( 13.099 8.895 -1.042) 15.868 18.832 ( -16.548 -17.855 13.295) 27.738 ======================= Grid point 285 (85/131) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 1.723 -5.353 3.348) 6.545 2.016 ( 6.402 -7.961 8.031) 12.995 2.070 ( 9.243 -4.169 -2.300) 10.397 2.473 ( 15.650 0.191 10.576) 18.890 3.192 ( -14.223 -18.254 0.679) 23.151 3.328 ( -8.964 -11.817 0.149) 14.833 3.662 ( 17.089 20.215 -4.018) 26.774 4.544 ( -15.465 -3.364 -2.704) 16.056 5.015 ( 6.656 -7.748 4.463) 11.147 5.489 ( -3.411 3.266 1.450) 4.940 5.656 ( 3.984 3.802 -0.251) 5.513 6.121 ( -3.581 -4.448 1.577) 5.924 6.378 ( -1.074 -3.283 -8.301) 8.991 6.851 ( -1.662 8.782 3.524) 9.608 7.226 ( 0.004 5.450 -2.493) 5.993 7.894 ( 8.868 7.434 1.327) 11.647 8.291 ( 1.735 4.604 -9.058) 10.308 8.477 ( -10.715 1.309 -6.679) 12.694 8.878 ( 0.311 -7.379 -4.831) 8.825 9.040 ( -1.001 -4.807 -7.035) 8.579 9.241 ( -9.927 -4.321 0.669) 10.847 9.495 ( 6.790 -0.714 3.794) 7.811 9.671 ( -4.303 6.920 3.950) 9.056 10.404 ( 1.827 -6.989 -1.420) 7.362 10.846 ( -5.400 4.718 -8.152) 10.857 10.965 ( -9.750 5.264 -11.560) 16.013 11.602 ( 6.227 -5.822 -6.077) 10.469 12.301 ( 1.950 12.823 -0.120) 12.971 12.778 ( 10.134 8.226 -6.311) 14.498 12.891 ( 6.421 5.984 -9.233) 12.739 13.166 ( -4.916 0.921 -8.381) 9.759 13.421 ( -7.632 -5.476 -4.657) 10.484 13.589 ( -5.748 0.088 -3.908) 6.951 14.545 ( -0.522 0.215 10.454) 10.469 14.622 ( 8.236 -1.074 8.696) 12.025 14.835 ( 4.776 -1.536 7.246) 8.814 15.233 ( 3.863 -0.112 -2.276) 4.485 15.543 ( 0.800 -3.153 3.054) 4.462 15.713 ( -6.021 -7.619 2.209) 9.959 15.894 ( -0.301 -6.243 -3.219) 7.031 16.040 ( -1.502 -2.127 -4.427) 5.136 16.223 ( 4.159 -10.595 6.031) 12.881 17.136 ( -4.822 14.952 -0.230) 15.712 17.686 ( 13.892 7.458 3.971) 16.260 18.390 ( -15.607 -13.554 12.181) 23.993 ======================= Grid point 286 (86/131) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 3.758 -7.638 2.419) 8.850 2.048 ( 4.846 -11.521 -1.939) 12.648 2.142 ( 8.986 -6.105 4.407) 11.723 2.733 ( -12.668 -17.532 3.607) 21.929 2.861 ( 19.507 2.864 5.374) 20.435 3.165 ( 2.130 -5.812 -0.033) 6.190 4.115 ( 4.608 10.411 -2.802) 11.725 4.197 ( -12.087 1.653 -4.221) 12.909 5.039 ( 5.212 -8.510 5.107) 11.210 5.463 ( -2.794 3.571 1.449) 4.760 5.738 ( 0.596 2.705 3.201) 4.233 6.055 ( 1.983 -4.418 -0.458) 4.864 6.364 ( 1.485 -0.331 -8.998) 9.126 6.887 ( -3.988 8.048 4.968) 10.264 7.256 ( -2.592 4.441 -2.227) 5.603 7.964 ( -7.421 1.455 -1.812) 7.776 8.313 ( -5.945 5.282 -5.236) 9.522 8.431 ( 3.064 6.480 -8.794) 11.345 8.746 ( -5.172 -7.278 1.170) 9.005 8.989 ( 5.200 -11.703 -5.026) 13.757 9.226 ( 2.259 13.430 -1.959) 13.759 9.561 ( 3.783 -3.994 1.380) 5.671 9.715 ( 0.636 5.676 2.990) 6.447 10.328 ( -2.530 -6.184 -2.315) 7.071 10.822 ( -2.400 7.269 -11.680) 13.965 10.943 ( -0.716 6.123 -12.930) 14.325 11.608 ( 1.656 -6.418 -4.456) 7.987 12.407 ( -2.841 9.796 2.145) 10.423 12.799 ( -10.458 -1.704 -0.719) 10.621 13.021 ( 6.342 4.613 -9.761) 12.521 13.157 ( -8.351 -0.733 -11.747) 14.432 13.349 ( 7.287 3.746 -7.119) 10.854 13.530 ( -1.653 0.567 -5.136) 5.425 14.492 ( -3.947 -1.936 13.992) 14.666 14.729 ( 5.808 -2.389 7.361) 9.676 14.876 ( 1.897 -3.806 5.878) 7.255 15.335 ( 4.800 -0.839 -2.274) 5.377 15.496 ( -3.908 -6.285 2.043) 7.677 15.605 ( 6.664 -0.628 4.905) 8.298 15.832 ( -0.493 -5.638 -5.865) 8.151 16.015 ( 1.114 -1.252 -3.116) 3.538 16.203 ( 5.150 -9.684 5.404) 12.227 17.192 ( -6.081 14.666 -1.428) 15.941 17.956 ( -2.085 -3.754 8.830) 9.819 18.062 ( 3.182 -0.546 9.177) 9.728 ======================= Grid point 288 (87/131) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 8.071 -3.961 3.461) 9.634 1.955 ( -0.373 -11.959 -1.558) 12.066 2.237 ( 0.207 -2.290 5.977) 6.405 2.306 ( -7.214 -17.575 10.978) 21.942 3.259 ( 18.469 0.283 1.228) 18.512 3.318 ( 18.546 3.138 0.228) 18.811 3.686 ( -26.833 -5.767 -4.506) 27.813 4.497 ( 9.738 12.029 -1.580) 15.557 5.026 ( 3.657 -8.717 3.786) 10.183 5.470 ( -1.089 3.781 0.110) 3.937 5.699 ( -5.549 -0.464 1.723) 5.829 6.130 ( 8.315 -0.423 -1.059) 8.393 6.407 ( 3.320 -0.261 -7.069) 7.814 6.874 ( -4.733 4.344 4.116) 7.630 7.223 ( -5.356 3.092 -2.923) 6.841 7.770 ( -11.838 -1.209 -0.620) 11.916 8.295 ( -3.111 3.098 -8.364) 9.447 8.492 ( -3.221 8.393 -9.759) 13.269 8.647 ( -2.561 1.384 6.466) 7.090 9.058 ( 12.943 -7.276 -4.708) 15.577 9.419 ( 4.080 6.185 -0.918) 7.466 9.553 ( 2.753 -7.503 -0.864) 8.039 9.806 ( 1.994 9.650 -0.824) 9.888 10.241 ( 1.762 -6.612 -0.412) 6.855 10.907 ( 2.365 7.315 -14.216) 16.161 11.031 ( 1.455 9.191 -9.216) 13.096 11.529 ( -2.008 -8.356 -0.543) 8.611 12.413 ( -7.229 10.010 2.023) 12.512 12.548 ( -13.599 -5.141 -6.835) 16.065 12.893 ( -15.197 -5.500 -11.640) 19.917 13.195 ( 6.685 4.801 -5.336) 9.809 13.534 ( 1.407 4.545 -4.545) 6.579 13.562 ( 8.574 2.841 -7.840) 11.960 14.403 ( -3.396 -1.474 12.103) 12.657 14.758 ( -1.474 -3.280 3.480) 5.004 14.805 ( -1.615 -6.587 13.150) 14.796 15.278 ( -0.920 -5.675 -4.124) 7.075 15.546 ( 6.434 0.794 2.618) 6.992 15.743 ( 4.498 -1.186 1.288) 4.827 15.814 ( 6.412 -0.700 -1.718) 6.675 16.052 ( 3.835 -0.246 -2.971) 4.858 16.204 ( 5.449 -8.424 5.250) 11.323 17.209 ( -7.767 12.017 -1.832) 14.425 17.638 ( -14.533 -9.440 5.250) 18.108 18.392 ( 19.140 6.671 12.173) 23.644 ======================= Grid point 289 (88/131) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -4.924 -8.134 8.221) 12.570 1.837 ( -9.856 -6.090 4.684) 12.497 2.002 ( 2.833 -3.017 4.826) 6.358 2.335 ( 4.152 -2.860 19.182) 19.833 3.117 ( -28.421 -5.127 -4.288) 29.196 3.618 ( 21.320 3.081 -0.221) 21.543 3.734 ( 21.793 1.630 0.017) 21.854 4.727 ( 5.339 7.858 -0.486) 9.513 4.998 ( 1.923 -6.817 2.261) 7.435 5.484 ( -1.682 2.600 -3.836) 4.930 5.571 ( -6.665 -2.210 -0.908) 7.080 6.286 ( 8.378 0.636 -2.174) 8.679 6.473 ( 5.054 -0.642 -3.232) 6.033 6.805 ( -5.289 -0.741 1.017) 5.437 7.143 ( -6.284 2.049 -4.111) 7.784 7.573 ( -8.773 -1.545 2.508) 9.255 8.240 ( -4.549 -0.261 -7.672) 8.923 8.558 ( -4.860 17.493 -8.995) 20.262 8.672 ( 3.251 1.821 2.138) 4.297 9.199 ( 7.357 -5.915 -7.574) 12.103 9.411 ( -3.092 -3.257 2.182) 4.993 9.550 ( 4.680 -7.650 -1.779) 9.143 9.972 ( 4.931 8.101 -4.237) 10.388 10.312 ( 13.038 -3.678 2.898) 13.853 10.983 ( 0.803 -1.343 -10.341) 10.459 11.159 ( -2.870 16.291 -4.835) 17.234 11.410 ( 1.178 -8.635 1.365) 8.821 12.223 ( -15.398 -7.913 -18.548) 25.373 12.371 ( -9.496 10.276 0.649) 14.007 12.549 ( -15.754 -5.125 -5.085) 17.330 13.376 ( 8.508 4.507 -0.546) 9.643 13.604 ( 4.199 1.041 -5.120) 6.703 13.735 ( 5.252 4.439 -3.644) 7.782 14.355 ( -1.456 0.247 9.336) 9.452 14.591 ( -6.887 -6.490 6.779) 11.641 14.767 ( -1.112 -1.983 10.708) 10.947 15.258 ( 3.111 -2.516 -4.220) 5.815 15.640 ( 4.876 -2.088 3.511) 6.361 15.753 ( -0.518 0.099 -4.850) 4.879 15.964 ( 5.997 2.021 1.326) 6.466 16.126 ( 4.278 -1.840 -1.758) 4.978 16.242 ( 7.179 -4.076 5.974) 10.190 17.153 ( -9.240 5.780 0.497) 10.910 17.300 ( -14.765 -5.460 -0.752) 15.760 18.831 ( 23.708 5.463 13.338) 27.745 ======================= Grid point 294 (89/131) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -2.819 -2.729 4.882) 6.263 1.853 ( 1.174 -5.190 3.264) 6.242 2.042 ( -3.198 8.747 9.676) 13.430 2.272 ( 6.322 -0.944 9.520) 11.467 3.243 ( -12.348 -17.868 0.533) 21.726 3.349 ( -9.248 -16.039 0.426) 18.519 3.626 ( 13.476 24.522 -3.790) 28.237 4.717 ( 0.509 -6.230 1.958) 6.550 4.855 ( -5.420 -4.270 0.406) 6.911 5.543 ( 3.063 1.598 1.173) 3.649 5.650 ( -0.450 5.105 -0.847) 5.194 6.122 ( -4.881 -8.552 0.960) 9.894 6.384 ( -2.456 -1.933 -7.027) 7.691 6.935 ( 3.987 7.797 2.103) 9.007 7.246 ( 1.947 3.452 -1.595) 4.272 7.802 ( 10.660 10.362 -0.366) 14.871 8.308 ( 1.608 4.306 -10.134) 11.127 8.628 ( -3.159 0.325 -3.993) 5.102 8.723 ( 7.029 -8.245 -4.466) 11.718 8.973 ( -6.413 -12.154 -6.705) 15.291 9.392 ( -7.815 -0.289 1.968) 8.064 9.456 ( 1.118 4.870 3.919) 6.350 9.858 ( -8.815 0.946 1.574) 9.004 10.243 ( 6.452 -6.034 -2.411) 9.157 10.934 ( -3.066 -0.406 -13.805) 14.147 11.201 ( -6.054 -1.474 -8.422) 10.476 11.391 ( 5.117 -1.663 -5.832) 7.935 12.424 ( 1.735 15.421 -4.035) 16.034 12.644 ( 13.046 2.971 0.404) 13.386 12.825 ( 8.853 14.847 -15.747) 23.383 13.244 ( -4.714 -6.421 -2.907) 8.479 13.498 ( -6.007 -2.879 -9.629) 11.708 13.632 ( -3.607 -7.796 -8.186) 11.866 14.457 ( 7.585 1.025 11.218) 13.580 14.642 ( -2.741 8.044 12.948) 15.487 14.766 ( 1.244 -1.043 10.973) 11.092 15.206 ( -0.894 0.677 -3.627) 3.796 15.532 ( -3.279 -3.658 3.696) 6.147 15.729 ( -3.033 -4.613 0.806) 5.580 15.837 ( -1.908 -8.165 -0.462) 8.397 16.055 ( -1.754 -2.197 -3.530) 4.513 16.120 ( -1.971 -4.796 4.393) 6.796 17.339 ( 1.138 12.196 5.442) 13.403 17.526 ( 9.746 8.139 -1.492) 12.784 18.461 ( -10.591 -18.197 12.292) 24.380 ======================= Grid point 295 (90/131) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -1.115 -6.481 4.642) 8.049 1.871 ( 4.897 -3.854 3.506) 7.150 1.985 ( -0.074 -5.370 3.936) 6.658 2.538 ( 15.521 6.020 6.307) 17.802 2.858 ( -13.270 -12.845 2.017) 18.578 3.078 ( -2.891 -12.098 1.550) 12.534 4.098 ( 12.321 21.271 -1.926) 24.657 4.512 ( -17.712 -0.322 -0.516) 17.722 4.818 ( 7.673 -11.829 2.425) 14.307 5.586 ( -4.230 6.523 1.891) 8.001 5.703 ( 4.831 1.451 1.123) 5.167 5.968 ( -1.566 -10.008 1.216) 10.202 6.352 ( -0.266 -0.206 -8.408) 8.414 7.056 ( -1.732 10.184 2.810) 10.706 7.285 ( 0.902 0.115 -0.089) 0.914 8.068 ( 3.901 10.339 -2.752) 11.388 8.395 ( 3.264 5.446 -6.488) 9.078 8.523 ( -9.071 3.573 -6.263) 11.588 8.657 ( -0.241 -13.587 -5.729) 14.747 8.817 ( 2.594 -11.700 -6.930) 13.844 9.317 ( -1.914 3.346 7.213) 8.178 9.536 ( 0.829 6.145 2.366) 6.637 9.768 ( -2.698 1.216 2.972) 4.194 10.287 ( 2.164 -3.446 -3.624) 5.449 10.887 ( -1.482 0.043 -17.682) 17.744 11.092 ( -7.373 7.142 -12.196) 15.941 11.438 ( 6.209 -9.473 -9.038) 14.490 12.569 ( -1.444 12.633 1.486) 12.801 12.858 ( 6.768 1.269 0.671) 6.919 12.996 ( -3.074 0.597 -8.561) 9.116 13.204 ( 6.486 4.672 -13.836) 15.979 13.340 ( -8.073 -2.025 -10.259) 13.210 13.514 ( -0.642 -7.000 -10.764) 12.856 14.568 ( 0.499 1.566 11.995) 12.107 14.641 ( -0.237 2.205 17.192) 17.334 14.807 ( 3.064 -0.665 9.459) 9.965 15.257 ( 4.265 2.254 -1.209) 4.973 15.464 ( -0.658 -5.634 2.216) 6.089 15.562 ( -4.379 -5.545 5.702) 9.080 15.781 ( 0.411 -4.234 -5.640) 7.065 16.010 ( -1.363 -0.842 -2.230) 2.746 16.072 ( 1.776 -4.698 2.611) 5.660 17.442 ( -4.650 14.660 4.335) 15.979 17.793 ( 13.678 3.396 4.339) 14.746 18.110 ( -10.780 -13.751 9.308) 19.798 ======================= Grid point 296 (91/131) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 5.598 -1.827 4.600) 7.472 1.854 ( 0.026 -5.372 1.450) 5.564 2.035 ( 9.247 -5.161 6.678) 12.519 2.473 ( -15.898 -5.312 4.802) 17.437 2.914 ( 18.457 0.897 3.019) 18.724 3.063 ( 11.069 -3.202 1.318) 11.598 4.111 ( -24.425 -1.320 -2.082) 24.549 4.489 ( 8.176 16.075 0.008) 18.035 4.827 ( 7.082 -12.107 2.042) 14.175 5.565 ( -4.523 5.939 1.361) 7.588 5.747 ( -2.164 -3.293 2.088) 4.459 5.950 ( 9.476 -3.094 0.433) 9.978 6.360 ( 1.204 -0.416 -7.980) 8.081 7.055 ( -7.794 6.459 2.733) 10.484 7.288 ( -0.421 -0.748 0.022) 0.859 8.024 ( -14.160 4.222 -3.190) 15.116 8.409 ( -7.003 2.082 -8.913) 11.525 8.580 ( 1.351 6.164 -8.195) 10.343 8.599 ( 9.755 -2.800 -1.582) 10.272 8.780 ( 7.022 -8.343 -4.141) 11.664 9.363 ( 3.728 -0.489 7.916) 8.764 9.550 ( -4.786 1.982 0.375) 5.194 9.804 ( 4.698 1.399 1.885) 5.252 10.236 ( -3.716 -1.022 -3.724) 5.359 10.897 ( 1.939 0.695 -19.275) 19.384 11.115 ( -0.363 9.447 -11.591) 14.958 11.419 ( 3.164 -9.900 -7.764) 12.974 12.621 ( -5.416 7.841 1.002) 9.582 12.747 ( -11.779 -1.151 0.701) 11.855 13.050 ( 1.239 -1.489 -9.993) 10.179 13.153 ( -5.840 1.340 -10.554) 12.136 13.436 ( 9.335 4.065 -11.376) 15.267 13.473 ( 3.548 -5.470 -11.376) 13.112 14.508 ( -6.142 2.922 14.742) 16.235 14.711 ( 4.207 -0.668 14.608) 15.217 14.795 ( -2.965 -3.344 10.101) 11.046 15.265 ( -3.379 -3.547 -2.287) 5.407 15.449 ( 5.265 -0.282 3.198) 6.167 15.588 ( 8.517 -1.131 5.709) 10.315 15.757 ( 0.842 -0.997 -5.986) 6.127 16.008 ( 1.401 0.569 -1.520) 2.144 16.074 ( 3.097 -3.687 1.874) 5.167 17.467 ( -7.947 11.195 4.111) 14.331 17.765 ( -11.308 -9.689 4.599) 15.586 18.117 ( 16.953 1.843 9.218) 19.385 ======================= Grid point 300 (92/131) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -5.681 14.187 8.156) 17.322 1.930 ( -21.384 8.276 10.772) 25.334 1.958 ( 2.790 24.160 12.569) 27.376 2.176 ( -3.369 2.517 -5.929) 7.269 2.846 ( -6.429 11.460 15.482) 20.306 4.059 ( 8.832 -16.755 1.189) 18.977 4.083 ( 11.477 -17.015 -0.795) 20.540 4.919 ( -0.337 3.751 1.967) 4.249 5.007 ( -8.497 -0.514 0.243) 8.516 5.234 ( 1.908 6.735 -6.096) 9.283 5.555 ( 1.808 -1.366 -7.250) 7.596 6.297 ( 6.565 -8.275 -1.473) 10.665 6.639 ( -4.127 1.685 -1.824) 4.817 6.842 ( 6.447 4.137 -3.888) 8.590 6.895 ( -3.274 -3.371 -5.747) 7.424 7.582 ( 1.856 9.625 14.312) 17.347 7.974 ( -14.696 5.280 -3.792) 16.069 8.238 ( -0.334 -2.287 -15.458) 15.629 8.949 ( -9.628 -2.553 -7.111) 12.239 9.327 ( -4.173 9.472 -3.513) 10.931 9.380 ( 3.217 0.395 2.698) 4.217 9.607 ( 9.063 -1.674 -6.257) 11.140 9.902 ( 7.018 -10.982 -2.144) 13.208 10.615 ( 12.894 -8.916 2.208) 15.831 10.836 ( -1.851 1.645 -0.120) 2.479 11.169 ( 5.006 -14.701 3.618) 15.946 11.514 ( -0.686 -9.657 -8.009) 12.565 11.809 ( 0.586 14.410 -10.070) 17.589 12.285 ( -4.400 13.035 0.248) 13.759 12.358 ( -13.577 5.405 -5.871) 15.749 13.433 ( 12.298 -12.214 5.993) 18.339 13.505 ( 3.019 -11.470 4.021) 12.523 13.839 ( 2.495 -4.703 -1.022) 5.422 14.440 ( -3.909 4.749 3.841) 7.251 14.543 ( -3.675 6.333 2.721) 7.811 14.739 ( -3.630 7.385 8.741) 12.005 15.364 ( 1.312 -1.307 -3.921) 4.336 15.721 ( 1.867 0.106 2.679) 3.267 15.756 ( -3.445 3.540 -5.564) 7.440 16.019 ( -2.511 1.767 -4.311) 5.293 16.216 ( 0.796 1.502 1.687) 2.395 16.598 ( -7.356 11.891 1.414) 14.054 16.821 ( 3.407 -2.944 -2.938) 5.377 17.012 ( -4.387 4.931 2.496) 7.057 19.269 ( 13.265 -23.031 11.603) 29.001 ======================= Grid point 304 (93/131) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.000 -0.000 4.223) 4.223 1.877 ( -1.948 -3.897 4.108) 5.988 1.877 ( 1.948 3.897 4.108) 5.988 2.682 ( -3.606 -7.212 3.486) 8.784 2.682 ( 3.606 7.212 3.486) 8.784 2.917 ( 0.000 -0.000 2.983) 2.983 4.412 ( 0.000 0.000 2.871) 2.871 4.558 ( -4.735 -9.470 -0.968) 10.632 4.558 ( 4.735 9.470 -0.968) 10.632 5.728 ( -0.995 -1.991 1.847) 2.892 5.728 ( 0.995 1.991 1.847) 2.892 5.774 ( 0.000 -0.000 0.801) 0.801 6.350 ( -0.000 -0.000 -8.302) 8.302 7.225 ( -2.715 -5.430 1.875) 6.354 7.225 ( 2.715 5.430 1.875) 6.354 8.320 ( -6.409 -12.818 -5.029) 15.188 8.320 ( 6.409 12.818 -5.029) 15.188 8.525 ( 0.000 -0.000 -3.166) 3.166 8.623 ( -2.896 -5.793 -8.263) 10.499 8.623 ( 2.896 5.793 -8.263) 10.499 9.330 ( 0.000 -0.000 13.276) 13.276 9.693 ( -3.292 -6.583 0.955) 7.422 9.693 ( 3.292 6.583 0.955) 7.422 10.269 ( 0.000 -0.000 -3.526) 3.526 10.881 ( -0.000 -0.000 -21.930) 21.930 11.250 ( -3.790 -7.581 -11.827) 14.550 11.250 ( 3.790 7.581 -11.827) 14.550 12.725 ( -0.000 -0.000 1.358) 1.358 12.916 ( -3.059 -6.117 -1.208) 6.945 12.916 ( 3.059 6.117 -1.208) 6.945 13.314 ( 0.000 -0.000 -19.161) 19.161 13.353 ( -1.857 -3.714 -11.925) 12.627 13.353 ( 1.857 3.714 -11.925) 12.627 14.624 ( -1.791 -3.583 15.173) 15.693 14.624 ( 1.791 3.583 15.173) 15.693 14.814 ( -0.000 -0.000 13.396) 13.396 15.333 ( -2.529 -5.057 0.892) 5.724 15.333 ( 2.529 5.057 0.892) 5.724 15.511 ( 0.000 -0.000 5.503) 5.503 15.742 ( -0.000 -0.000 -6.421) 6.421 16.013 ( -0.652 -1.304 -0.058) 1.459 16.013 ( 0.652 1.304 -0.058) 1.459 17.643 ( 0.000 -0.000 9.321) 9.321 17.872 ( -3.607 -7.215 4.741) 9.357 17.872 ( 3.607 7.215 4.741) 9.357 ======================= Grid point 310 (94/131) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -3.067 14.976 0.556) 15.297 2.167 ( -2.385 17.005 5.878) 18.150 2.272 ( -7.026 6.597 -2.675) 10.002 2.353 ( -11.614 6.846 4.750) 14.294 3.203 ( -13.781 23.664 3.093) 27.559 3.682 ( 14.204 -13.043 -1.233) 19.323 3.729 ( 11.300 -15.839 0.419) 19.461 4.872 ( 9.750 2.971 -1.722) 10.337 5.132 ( -5.779 -1.270 2.071) 6.269 5.312 ( -6.335 2.183 -3.350) 7.491 5.513 ( 2.038 -0.050 -2.068) 2.904 6.092 ( 5.025 -11.573 0.568) 12.629 6.658 ( 4.397 2.671 2.605) 5.766 6.815 ( 1.778 5.286 -4.728) 7.312 6.909 ( -3.997 -5.774 -5.050) 8.650 7.683 ( -3.864 7.743 11.536) 14.421 8.116 ( -3.929 -1.367 -10.251) 11.063 8.300 ( -5.137 -4.413 -9.911) 12.004 8.908 ( -0.453 -13.375 -0.632) 13.398 9.240 ( 14.971 -15.195 -8.755) 23.058 9.356 ( -0.535 -2.672 7.163) 7.664 9.622 ( -4.595 17.729 -3.896) 18.725 9.754 ( 8.611 3.067 -1.022) 9.197 10.374 ( 1.074 -11.669 4.708) 12.629 10.821 ( 6.187 -3.577 -5.360) 8.933 10.907 ( 7.093 -4.877 -1.331) 8.710 11.426 ( -3.801 -13.813 -5.305) 15.277 12.085 ( -9.137 16.456 -7.981) 20.445 12.500 ( -6.973 10.441 -4.052) 13.193 12.636 ( -11.513 4.264 -4.286) 13.004 13.122 ( 8.191 -12.063 1.205) 14.631 13.373 ( 0.283 -8.851 -0.269) 8.859 13.685 ( 7.939 -6.436 -0.630) 10.240 14.594 ( -5.976 6.240 1.330) 8.742 14.667 ( -2.466 8.927 4.658) 10.367 14.870 ( -3.433 6.403 3.597) 8.108 15.331 ( 2.061 1.633 -2.626) 3.716 15.663 ( 2.995 -0.651 3.458) 4.621 15.854 ( -1.574 3.155 -3.080) 4.682 16.055 ( -0.376 -2.073 -2.814) 3.515 16.167 ( 4.105 0.378 -3.572) 5.455 16.714 ( 2.454 -6.209 -0.153) 6.678 16.804 ( 3.195 17.620 2.326) 18.058 17.233 ( -16.194 2.925 3.186) 16.762 18.783 ( 15.977 -19.942 14.174) 29.220 ======================= Grid point 311 (95/131) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -5.724 15.136 0.198) 16.183 2.097 ( -14.003 5.333 4.607) 15.676 2.234 ( -7.164 8.699 -4.316) 12.068 2.393 ( 0.256 14.667 8.734) 17.073 3.209 ( -13.093 24.248 2.407) 27.662 3.684 ( 4.059 -18.734 -0.639) 19.179 3.734 ( 9.202 -17.858 -0.522) 20.096 4.870 ( -11.074 -7.691 -3.208) 13.859 5.059 ( 2.971 4.800 3.531) 6.659 5.354 ( 3.761 4.410 -1.962) 6.119 5.537 ( 0.658 -0.192 -2.489) 2.581 6.124 ( 10.071 -8.642 0.182) 13.271 6.612 ( -6.209 -4.113 -6.211) 9.698 6.845 ( -0.953 0.257 1.294) 1.627 6.935 ( 5.485 4.049 -3.653) 7.735 7.775 ( -2.027 8.764 13.811) 16.482 8.010 ( -1.325 0.097 -5.880) 6.028 8.243 ( 0.288 1.952 -11.886) 12.049 8.692 ( -2.889 -14.695 -0.490) 14.984 9.334 ( 12.436 -13.499 -8.520) 20.236 9.380 ( 1.263 -0.635 3.886) 4.135 9.693 ( -2.736 8.221 -4.914) 9.961 9.831 ( -3.035 1.630 -2.369) 4.181 10.402 ( 13.377 -10.014 3.424) 17.057 10.828 ( -5.114 -3.233 -1.976) 6.364 10.928 ( 6.806 -9.051 -2.703) 11.642 11.369 ( 8.463 -3.945 -5.188) 10.682 12.106 ( -5.360 13.716 -6.264) 16.003 12.467 ( -9.006 6.059 -8.734) 13.933 12.570 ( -3.537 14.347 -0.085) 14.777 13.189 ( 11.889 -11.052 4.072) 16.736 13.331 ( 4.125 -6.015 -2.373) 7.670 13.717 ( 3.534 -7.201 -1.867) 8.236 14.524 ( -7.458 3.993 2.944) 8.957 14.712 ( -3.499 9.880 2.872) 10.867 14.868 ( -3.804 5.632 4.093) 7.934 15.355 ( -0.863 0.924 -2.369) 2.686 15.684 ( 1.155 -2.957 2.047) 3.777 15.839 ( -3.374 2.767 -3.198) 5.410 16.000 ( -1.829 -3.390 -1.852) 4.274 16.200 ( 0.421 -2.468 -3.036) 3.935 16.703 ( -3.888 -2.827 6.242) 7.878 16.852 ( -6.621 4.957 -7.708) 11.306 17.208 ( 3.808 15.359 6.280) 17.025 18.782 ( 9.201 -23.931 14.195) 29.306 ======================= Grid point 320 (96/131) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 2.488 13.948 -5.361) 15.148 2.327 ( -1.453 8.981 -2.927) 9.557 2.456 ( -0.461 11.882 -6.166) 13.395 2.617 ( -13.504 6.848 3.895) 15.635 3.331 ( 12.782 -9.150 -0.629) 15.732 3.373 ( 10.788 -11.487 -0.273) 15.761 3.751 ( -16.270 25.872 -2.782) 30.689 4.646 ( 18.644 1.844 -4.926) 19.371 5.192 ( -2.625 -0.769 5.192) 5.868 5.433 ( -1.038 1.768 -0.981) 2.273 5.511 ( -6.028 -2.547 2.353) 6.955 5.909 ( 1.084 -12.752 1.433) 12.878 6.592 ( 6.979 4.961 -3.790) 9.364 6.843 ( -0.082 2.733 3.990) 4.837 6.936 ( -4.523 -3.010 -3.138) 6.274 7.852 ( -7.109 3.906 8.365) 11.652 8.158 ( -1.761 -3.844 -5.871) 7.235 8.274 ( -0.460 -3.972 -12.461) 13.087 8.779 ( 0.493 -10.540 -1.723) 10.692 8.858 ( 9.544 -14.531 -4.247) 17.896 9.369 ( -2.578 -2.226 11.073) 11.585 9.606 ( 8.639 4.978 0.722) 9.997 9.815 ( -0.139 9.697 -5.044) 10.932 10.331 ( -5.105 -7.847 2.807) 9.773 10.631 ( 4.642 -6.205 -8.176) 11.264 10.813 ( 3.944 0.191 -6.893) 7.944 11.374 ( -6.902 -15.598 -3.676) 17.449 12.352 ( -4.221 11.500 -2.996) 12.611 12.709 ( -5.595 2.688 -1.332) 6.348 12.786 ( -3.424 -2.218 -3.309) 5.253 12.967 ( -3.974 -5.888 -4.936) 8.650 13.318 ( -1.481 -5.381 -2.020) 5.936 13.470 ( 7.962 -5.404 -1.340) 9.716 14.716 ( 1.587 8.433 3.618) 9.312 14.829 ( -5.173 8.867 2.433) 10.550 14.990 ( -2.344 6.476 0.777) 6.931 15.339 ( -0.003 4.201 -2.141) 4.715 15.626 ( 0.488 0.797 2.639) 2.799 15.809 ( 7.726 -3.582 1.408) 8.632 16.005 ( 1.776 -0.236 -6.125) 6.381 16.126 ( 3.040 2.060 -7.316) 8.186 16.621 ( -1.261 -8.451 -2.215) 8.827 16.881 ( 7.526 17.524 4.698) 19.642 17.578 ( -18.560 3.336 6.965) 20.103 18.336 ( 14.379 -15.962 13.485) 25.365 ======================= Grid point 321 (97/131) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -2.406 12.606 -6.956) 14.597 2.325 ( -8.245 4.151 -5.883) 10.946 2.483 ( -8.579 9.134 -2.194) 12.722 2.551 ( -2.236 12.513 0.553) 12.723 3.394 ( 8.412 -14.913 -2.398) 17.289 3.412 ( 8.566 -14.057 -0.186) 16.462 3.748 ( -16.452 28.135 -1.958) 32.651 4.943 ( 4.863 1.442 -0.517) 5.099 5.035 ( -4.777 -5.697 -2.906) 7.983 5.371 ( -2.241 2.812 3.962) 5.350 5.513 ( 2.096 0.099 0.783) 2.239 5.866 ( 7.781 -10.446 2.664) 13.296 6.629 ( -1.128 -6.058 -8.829) 10.766 6.885 ( 1.642 6.844 6.705) 9.721 6.918 ( -1.809 2.551 -2.273) 3.866 7.853 ( 0.950 9.174 12.209) 15.301 8.069 ( -4.975 -3.138 -5.523) 8.068 8.250 ( 0.810 -1.165 -9.304) 9.412 8.610 ( -4.291 -14.225 -0.477) 14.866 8.917 ( 14.019 -14.857 -10.110) 22.792 9.342 ( 2.002 -0.433 10.350) 10.551 9.812 ( 7.488 3.110 3.057) 8.665 9.838 ( -4.194 0.924 -2.741) 5.095 10.216 ( -0.001 -1.853 -0.943) 2.079 10.675 ( 7.576 -5.561 -9.841) 13.608 10.890 ( -0.943 -2.225 1.010) 2.620 11.164 ( 4.770 -10.465 -8.113) 14.075 12.361 ( -6.843 10.368 -2.965) 12.772 12.634 ( -6.033 1.306 -3.797) 7.247 12.760 ( -2.941 8.929 -0.974) 9.452 12.912 ( 6.763 -7.937 -0.274) 10.432 13.252 ( -0.479 -3.500 -4.180) 5.473 13.546 ( 7.060 -6.995 -1.715) 10.085 14.729 ( -8.997 7.223 0.825) 11.567 14.863 ( -1.687 9.989 4.512) 11.090 14.994 ( -4.020 5.640 -0.485) 6.943 15.386 ( 0.109 4.037 -1.640) 4.359 15.634 ( 0.917 -2.639 1.607) 3.223 15.858 ( 2.387 -3.888 2.317) 5.117 15.994 ( -1.514 -2.183 -6.511) 7.032 16.177 ( 0.547 0.305 -7.266) 7.292 16.561 ( 5.847 -7.432 -6.020) 11.209 17.173 ( -7.348 13.704 7.250) 17.157 17.310 ( -5.527 8.216 6.761) 11.990 18.381 ( 11.099 -19.509 14.002) 26.454 ======================= Grid point 322 (98/131) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -13.304 -0.289 -4.016) 13.900 2.255 ( -6.272 10.513 -7.942) 14.592 2.453 ( -7.922 8.542 -4.119) 12.357 2.637 ( -3.059 12.784 7.277) 15.025 3.346 ( 4.327 -15.665 -2.456) 16.436 3.370 ( 3.216 -15.517 0.191) 15.848 3.755 ( -13.244 27.323 -3.857) 30.608 4.641 ( -13.164 -15.147 -4.439) 20.553 5.151 ( 2.816 3.914 4.677) 6.718 5.408 ( 1.318 1.153 1.703) 2.443 5.555 ( 3.296 1.938 2.694) 4.678 5.957 ( 12.077 -7.676 0.109) 14.311 6.530 ( -5.799 -2.658 -10.654) 12.418 6.865 ( -0.423 0.822 3.869) 3.978 7.010 ( 2.611 2.573 1.491) 3.957 7.866 ( -8.274 1.185 4.707) 9.593 8.075 ( 6.801 5.000 2.247) 8.735 8.281 ( 3.045 1.818 -7.952) 8.707 8.495 ( 2.987 -3.036 -0.584) 4.299 9.025 ( 15.484 -15.341 -10.185) 24.058 9.358 ( -1.713 -1.135 3.687) 4.221 9.724 ( -4.334 -3.836 0.603) 5.819 9.863 ( -4.388 0.680 -2.040) 4.886 10.293 ( 7.225 -0.754 1.689) 7.458 10.716 ( -0.742 -6.816 -7.785) 10.373 10.800 ( 5.410 -3.740 -5.951) 8.870 11.337 ( 14.893 -0.071 -2.924) 15.177 12.336 ( -6.966 9.105 1.088) 11.515 12.572 ( -2.787 3.997 -7.051) 8.570 12.847 ( 0.295 12.159 -2.950) 12.516 13.009 ( 10.617 -6.836 -0.642) 12.643 13.243 ( 4.030 -3.052 -2.228) 5.525 13.562 ( 3.263 -7.696 -3.580) 9.093 14.617 ( -9.997 5.180 3.812) 11.887 14.907 ( -4.825 8.146 0.547) 9.484 14.969 ( -4.198 4.242 3.369) 6.854 15.416 ( -2.212 5.459 -1.747) 6.144 15.590 ( -0.601 -6.624 -0.544) 6.674 15.826 ( -0.377 -5.461 3.269) 6.375 15.934 ( -3.115 -0.617 -6.493) 7.228 16.145 ( -2.271 -2.513 -5.765) 6.686 16.638 ( 4.139 -2.885 0.587) 5.079 16.904 ( -13.997 0.926 -0.988) 14.062 17.566 ( 5.354 18.596 8.974) 21.331 18.333 ( 6.659 -20.466 13.370) 25.337 ======================= Grid point 328 (99/131) ======================= q-point: (-0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 6.517 13.170 -7.178) 16.353 2.385 ( 4.383 4.712 -9.521) 11.492 2.517 ( 4.207 8.414 -3.803) 10.146 2.923 ( -0.550 -2.223 0.517) 2.347 3.016 ( -0.365 1.647 2.292) 2.846 3.226 ( -1.239 -2.208 -1.849) 3.135 4.259 ( -6.540 18.962 -4.599) 20.579 4.266 ( 20.000 4.407 -5.623) 21.237 5.203 ( 0.149 -1.779 5.605) 5.883 5.422 ( 1.226 0.451 2.976) 3.250 5.586 ( -3.013 -4.155 5.388) 7.441 5.843 ( -8.367 -10.431 -1.264) 13.432 6.528 ( 5.293 4.774 -10.038) 12.311 6.867 ( -0.959 -0.329 5.569) 5.660 7.002 ( -2.493 1.941 2.110) 3.799 7.916 ( 2.995 -0.137 3.570) 4.662 8.107 ( -1.476 -3.578 0.020) 3.870 8.310 ( -2.905 -2.117 -9.907) 10.539 8.576 ( 4.419 -12.614 3.428) 13.798 8.788 ( -11.278 -7.192 -10.270) 16.864 9.358 ( 2.674 1.905 6.931) 7.669 9.615 ( -3.173 4.591 1.801) 5.864 9.865 ( 2.289 5.255 -2.814) 6.386 10.318 ( -1.206 -5.991 1.377) 6.264 10.600 ( -3.544 1.033 -8.822) 9.563 10.770 ( -0.822 -2.688 -8.964) 9.394 11.347 ( -7.796 -15.323 -2.665) 17.397 12.448 ( 4.509 6.780 0.432) 8.154 12.649 ( 2.295 -5.902 -1.485) 6.504 12.892 ( -8.617 -3.662 -3.998) 10.181 13.009 ( -0.686 -4.652 -4.461) 6.482 13.232 ( 2.395 -3.839 -0.460) 4.548 13.431 ( -5.302 -0.054 -4.608) 7.025 14.709 ( 7.874 7.458 5.516) 12.168 14.963 ( 0.833 7.078 0.151) 7.129 15.038 ( 3.172 2.993 1.891) 4.753 15.432 ( -4.717 5.802 -2.933) 8.032 15.592 ( 10.004 -4.273 0.559) 10.893 15.688 ( -5.134 3.228 2.645) 6.616 15.966 ( 3.504 0.811 -8.272) 9.020 16.111 ( 1.119 3.235 -5.884) 6.807 16.599 ( -4.581 -6.482 -1.689) 8.115 16.907 ( 8.101 15.064 2.933) 17.353 17.901 ( -2.451 -4.390 10.782) 11.896 17.985 ( -2.924 -5.693 11.264) 12.955 ======================= Grid point 330 (100/131) ======================= q-point: (-0.33 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 2.245 9.587 -10.982) 14.749 2.468 ( -1.100 6.056 -11.676) 13.199 2.618 ( -0.794 3.086 -5.627) 6.467 2.780 ( -9.791 9.574 -2.529) 13.926 3.122 ( 10.205 -9.732 -0.164) 14.102 3.176 ( 1.887 -8.387 -2.316) 8.903 4.298 ( -13.633 26.763 -4.263) 30.336 4.719 ( 21.828 4.445 -4.463) 22.718 5.089 ( -7.643 -9.950 0.084) 12.547 5.452 ( -0.657 -2.189 6.883) 7.253 5.493 ( -2.902 3.332 3.316) 5.525 5.670 ( 1.864 -10.067 4.374) 11.133 6.559 ( 0.047 -7.292 -12.561) 14.524 6.908 ( 3.426 8.559 4.805) 10.396 7.032 ( -3.056 5.335 6.503) 8.949 7.938 ( -1.220 5.385 8.125) 9.824 8.073 ( 0.505 -3.115 0.767) 3.247 8.233 ( -2.389 -3.467 -7.406) 8.519 8.516 ( 1.234 -10.330 -3.482) 10.971 8.633 ( 2.578 -9.168 -10.789) 14.391 9.328 ( -1.876 -2.006 17.267) 17.484 9.698 ( 5.848 4.099 0.204) 7.144 9.877 ( -1.936 -3.812 1.068) 4.407 10.258 ( -1.890 0.895 -4.405) 4.876 10.591 ( 0.241 3.143 -11.769) 12.184 10.817 ( 6.810 -0.191 -4.885) 8.383 11.049 ( -6.800 -15.688 -4.956) 17.802 12.522 ( -3.002 5.460 -2.111) 6.578 12.670 ( 4.766 -4.026 1.681) 6.462 12.730 ( -3.324 -3.684 -1.725) 5.253 12.939 ( -4.162 2.264 -3.945) 6.165 13.258 ( -0.323 -0.930 -3.329) 3.472 13.375 ( 3.109 -4.131 -3.087) 6.022 14.901 ( 2.806 9.204 3.378) 10.198 14.987 ( -5.077 6.349 1.651) 8.296 15.093 ( -0.671 2.845 0.517) 2.969 15.441 ( -0.982 6.101 -2.234) 6.571 15.627 ( -3.142 -0.980 0.975) 3.433 15.699 ( 7.903 -6.399 1.243) 10.245 16.001 ( 0.168 -0.250 -9.233) 9.238 16.176 ( 1.874 3.162 -7.657) 8.493 16.428 ( -1.583 -9.274 -7.221) 11.860 17.271 ( 10.111 19.553 8.917) 23.750 17.629 ( -19.881 1.777 9.342) 22.038 18.005 ( 11.099 -16.940 12.463) 23.780 ======================= Grid point 331 (101/131) ======================= q-point: (-0.22 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -8.123 1.241 -10.482) 13.320 2.445 ( -6.431 5.928 -11.831) 14.713 2.610 ( -2.707 3.196 -7.417) 8.518 2.809 ( -1.935 12.604 0.386) 12.757 3.100 ( 3.408 -13.608 -2.726) 14.290 3.188 ( 6.094 -6.848 -1.115) 9.234 4.294 ( -16.469 24.831 -4.821) 30.184 4.734 ( -15.122 -17.385 -4.028) 23.391 5.070 ( 11.964 3.404 -0.356) 12.444 5.413 ( -0.500 1.666 7.458) 7.658 5.533 ( 0.968 1.871 4.856) 5.293 5.681 ( 9.458 -7.471 3.123) 12.451 6.533 ( 3.377 -1.956 -13.359) 13.917 6.932 ( -7.967 -0.595 3.585) 8.757 7.041 ( -0.326 5.206 7.809) 9.391 7.986 ( -5.508 -0.749 4.737) 7.303 8.041 ( 2.717 2.988 4.737) 6.225 8.213 ( 5.234 -0.685 -1.862) 5.598 8.449 ( 0.134 -0.857 -6.874) 6.929 8.663 ( 10.407 -9.036 -12.573) 18.656 9.337 ( 2.936 -0.036 15.122) 15.404 9.741 ( -4.011 -6.237 0.442) 7.429 9.857 ( 5.167 1.332 2.486) 5.887 10.253 ( -0.760 2.450 -5.036) 5.652 10.635 ( 0.767 0.174 -13.975) 13.997 10.782 ( -4.495 -5.439 -1.768) 7.274 11.050 ( 15.787 -1.847 -5.547) 16.834 12.526 ( -3.972 6.955 0.627) 8.034 12.605 ( -1.624 -3.002 -2.608) 4.295 12.786 ( 8.134 -3.789 -0.473) 8.985 12.939 ( -0.535 5.510 -2.810) 6.209 13.216 ( -2.133 0.322 -3.647) 4.237 13.416 ( 5.266 -5.566 -3.450) 8.404 14.861 ( -10.932 5.025 2.818) 12.357 15.041 ( -0.493 6.597 3.523) 7.495 15.069 ( -4.163 0.702 -0.668) 4.274 15.505 ( -0.184 8.012 -1.299) 8.118 15.547 ( -2.422 -5.705 -1.134) 6.300 15.729 ( 3.394 -7.021 2.285) 8.126 15.984 ( -1.707 0.730 -9.191) 9.377 16.177 ( -3.253 -0.146 -7.267) 7.963 16.440 ( 9.756 -3.932 -7.455) 12.892 17.269 ( -21.856 1.141 7.933) 23.279 17.633 ( 8.232 18.253 10.401) 22.564 18.001 ( 8.934 -18.207 12.222) 23.679 ======================= Grid point 340 (102/131) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 0.000 -13.744) 13.744 2.593 ( -2.292 -4.584 -11.077) 12.205 2.593 ( 2.292 4.584 -11.077) 12.205 2.963 ( -3.256 -6.511 -2.631) 7.740 2.963 ( 3.256 6.511 -2.631) 7.740 3.063 ( -0.000 -0.000 -0.484) 0.484 4.777 ( -5.740 -11.479 -4.922) 13.746 4.777 ( 5.740 11.479 -4.922) 13.746 4.782 ( -0.000 -0.000 -2.819) 2.819 5.441 ( -0.000 0.000 9.178) 9.178 5.541 ( -0.492 -0.985 6.332) 6.427 5.541 ( 0.492 0.985 6.332) 6.427 6.467 ( 0.000 0.000 -14.805) 14.805 7.054 ( -1.552 -3.105 6.843) 7.673 7.054 ( 1.552 3.105 6.843) 7.673 8.029 ( 0.000 -0.000 5.819) 5.819 8.089 ( -3.181 -6.361 3.345) 7.860 8.089 ( 3.181 6.361 3.345) 7.860 8.485 ( -2.158 -4.316 -12.329) 13.240 8.485 ( 2.158 4.316 -12.329) 13.240 9.302 ( 0.000 0.000 21.419) 21.419 9.775 ( -1.686 -3.372 1.161) 3.945 9.775 ( 1.686 3.372 1.161) 3.945 10.282 ( 0.000 -0.000 -8.070) 8.070 10.709 ( -0.000 -0.000 -18.380) 18.380 10.810 ( -1.300 -2.600 -1.868) 3.456 10.810 ( 1.300 2.600 -1.868) 3.456 12.577 ( 0.000 0.000 -1.368) 1.368 12.653 ( -1.759 -3.518 -0.339) 3.948 12.653 ( 1.759 3.518 -0.339) 3.948 12.973 ( -0.000 0.000 -2.839) 2.839 13.291 ( -1.959 -3.917 -3.477) 5.592 13.291 ( 1.959 3.917 -3.477) 5.592 15.046 ( -1.755 -3.510 1.614) 4.243 15.046 ( 1.755 3.510 1.614) 4.243 15.091 ( -0.000 0.000 3.711) 3.711 15.579 ( -1.592 -3.184 -2.148) 4.157 15.579 ( 1.592 3.184 -2.148) 4.157 15.592 ( -0.000 0.000 2.114) 2.114 16.000 ( -0.000 -0.000 -10.371) 10.371 16.268 ( -2.848 -5.697 -7.978) 10.208 16.268 ( 2.848 5.697 -7.978) 10.208 17.645 ( -0.000 -0.000 9.766) 9.766 17.653 ( -5.352 -10.704 11.074) 16.305 17.653 ( 5.352 10.704 11.074) 16.305 ======================= Grid point 364 (103/131) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 0.000 5.269) 5.269 1.699 ( -0.000 -0.000 5.269) 5.269 1.707 ( 0.000 0.000 11.407) 11.407 2.031 ( 0.000 0.000 -5.789) 5.789 3.131 ( 0.000 0.000 11.141) 11.141 4.680 ( 0.000 0.000 1.857) 1.857 4.680 ( 0.000 0.000 1.857) 1.857 4.736 ( 0.000 0.000 -0.124) 0.124 4.736 ( 0.000 -0.000 -0.124) 0.124 4.926 ( 0.000 0.000 -5.116) 5.116 5.457 ( 0.000 0.000 -4.469) 4.469 6.453 ( 0.000 0.000 -1.352) 1.352 6.453 ( -0.000 -0.000 -1.352) 1.352 6.790 ( 0.000 0.000 -1.824) 1.824 6.790 ( 0.000 0.000 -1.824) 1.824 7.674 ( 0.000 0.000 13.177) 13.177 7.674 ( 0.000 -0.000 13.177) 13.177 8.106 ( 0.000 0.000 -14.972) 14.972 8.106 ( 0.000 -0.000 -14.972) 14.972 9.469 ( 0.000 0.000 0.906) 0.906 9.526 ( 0.000 0.000 -0.450) 0.450 9.526 ( 0.000 -0.000 -0.450) 0.450 10.285 ( 0.000 0.000 -0.209) 0.209 10.807 ( 0.000 0.000 -1.123) 1.123 10.807 ( -0.000 0.000 -1.123) 1.123 11.102 ( 0.000 0.000 -4.571) 4.571 11.892 ( 0.000 0.000 1.658) 1.658 11.892 ( 0.000 -0.000 1.658) 1.658 11.952 ( -0.000 0.000 -0.788) 0.788 11.952 ( 0.000 -0.000 -0.788) 0.788 13.841 ( -0.000 0.000 -0.278) 0.278 13.841 ( 0.000 -0.000 -0.278) 0.278 14.359 ( 0.000 0.000 22.140) 22.140 14.391 ( -0.000 0.000 0.078) 0.078 14.391 ( 0.000 -0.000 0.078) 0.078 14.818 ( 0.000 0.000 9.926) 9.926 15.081 ( 0.000 -0.000 -9.119) 9.119 15.399 ( 0.000 0.000 -15.260) 15.260 15.860 ( 0.000 0.000 1.595) 1.595 15.860 ( 0.000 0.000 1.595) 1.595 16.049 ( 0.000 0.000 -2.599) 2.599 16.387 ( 0.000 0.000 0.134) 0.134 16.916 ( 0.000 0.000 0.750) 0.750 16.916 ( 0.000 0.000 0.750) 0.750 19.886 ( 0.000 0.000 1.048) 1.048 ======================= Grid point 365 (104/131) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.589 1.841 8.838) 9.715 1.764 ( 8.704 -3.272 6.765) 11.499 1.965 ( 11.552 13.498 2.799) 17.985 2.052 ( 4.835 3.128 -4.007) 7.015 3.069 ( -4.283 -4.100 9.461) 11.165 4.344 ( -17.253 -10.675 0.473) 20.294 4.385 ( -15.561 -8.169 0.498) 17.582 4.846 ( 0.795 0.043 -2.078) 2.226 4.962 ( 10.777 1.189 1.064) 10.894 5.043 ( 6.086 8.993 -1.595) 10.975 5.442 ( -0.413 -0.587 -3.615) 3.686 6.400 ( -4.421 -1.039 -1.148) 4.684 6.510 ( 4.390 1.746 -2.025) 5.141 6.740 ( -1.894 -4.078 0.470) 4.521 6.861 ( 2.599 4.232 -3.097) 5.853 7.650 ( 4.621 -5.452 12.230) 14.165 7.999 ( 1.303 4.133 3.540) 5.596 8.029 ( 6.421 20.313 -5.531) 22.010 8.327 ( 21.986 0.962 -16.386) 27.437 9.380 ( -2.976 -6.547 1.603) 7.368 9.435 ( -9.236 -0.447 -1.560) 9.378 9.566 ( 1.532 -0.592 0.403) 1.691 10.100 ( -14.153 -5.784 -2.222) 15.450 10.774 ( -1.741 -0.326 2.750) 3.271 10.802 ( -0.979 0.007 -1.077) 1.455 11.266 ( 11.880 3.593 -6.283) 13.911 11.567 ( -20.957 -10.491 1.051) 23.459 11.709 ( -7.575 -2.534 0.169) 7.989 12.066 ( 7.412 0.840 1.008) 7.527 12.200 ( 10.725 7.951 -2.106) 13.516 13.695 ( -11.239 -2.943 1.178) 11.677 13.840 ( -0.190 -3.283 -0.969) 3.428 14.017 ( -19.826 -7.300 7.026) 22.265 14.420 ( 3.640 -0.024 1.198) 3.832 14.494 ( 3.613 1.125 3.996) 5.503 14.912 ( 4.387 3.163 14.556) 15.528 15.192 ( 4.331 1.553 -9.831) 10.854 15.442 ( 6.103 2.588 -9.881) 11.899 15.820 ( -2.909 -1.446 1.412) 3.542 15.926 ( 3.633 1.996 0.068) 4.146 16.143 ( 7.552 3.091 -0.673) 8.187 16.419 ( 3.306 0.991 -0.078) 3.452 16.889 ( -2.854 -0.266 0.163) 2.871 16.966 ( 4.847 2.907 0.714) 5.697 19.716 ( -13.898 -7.775 2.040) 16.055 ======================= Grid point 366 (105/131) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 4.006 0.507 6.767) 7.881 1.936 ( 12.749 -1.133 4.777) 13.662 2.057 ( 2.188 1.402 -5.952) 6.494 2.515 ( 19.596 20.149 7.437) 29.074 2.936 ( -1.016 -8.335 2.429) 8.741 3.909 ( -19.039 -11.152 -0.331) 22.068 4.014 ( -16.288 -10.088 0.842) 19.177 4.788 ( -5.087 -3.940 -3.284) 7.223 5.126 ( 8.402 -1.621 2.495) 8.914 5.233 ( 4.352 10.219 -1.907) 11.269 5.462 ( 2.578 1.050 -0.670) 2.863 6.293 ( -7.381 0.429 -0.087) 7.394 6.536 ( -1.149 -7.703 -4.883) 9.193 6.721 ( 4.146 1.047 4.287) 6.055 6.943 ( 0.906 6.228 -2.913) 6.935 7.732 ( 8.694 -1.557 10.088) 13.408 7.946 ( -3.031 2.059 -8.377) 9.143 8.277 ( -0.824 11.586 -6.089) 13.114 8.878 ( 22.519 3.968 -9.518) 24.768 9.183 ( -10.777 -8.142 1.987) 13.652 9.330 ( 2.827 -0.192 0.117) 2.836 9.573 ( -1.444 3.099 2.465) 4.215 9.782 ( -13.345 -7.377 -1.183) 15.294 10.731 ( -5.514 2.775 6.509) 8.970 10.768 ( -0.728 -5.137 0.391) 5.203 11.036 ( -22.789 -7.474 -6.942) 24.968 11.538 ( 10.214 -4.983 -4.028) 12.057 11.670 ( 5.039 12.487 0.163) 13.466 12.213 ( 8.767 1.194 -2.265) 9.133 12.473 ( 11.187 7.790 -2.373) 13.837 13.418 ( -16.193 -5.179 1.993) 17.117 13.648 ( -11.090 -4.452 2.201) 12.151 13.770 ( -6.573 -2.756 -1.228) 7.232 14.502 ( 4.494 0.889 -0.287) 4.590 14.596 ( 6.961 2.083 3.403) 8.023 14.988 ( 1.457 2.491 12.175) 12.513 15.193 ( -0.224 -3.274 -7.986) 8.634 15.621 ( 7.376 1.922 -4.556) 8.880 15.751 ( -2.667 -1.362 1.172) 3.216 15.984 ( 1.505 0.672 -1.529) 2.248 16.211 ( -2.335 -2.719 1.817) 4.018 16.545 ( 9.737 -1.435 1.785) 10.002 16.819 ( -5.591 1.807 -1.579) 6.084 17.177 ( 12.635 9.073 0.457) 15.562 19.301 ( -20.790 -11.367 3.642) 23.973 ======================= Grid point 367 (106/131) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.488 -2.042 3.013) 3.932 2.085 ( 5.192 -2.455 -5.682) 8.079 2.191 ( 10.690 1.970 2.987) 11.272 2.738 ( -1.383 2.126 9.497) 9.830 3.205 ( 25.847 9.740 -4.168) 27.934 3.490 ( -15.528 -10.170 -0.410) 18.566 3.625 ( -15.570 -10.167 1.035) 18.624 4.590 ( -11.061 -7.296 -2.678) 13.519 5.229 ( 6.111 -2.921 3.219) 7.499 5.388 ( 2.080 7.800 -2.596) 8.480 5.548 ( 5.060 3.298 1.967) 6.353 6.160 ( -8.927 2.225 1.199) 9.278 6.387 ( -2.731 -11.912 -5.478) 13.392 6.835 ( 6.316 1.017 4.734) 7.959 7.020 ( -0.978 8.726 -1.938) 8.992 7.894 ( 8.562 -1.188 7.207) 11.255 7.967 ( 1.958 7.642 -9.505) 12.352 8.270 ( -8.549 3.723 -6.663) 11.460 8.931 ( -4.205 -7.475 -5.803) 10.355 8.991 ( -4.952 -0.824 0.783) 5.081 9.450 ( -5.120 -9.327 -2.428) 10.913 9.569 ( 6.318 -0.788 4.691) 7.909 9.598 ( -0.289 5.055 2.670) 5.723 10.605 ( -7.630 -2.596 5.860) 9.965 10.657 ( -11.751 0.230 -5.378) 12.925 10.717 ( -4.304 -2.732 -4.469) 6.779 11.565 ( -0.605 1.501 -1.613) 2.285 12.069 ( 17.754 10.793 0.606) 20.786 12.409 ( 11.577 3.373 -7.210) 14.050 12.734 ( 9.791 6.818 -2.082) 12.111 13.095 ( -13.765 -3.879 0.735) 14.320 13.482 ( -5.914 -2.340 0.164) 6.363 13.590 ( -9.640 -2.922 0.376) 10.080 14.592 ( 5.115 1.119 -1.273) 5.388 14.756 ( 7.692 1.810 3.625) 8.694 15.024 ( 0.089 1.149 9.195) 9.266 15.185 ( 3.379 -1.340 -5.093) 6.257 15.638 ( -1.493 -3.777 -0.446) 4.086 15.755 ( 1.187 0.153 -2.265) 2.562 15.987 ( -1.351 -1.588 -2.197) 3.029 16.061 ( -7.405 -5.411 1.382) 9.275 16.648 ( 9.998 -14.073 7.345) 18.760 16.759 ( -8.207 12.613 -6.037) 16.214 17.547 ( 16.374 11.424 1.415) 20.016 18.816 ( -20.717 -11.254 4.278) 23.962 ======================= Grid point 368 (107/131) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.763 -4.298 -0.475) 4.391 2.130 ( 2.935 -3.076 -4.840) 6.442 2.336 ( 5.861 -2.626 2.897) 7.046 2.859 ( 10.356 7.272 2.000) 12.811 3.155 ( -11.752 -12.249 2.343) 17.136 3.273 ( -8.186 -5.098 -0.249) 9.647 3.784 ( 22.998 10.844 -1.829) 25.492 4.256 ( -16.896 -10.333 -2.491) 19.961 5.282 ( 3.161 -2.678 3.675) 5.538 5.448 ( -0.176 1.644 0.415) 1.705 5.692 ( 4.706 4.976 1.485) 7.008 6.048 ( -7.131 4.712 1.192) 8.630 6.239 ( -0.765 -9.121 -7.384) 11.761 6.945 ( 6.429 -2.041 5.734) 8.853 7.066 ( -4.181 8.492 -1.606) 9.601 7.956 ( 0.617 -0.694 -0.710) 1.169 8.085 ( -4.788 1.944 -8.279) 9.759 8.184 ( 3.122 4.876 -0.695) 5.831 8.841 ( -2.610 0.333 -0.775) 2.743 8.917 ( -4.818 4.921 2.130) 7.209 9.215 ( -2.440 -13.524 -3.078) 14.083 9.656 ( 0.955 4.228 0.651) 4.383 9.669 ( 3.739 -2.026 2.074) 4.732 10.469 ( -4.130 -7.147 2.922) 8.757 10.526 ( -4.032 7.335 -5.589) 10.065 10.663 ( -1.749 0.669 -4.558) 4.928 11.566 ( -1.875 3.135 -0.911) 3.765 12.344 ( 5.883 2.995 3.028) 7.263 12.675 ( 10.341 5.025 -9.429) 14.869 12.840 ( -8.414 -0.524 3.725) 9.216 12.962 ( 4.729 3.362 -4.935) 7.617 13.329 ( -6.044 -4.578 0.028) 7.582 13.463 ( -3.812 2.225 0.516) 4.444 14.695 ( 4.026 -0.188 1.418) 4.272 14.867 ( 4.175 0.118 3.687) 5.571 15.004 ( -0.569 -2.487 2.661) 3.687 15.286 ( 5.562 2.108 -1.025) 6.036 15.589 ( -0.593 -2.975 -3.066) 4.313 15.721 ( -2.222 -2.208 2.449) 3.976 15.849 ( -4.975 -4.200 -2.577) 7.003 15.991 ( 0.089 -1.205 -1.488) 1.917 16.635 ( 7.341 -15.461 7.419) 18.654 16.783 ( -6.226 14.320 -6.302) 16.839 17.946 ( 16.118 10.679 2.898) 19.550 18.369 ( -18.015 -9.861 3.999) 20.922 ======================= Grid point 369 (108/131) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 5.177 -3.571 -1.056) 6.377 2.106 ( -1.065 -5.092 -2.645) 5.836 2.365 ( -0.649 -2.505 0.037) 2.588 2.824 ( -7.007 -11.564 5.232) 14.499 3.197 ( 12.774 9.352 -1.314) 15.886 3.259 ( 8.902 3.194 0.988) 9.509 3.793 ( -21.786 -13.201 -2.752) 25.621 4.244 ( 17.990 7.994 -1.321) 19.731 5.281 ( -0.281 -2.748 3.997) 4.859 5.434 ( -1.178 -1.519 0.948) 2.143 5.715 ( -5.588 0.410 0.203) 5.606 6.064 ( 3.177 5.482 0.311) 6.343 6.215 ( 3.052 0.915 -6.314) 7.072 6.987 ( -0.313 -2.726 4.294) 5.096 7.049 ( -3.217 2.827 -2.350) 4.885 7.877 ( -3.428 -5.161 3.931) 7.338 8.084 ( 2.012 3.470 -5.260) 6.615 8.226 ( -4.141 0.607 -4.931) 6.468 8.774 ( -5.917 2.113 6.490) 9.033 8.986 ( 3.530 7.672 -5.382) 10.014 9.191 ( 7.286 2.290 -0.850) 7.684 9.672 ( 2.599 -6.231 -1.376) 6.890 9.700 ( -0.289 1.379 -0.440) 1.476 10.387 ( 2.134 -4.204 4.145) 6.278 10.596 ( 0.994 9.683 -4.740) 10.827 10.679 ( 2.504 1.866 -6.994) 7.659 11.561 ( -2.749 3.592 -0.217) 4.528 12.382 ( -1.114 -2.153 1.352) 2.775 12.558 ( -15.130 -5.913 0.092) 16.245 12.903 ( -0.858 0.967 -1.478) 1.963 12.953 ( 0.851 -0.040 -4.977) 5.050 13.339 ( 4.563 6.333 -0.785) 7.845 13.471 ( 2.426 2.152 -0.476) 3.278 14.653 ( -4.237 -4.653 5.086) 8.091 14.886 ( -1.713 -2.938 1.561) 3.742 15.021 ( 3.203 0.051 1.940) 3.745 15.315 ( -2.582 -4.923 -4.120) 6.919 15.538 ( 1.281 1.092 1.619) 2.335 15.776 ( 0.752 -1.882 -3.597) 4.129 15.805 ( 7.523 3.126 2.578) 8.545 16.000 ( 1.856 -0.100 -2.290) 2.949 16.616 ( 8.405 -15.496 7.563) 19.182 16.808 ( -7.584 14.505 -7.183) 17.875 17.942 ( -17.081 -9.619 3.350) 19.887 18.369 ( 17.238 11.002 3.990) 20.835 ======================= Grid point 370 (109/131) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 5.922 -2.298 -2.906) 6.985 2.002 ( -3.671 -5.782 2.107) 7.165 2.204 ( -9.931 -8.047 1.098) 12.829 2.744 ( 2.993 -0.492 9.527) 9.998 3.209 ( -23.324 -15.512 -4.950) 28.445 3.495 ( 15.880 8.118 -0.810) 17.853 3.634 ( 16.295 9.602 0.209) 18.915 4.570 ( 11.932 4.555 -0.808) 12.797 5.219 ( -2.797 -3.857 4.115) 6.296 5.377 ( -3.732 -1.433 -1.923) 4.437 5.588 ( -7.001 -1.132 -1.080) 7.174 6.193 ( 5.993 2.523 -1.386) 6.648 6.342 ( 5.200 7.293 -2.293) 9.246 6.897 ( -5.532 -2.174 0.176) 5.946 7.006 ( -2.878 -1.782 -1.604) 3.746 7.788 ( 0.841 -8.165 6.580) 10.520 8.093 ( -8.665 4.557 -10.669) 14.481 8.186 ( 2.651 -0.514 1.276) 2.986 8.732 ( -2.463 6.788 10.033) 12.361 9.126 ( 7.241 0.480 -9.150) 11.678 9.420 ( 6.266 8.865 1.261) 10.929 9.645 ( 2.766 -6.951 -2.451) 7.872 9.664 ( -4.495 1.606 -4.431) 6.513 10.492 ( 13.474 -0.625 6.418) 14.938 10.713 ( 2.049 6.759 -2.624) 7.534 10.791 ( 4.507 7.045 -9.515) 12.668 11.534 ( -4.070 2.536 1.673) 5.078 12.147 ( -18.968 -12.267 -6.689) 23.559 12.300 ( -5.415 -2.236 2.842) 6.511 12.693 ( -10.415 -7.439 1.414) 12.876 13.152 ( 10.492 7.852 -4.139) 13.743 13.471 ( 2.134 8.670 1.435) 9.043 13.607 ( 8.578 2.760 -1.585) 9.150 14.539 ( -3.033 -3.682 4.037) 6.249 14.774 ( -6.085 -4.765 1.167) 7.817 15.028 ( -2.029 -0.410 8.154) 8.413 15.219 ( 0.126 -4.893 -7.173) 8.684 15.631 ( 3.776 3.194 -0.719) 4.998 15.752 ( -0.192 -3.319 -1.278) 3.562 15.953 ( 2.983 1.552 1.411) 3.646 16.091 ( 7.531 3.051 -1.636) 8.288 16.607 ( 8.010 -15.950 7.543) 19.377 16.814 ( -8.060 14.369 -7.725) 18.196 17.537 ( -17.538 -9.978 2.569) 20.340 18.815 ( 20.048 12.443 4.356) 23.994 ======================= Grid point 371 (110/131) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -5.391 -5.111 3.834) 8.360 1.931 ( -5.048 -11.091 6.694) 13.903 2.008 ( 0.637 -0.053 -4.391) 4.437 2.534 ( -28.309 -7.374 6.080) 29.879 2.934 ( 8.310 -2.963 2.381) 9.138 3.908 ( 19.531 10.037 -0.151) 21.959 4.025 ( 16.231 10.330 -0.255) 19.241 4.754 ( 6.085 1.322 -0.365) 6.237 5.108 ( -5.228 -4.380 3.540) 7.685 5.269 ( -7.382 -1.463 -4.655) 8.849 5.475 ( -3.557 -1.726 -1.688) 4.299 6.314 ( 4.742 2.605 -2.113) 5.809 6.486 ( 2.902 4.490 -0.160) 5.349 6.789 ( -2.205 -3.849 -1.820) 4.794 6.926 ( -4.705 -0.228 -1.783) 5.037 7.726 ( 3.376 -11.583 7.802) 14.367 8.019 ( -7.592 9.692 -12.756) 17.728 8.150 ( -6.338 -0.283 6.227) 8.889 8.759 ( -6.326 -3.750 2.235) 7.686 9.211 ( 4.670 -4.585 -2.338) 6.950 9.388 ( -2.458 -0.043 -3.625) 4.380 9.618 ( -0.025 -3.092 -2.171) 3.778 9.808 ( 8.556 12.860 -3.793) 15.905 10.759 ( 10.187 -4.600 2.953) 11.561 10.802 ( 0.754 8.555 -0.952) 8.641 10.974 ( 11.779 7.822 -2.507) 14.361 11.485 ( -4.075 4.374 1.138) 6.085 11.769 ( -7.790 -9.371 -9.239) 15.293 12.185 ( -5.358 -1.278 0.515) 5.533 12.424 ( -11.118 -8.218 2.445) 14.040 13.452 ( 12.233 9.255 -1.171) 15.384 13.647 ( 8.363 11.403 2.780) 14.411 13.760 ( 5.700 1.375 -0.645) 5.899 14.470 ( -1.706 -2.631 2.831) 4.224 14.610 ( -5.907 -5.106 1.847) 8.023 14.985 ( -2.401 -0.004 11.390) 11.640 15.211 ( 1.926 -2.193 -8.521) 9.007 15.615 ( -5.873 -4.587 -4.261) 8.584 15.759 ( 3.092 1.076 0.644) 3.337 15.973 ( -0.634 -0.191 -0.439) 0.794 16.225 ( 2.951 0.618 0.351) 3.035 16.532 ( -1.479 -11.157 2.998) 11.647 16.837 ( -2.165 8.267 -3.474) 9.225 17.166 ( -12.988 -7.640 1.662) 15.160 19.301 ( 20.249 12.352 3.670) 24.002 ======================= Grid point 372 (111/131) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -3.908 -2.672 9.132) 10.286 1.755 ( -1.974 -8.374 6.320) 10.675 1.989 ( -20.031 -5.445 3.912) 21.123 2.033 ( -1.772 -0.871 -5.116) 5.484 3.069 ( 5.655 1.634 9.426) 11.113 4.339 ( 17.882 9.200 0.838) 20.128 4.397 ( 14.531 9.819 -0.517) 17.545 4.824 ( 1.727 -0.682 -0.681) 1.978 4.941 ( -8.159 -5.853 2.733) 10.406 5.079 ( -11.014 -3.704 -4.070) 12.312 5.444 ( 0.514 -0.029 -3.808) 3.842 6.407 ( 3.004 2.292 -1.870) 4.216 6.496 ( -2.651 -1.062 -0.693) 2.939 6.772 ( 2.978 -2.485 -2.016) 4.372 6.843 ( -5.039 0.810 -1.861) 5.432 7.682 ( 4.495 -10.905 10.857) 16.031 7.919 ( -20.935 7.742 6.948) 23.377 8.043 ( -1.340 1.939 -6.537) 6.949 8.342 ( -14.285 -17.175 -15.490) 27.184 9.348 ( 9.162 2.390 2.871) 9.895 9.457 ( 2.894 5.313 -1.860) 6.329 9.582 ( -1.001 -3.015 -1.134) 3.373 10.104 ( 11.301 9.306 -2.376) 14.832 10.785 ( 0.082 -0.070 0.797) 0.804 10.830 ( -1.552 0.874 -2.892) 3.397 11.192 ( 0.486 -4.198 0.815) 4.303 11.599 ( 10.407 13.108 -1.824) 16.836 11.740 ( 8.004 -0.068 -3.004) 8.549 12.087 ( -4.357 -2.590 -0.816) 5.134 12.152 ( -11.112 -6.345 2.386) 13.016 13.710 ( 7.504 8.445 -0.107) 11.298 13.827 ( 3.015 -1.999 0.025) 3.617 14.015 ( 16.494 13.625 7.415) 22.643 14.420 ( -1.078 -2.581 0.571) 2.854 14.491 ( -3.089 -2.867 4.766) 6.362 14.917 ( -4.978 -2.259 14.382) 15.386 15.189 ( -3.802 -3.146 -9.986) 11.139 15.443 ( -5.096 -3.850 -9.752) 11.657 15.824 ( 2.432 1.570 1.107) 3.099 15.928 ( -3.534 -2.045 -0.108) 4.084 16.144 ( -6.825 -5.240 -0.768) 8.638 16.417 ( -2.113 -2.268 0.194) 3.106 16.889 ( 1.180 2.668 0.038) 2.918 16.965 ( -4.486 -2.979 0.860) 5.453 19.716 ( 13.685 8.151 2.042) 16.059 ======================= Grid point 374 (112/131) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 1.235 4.035 9.208) 10.128 1.807 ( 3.622 6.743 9.601) 12.278 2.027 ( 1.521 -0.567 -3.150) 3.543 2.437 ( 14.820 26.996 -1.076) 30.816 2.921 ( -5.693 -9.870 10.343) 15.388 4.035 ( -10.091 -19.260 0.887) 21.762 4.100 ( -11.544 -17.088 -0.557) 20.630 4.843 ( 2.261 -1.933 0.226) 2.983 4.991 ( -0.453 2.424 1.940) 3.138 5.263 ( 5.117 10.124 -4.135) 12.074 5.450 ( 0.672 2.236 -1.676) 2.874 6.313 ( -2.620 -5.997 -3.612) 7.475 6.632 ( 6.638 -1.612 3.003) 7.462 6.637 ( -8.723 3.864 -1.475) 9.654 6.951 ( 3.967 4.364 -4.547) 7.447 7.610 ( 1.649 0.536 10.158) 10.305 8.051 ( -3.173 3.949 -4.138) 6.541 8.319 ( 11.491 0.031 -17.138) 20.634 8.613 ( 11.886 25.401 4.356) 28.381 9.199 ( -3.370 -9.818 5.068) 11.551 9.379 ( -5.526 -2.429 -3.859) 7.164 9.548 ( -0.734 -1.893 0.008) 2.031 9.975 ( -5.820 -4.908 -5.752) 9.542 10.672 ( -6.101 -11.296 4.181) 13.503 10.824 ( -1.724 0.535 -3.609) 4.035 11.247 ( 12.216 -7.771 1.554) 14.561 11.426 ( -21.147 -1.219 -4.099) 21.575 11.636 ( 7.340 2.648 -5.742) 9.689 12.216 ( 1.793 11.053 1.144) 11.256 12.344 ( 10.218 7.006 -0.410) 12.396 13.595 ( -5.002 -7.575 -4.654) 10.201 13.671 ( -8.844 -13.214 3.325) 16.244 13.831 ( -3.141 -7.641 -2.003) 8.501 14.454 ( 2.728 2.846 3.338) 5.166 14.545 ( 2.226 4.743 4.427) 6.859 14.987 ( 1.832 3.013 13.786) 14.230 15.181 ( -1.807 -2.224 -8.583) 9.049 15.560 ( 4.308 7.454 -3.983) 9.486 15.772 ( -2.016 -3.155 1.185) 3.927 15.973 ( 1.104 1.712 -0.958) 2.251 16.207 ( -0.261 0.760 2.664) 2.783 16.431 ( 0.726 -0.812 4.236) 4.374 16.954 ( 1.377 8.229 -4.572) 9.514 17.054 ( 6.257 5.964 0.808) 8.681 19.432 ( -11.097 -19.225 2.757) 22.369 ======================= Grid point 375 (113/131) ======================= q-point: ( 0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.567 1.630 9.304) 9.463 1.941 ( 5.938 -0.521 2.152) 6.338 2.102 ( 5.376 4.838 4.804) 8.683 2.718 ( -3.087 -11.641 9.373) 15.261 3.009 ( 18.194 26.791 -0.127) 32.385 3.628 ( -14.548 -16.696 1.031) 22.169 3.719 ( -11.842 -16.942 0.330) 20.673 4.769 ( -10.754 1.400 0.323) 10.849 5.035 ( 8.248 -6.669 3.117) 11.055 5.443 ( 3.878 9.197 -4.128) 10.802 5.503 ( 2.075 2.896 0.300) 3.576 6.215 ( -1.418 -7.161 -4.192) 8.418 6.421 ( -9.798 -4.452 1.085) 10.817 6.794 ( 4.117 6.567 1.118) 7.831 7.072 ( 3.548 6.166 -4.500) 8.417 7.725 ( 9.287 1.747 6.636) 11.548 8.046 ( -2.057 5.603 -6.244) 8.638 8.424 ( -0.590 3.080 -12.587) 12.972 8.824 ( 0.493 -7.176 -5.788) 9.232 9.037 ( -4.409 -7.504 2.698) 9.112 9.427 ( 5.297 6.681 2.708) 8.946 9.488 ( -1.926 -5.085 1.598) 5.667 9.801 ( -11.560 5.501 -0.310) 12.806 10.489 ( 1.936 -15.080 3.797) 15.671 10.764 ( -3.479 -3.624 -6.421) 8.153 11.043 ( -21.803 4.035 -5.290) 22.795 11.391 ( 11.682 -10.043 -5.054) 16.213 11.943 ( 14.737 17.539 -2.464) 23.040 12.367 ( 2.407 12.064 -1.588) 12.403 12.606 ( 11.763 5.457 -1.051) 13.010 13.309 ( -15.456 -6.191 -2.364) 16.817 13.476 ( -1.414 -10.306 -5.117) 11.593 13.690 ( -6.088 -6.118 -1.445) 8.751 14.543 ( 3.557 3.103 1.728) 5.027 14.671 ( 5.656 5.732 6.026) 10.057 15.038 ( 0.816 2.110 13.324) 13.515 15.132 ( 0.285 -1.912 -5.968) 6.273 15.636 ( -1.658 -1.059 0.375) 2.003 15.735 ( 1.394 -0.167 0.290) 1.434 15.990 ( -0.244 -0.352 -1.202) 1.276 16.115 ( -5.731 -6.706 2.966) 9.307 16.409 ( 2.888 -9.578 7.642) 12.588 17.036 ( -6.061 16.843 -3.824) 18.304 17.348 ( 17.194 7.385 -1.074) 18.744 18.996 ( -16.001 -17.924 3.279) 24.249 ======================= Grid point 376 (114/131) ======================= q-point: ( 0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -2.031 -1.413 7.869) 8.249 2.009 ( 5.206 -4.142 0.698) 6.689 2.231 ( 3.775 0.699 8.589) 9.408 2.682 ( 10.384 -3.753 7.763) 13.497 3.223 ( -12.779 -16.153 2.398) 20.735 3.339 ( -8.551 -10.258 0.883) 13.384 3.613 ( 16.591 21.517 -0.102) 27.171 4.521 ( -18.056 -0.251 0.506) 18.065 5.117 ( 8.856 -7.853 4.952) 12.830 5.508 ( -2.870 4.299 -0.034) 5.169 5.633 ( 6.935 4.137 -1.651) 8.242 6.106 ( -2.572 -7.869 -4.948) 9.645 6.254 ( -4.952 -1.082 -0.696) 5.116 6.904 ( 0.942 6.351 1.220) 6.536 7.180 ( 0.808 6.654 -2.578) 7.181 7.909 ( 6.469 2.621 0.850) 7.031 8.119 ( 3.996 6.597 -6.258) 9.932 8.327 ( -12.195 2.505 -7.705) 14.641 8.761 ( 4.103 -9.384 -7.616) 12.764 8.902 ( -0.503 -10.310 -4.287) 11.177 9.282 ( -9.383 0.329 3.430) 9.996 9.611 ( 3.349 3.140 6.431) 7.902 9.745 ( -3.481 6.710 3.018) 8.139 10.407 ( 1.321 -9.777 2.321) 10.135 10.655 ( -2.406 -4.463 -12.737) 13.709 10.772 ( -13.671 4.798 -3.901) 15.004 11.461 ( 8.209 -9.826 -7.031) 14.607 12.342 ( 7.084 14.560 3.460) 16.558 12.564 ( 8.255 10.405 -9.267) 16.195 12.847 ( 9.514 4.353 -1.069) 10.517 13.024 ( -11.252 -3.486 -4.314) 12.545 13.351 ( -2.901 -8.086 -3.426) 9.248 13.519 ( -5.027 -5.890 -2.321) 8.084 14.649 ( 4.226 4.618 2.358) 6.689 14.817 ( 4.007 4.816 6.928) 9.341 15.023 ( -2.875 -0.835 8.399) 8.917 15.201 ( 6.287 2.359 0.728) 6.754 15.567 ( -1.466 -3.319 -0.293) 3.640 15.738 ( -1.568 -1.867 1.710) 2.978 15.888 ( -6.202 -8.351 1.293) 10.482 15.994 ( -1.577 -0.696 -0.107) 1.727 16.360 ( 5.028 -12.932 7.460) 15.753 17.093 ( -7.866 18.629 -3.866) 20.588 17.737 ( 18.129 7.329 0.672) 19.566 18.545 ( -16.128 -15.084 3.165) 22.308 ======================= Grid point 377 (115/131) ======================= q-point: ( 0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.331 -1.695 7.408) 7.607 2.028 ( 2.293 -5.917 2.555) 6.841 2.303 ( 6.268 -1.082 8.176) 10.359 2.819 ( -9.245 -15.636 4.486) 18.710 2.973 ( 15.807 1.611 4.865) 16.617 3.173 ( 0.838 -4.767 0.764) 4.900 4.098 ( 5.189 14.842 1.237) 15.771 4.146 ( -15.358 2.530 -0.502) 15.573 5.164 ( 5.885 -9.415 6.382) 12.806 5.481 ( -3.413 2.788 0.392) 4.424 5.765 ( 2.250 2.028 -0.849) 3.146 5.991 ( 0.287 -6.510 -6.749) 9.382 6.242 ( 1.538 3.585 -0.724) 3.968 6.952 ( -1.379 3.884 1.035) 4.250 7.212 ( -4.500 5.313 -2.562) 7.419 7.936 ( -4.972 -0.380 0.196) 4.990 8.150 ( -6.200 4.285 -8.455) 11.327 8.285 ( 1.368 4.990 -5.770) 7.750 8.723 ( 5.281 -11.014 -3.257) 12.642 8.855 ( 6.065 -8.577 -7.127) 12.694 9.266 ( -1.292 14.843 4.816) 15.658 9.625 ( -1.554 -1.914 3.982) 4.683 9.764 ( -2.178 5.310 1.776) 6.008 10.316 ( -0.837 -6.958 1.762) 7.227 10.622 ( 1.782 -5.003 -10.131) 11.439 10.695 ( -1.349 9.278 -7.880) 12.247 11.486 ( 6.051 -10.020 -6.793) 13.533 12.468 ( -3.558 8.326 2.581) 9.415 12.744 ( -6.647 0.450 -4.768) 8.192 12.861 ( 3.205 3.650 -5.408) 7.269 12.975 ( -1.483 -2.717 -4.112) 5.147 13.277 ( 4.245 0.219 -1.393) 4.473 13.430 ( 1.066 -5.441 -4.464) 7.118 14.719 ( -3.639 2.265 7.519) 8.655 14.895 ( 0.221 2.752 6.741) 7.284 14.978 ( 0.985 0.303 4.411) 4.530 15.304 ( 0.611 -1.275 0.044) 1.414 15.528 ( 0.125 -2.079 1.498) 2.566 15.696 ( 4.068 -0.436 3.594) 5.446 15.761 ( -1.182 -4.359 -0.720) 4.573 15.981 ( 0.242 0.335 -0.078) 0.421 16.331 ( 6.476 -12.704 6.945) 15.861 17.133 ( -9.090 18.411 -4.295) 20.977 18.075 ( -0.522 -4.399 2.609) 5.141 18.180 ( 3.662 -2.305 2.258) 4.881 ======================= Grid point 379 (116/131) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 4.989 0.839 5.363) 7.372 1.973 ( -0.924 -6.740 4.686) 8.261 2.348 ( -9.167 0.158 4.714) 10.309 2.555 ( 6.324 -12.516 10.071) 17.264 3.283 ( 13.589 0.963 0.979) 13.659 3.339 ( 19.396 3.136 1.608) 19.714 3.628 ( -28.664 -4.164 -0.372) 28.967 4.494 ( 9.140 15.573 1.357) 18.108 5.128 ( 2.649 -11.483 5.708) 13.094 5.457 ( -3.313 3.381 -1.185) 4.880 5.698 ( -6.745 -2.406 -2.451) 7.569 6.049 ( 8.060 -1.124 -5.938) 10.074 6.348 ( 5.335 4.134 1.781) 6.981 6.926 ( -4.067 -0.200 0.614) 4.118 7.140 ( -8.079 3.842 -5.407) 10.453 7.798 ( -7.308 -2.082 4.390) 8.776 8.147 ( 0.452 1.002 -5.020) 5.139 8.268 ( -5.386 5.428 -11.302) 13.646 8.772 ( 4.535 -1.578 4.105) 6.317 8.924 ( 10.833 -6.229 -6.943) 14.295 9.444 ( 1.997 11.025 3.145) 11.637 9.559 ( -0.762 -4.798 1.114) 4.984 9.781 ( -2.050 8.119 -1.611) 8.527 10.276 ( 4.781 -6.547 3.863) 8.981 10.653 ( 6.143 -1.531 -10.362) 12.142 10.844 ( 3.816 12.937 -8.093) 15.730 11.466 ( 4.436 -11.985 -4.957) 13.707 12.378 ( -15.732 -1.933 -5.008) 16.623 12.511 ( -13.091 4.745 4.284) 14.568 12.796 ( -9.590 -7.146 -0.193) 11.961 13.050 ( 9.266 5.929 -8.245) 13.747 13.430 ( 5.161 -3.602 -5.284) 8.217 13.465 ( 10.295 3.245 -1.998) 10.977 14.608 ( -6.973 -0.214 7.358) 10.139 14.851 ( -6.061 -0.886 4.545) 7.627 15.039 ( 1.624 1.331 7.765) 8.045 15.193 ( -3.953 -5.584 -2.397) 7.249 15.592 ( 4.698 2.841 2.285) 5.947 15.719 ( 0.213 -2.603 -0.137) 2.616 15.867 ( 10.118 2.312 3.402) 10.922 16.010 ( 2.674 1.005 -0.849) 2.980 16.334 ( 7.479 -10.501 7.254) 14.793 17.140 ( -10.549 16.690 -4.760) 20.310 17.710 ( -15.698 -13.232 1.409) 20.579 18.548 ( 20.840 6.398 3.221) 22.036 ======================= Grid point 380 (117/131) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -3.058 -5.434 8.363) 10.432 1.889 ( 2.171 0.550 1.749) 2.842 2.097 ( -11.135 -2.260 6.002) 12.850 2.704 ( 13.409 -2.144 8.758) 16.158 3.026 ( -32.607 -3.631 0.044) 32.808 3.622 ( 20.832 4.147 0.693) 21.252 3.737 ( 21.162 0.862 0.183) 21.181 4.740 ( 3.709 10.781 1.905) 11.559 5.052 ( 1.748 -10.214 2.945) 10.773 5.409 ( -6.499 2.806 -3.506) 7.899 5.548 ( -6.587 -2.767 -1.671) 7.337 6.185 ( 7.789 -0.172 -5.516) 9.546 6.492 ( 7.031 2.443 3.903) 8.404 6.808 ( -7.087 -3.198 -0.796) 7.815 7.039 ( -6.903 2.764 -6.040) 9.580 7.668 ( -4.584 -2.211 7.180) 8.801 8.123 ( -1.676 -2.673 -3.569) 4.764 8.290 ( -3.241 10.599 -13.714) 17.633 8.829 ( 1.271 1.269 9.205) 9.379 9.055 ( 8.634 -3.895 -5.389) 10.898 9.445 ( -6.337 -2.166 1.040) 6.777 9.517 ( 2.541 -4.263 -1.225) 5.112 9.882 ( 0.966 9.338 -4.480) 10.402 10.398 ( 16.185 -4.055 5.191) 17.474 10.770 ( 6.099 0.548 -8.870) 10.779 11.058 ( 2.889 16.512 -5.466) 17.631 11.414 ( 5.668 -13.746 -1.714) 14.967 11.942 ( -23.389 -5.413 -6.078) 24.764 12.392 ( -10.904 7.103 1.294) 13.077 12.541 ( -10.922 -6.149 1.713) 12.651 13.317 ( 13.218 8.102 -5.329) 16.394 13.506 ( 8.934 -5.229 -4.453) 11.269 13.673 ( 8.456 3.550 -1.697) 9.326 14.514 ( -4.345 0.814 5.306) 6.906 14.690 ( -8.355 -3.350 4.262) 9.959 15.032 ( -2.416 0.599 12.508) 12.753 15.145 ( 2.104 -2.268 -6.798) 7.469 15.678 ( -2.789 -2.396 -0.254) 3.685 15.696 ( 3.933 1.882 1.059) 4.487 15.980 ( 0.949 1.109 0.531) 1.553 16.130 ( 8.303 0.476 1.197) 8.403 16.382 ( 6.748 -5.288 7.841) 11.618 17.095 ( -12.057 13.188 -5.263) 18.628 17.307 ( -14.459 -12.466 0.412) 19.095 18.996 ( 23.473 4.884 3.316) 24.204 ======================= Grid point 385 (118/131) ======================= q-point: ( 0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -1.857 -3.533 9.989) 10.757 1.913 ( 2.596 0.475 5.347) 5.963 2.266 ( -1.939 9.431 9.729) 13.688 2.495 ( 2.125 -8.559 9.356) 12.857 3.273 ( -11.477 -16.440 2.405) 20.194 3.366 ( -8.524 -14.356 1.315) 16.747 3.587 ( 14.519 25.951 0.864) 29.749 4.787 ( 1.054 -4.451 4.589) 6.479 4.887 ( -5.281 -3.968 2.735) 7.149 5.541 ( 6.029 1.848 -1.376) 6.455 5.619 ( -1.607 7.214 -2.452) 7.786 6.061 ( -2.255 -7.837 -6.451) 10.398 6.331 ( -6.846 -4.440 2.377) 8.499 6.951 ( 4.591 8.020 -0.675) 9.266 7.188 ( 4.256 5.183 -4.688) 8.182 7.813 ( 8.135 6.759 2.606) 10.893 8.133 ( 0.493 3.403 -5.854) 6.789 8.423 ( 6.296 -2.176 -13.090) 14.687 8.698 ( -9.160 -4.680 -1.151) 10.351 8.840 ( -6.618 -11.915 -5.137) 14.565 9.434 ( -5.040 3.566 2.519) 6.668 9.580 ( 5.156 3.794 7.118) 9.573 9.884 ( -4.131 1.137 0.484) 4.311 10.242 ( 3.987 -7.443 2.328) 8.759 10.637 ( -4.009 -7.661 -13.868) 16.343 11.074 ( -7.438 -5.063 -3.503) 9.656 11.209 ( -0.247 -3.265 -11.122) 11.594 12.341 ( 10.672 19.071 -3.058) 22.066 12.614 ( 3.073 10.433 -1.752) 11.016 12.710 ( 8.924 6.038 0.531) 10.788 13.139 ( -5.788 -10.055 -7.357) 13.738 13.321 ( -5.585 -4.410 -7.324) 10.212 13.523 ( -4.267 -9.990 -2.209) 11.085 14.623 ( 4.534 5.299 5.498) 8.880 14.828 ( 3.389 8.897 6.880) 11.746 15.054 ( -0.920 -0.848 10.434) 10.509 15.140 ( 2.573 2.801 -0.082) 3.804 15.589 ( -4.392 -3.130 2.072) 5.778 15.722 ( 1.382 -1.462 1.348) 2.422 15.894 ( -5.321 -10.181 3.365) 11.970 16.020 ( -1.572 -1.213 0.096) 1.988 16.231 ( -2.857 -7.046 6.687) 10.126 17.409 ( -4.139 17.246 0.901) 17.759 17.470 ( 17.186 6.509 -3.737) 18.754 18.614 ( -11.324 -19.392 2.811) 22.632 ======================= Grid point 386 (119/131) ======================= q-point: ( 0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -1.057 -4.141 12.750) 13.447 1.972 ( 1.463 1.264 7.969) 8.200 2.186 ( -0.205 -5.051 12.433) 13.422 2.675 ( 13.265 3.063 6.454) 15.066 2.924 ( -11.324 -11.162 4.312) 16.475 3.117 ( -3.252 -10.467 2.127) 11.165 4.100 ( 13.333 24.374 2.282) 27.876 4.542 ( -21.520 1.542 3.367) 21.837 4.901 ( 10.394 -13.773 5.350) 18.065 5.605 ( -4.777 5.863 -0.242) 7.567 5.693 ( 6.746 2.126 -1.961) 7.339 5.937 ( -2.110 -8.839 -5.376) 10.558 6.229 ( -0.824 -1.646 -1.693) 2.501 7.078 ( -1.401 9.699 -0.909) 9.842 7.271 ( 1.176 1.855 -1.721) 2.791 8.004 ( 2.090 7.234 -2.302) 7.874 8.246 ( 7.032 6.643 -6.419) 11.609 8.381 ( -11.212 2.706 -8.011) 14.043 8.525 ( -0.425 -14.366 -6.612) 15.820 8.659 ( 3.398 -10.853 -7.896) 13.845 9.441 ( -2.294 11.668 5.204) 12.981 9.656 ( -0.642 1.227 7.730) 7.853 9.827 ( -1.758 -0.146 2.530) 3.085 10.264 ( 1.787 -3.170 1.921) 4.115 10.523 ( 0.571 -7.114 -17.380) 18.789 10.875 ( -10.150 5.569 -7.948) 14.043 11.228 ( 8.138 -12.255 -10.566) 18.112 12.603 ( 0.957 10.602 0.650) 10.665 12.757 ( 4.078 7.392 -9.383) 12.622 12.895 ( 3.176 -0.972 -0.354) 3.340 12.966 ( -3.728 -0.725 -9.391) 10.129 13.219 ( -0.403 -3.747 -3.984) 5.484 13.360 ( -2.288 -8.998 -3.242) 9.834 14.771 ( 3.599 7.159 8.128) 11.413 14.949 ( 0.184 7.158 8.686) 11.257 14.995 ( -3.103 -2.290 9.554) 10.303 15.259 ( 5.451 3.433 2.946) 7.084 15.494 ( -1.727 -4.428 1.061) 4.870 15.677 ( -4.166 -5.129 5.337) 8.494 15.722 ( -0.047 -5.444 0.235) 5.449 15.999 ( -1.174 1.104 1.083) 1.942 16.150 ( 2.072 -7.726 5.025) 9.446 17.478 ( -8.353 18.972 -0.808) 20.745 17.843 ( 18.994 3.211 0.205) 19.265 18.224 ( -12.246 -16.447 1.851) 20.589 ======================= Grid point 387 (120/131) ======================= q-point: (-0.56 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 2.952 -0.356 12.551) 12.899 1.953 ( -2.544 -0.444 8.697) 9.072 2.254 ( 11.027 -5.095 12.325) 17.305 2.586 ( -13.815 -3.548 5.967) 15.461 2.994 ( 16.050 -1.075 4.524) 16.710 3.097 ( 9.582 -1.618 1.870) 9.896 4.112 ( -27.683 -0.466 2.292) 27.781 4.525 ( 8.976 20.059 3.382) 22.235 4.907 ( 7.191 -15.519 5.563) 17.986 5.570 ( -4.951 5.553 -0.765) 7.479 5.752 ( -3.177 -4.464 -2.011) 5.836 5.904 ( 7.926 -0.758 -5.405) 9.623 6.252 ( 4.459 -1.603 -1.033) 4.850 7.077 ( -7.651 5.962 -0.873) 9.738 7.267 ( -2.849 0.341 -2.468) 3.784 7.970 ( -10.505 3.575 -0.655) 11.116 8.220 ( -7.667 1.308 -8.105) 11.233 8.382 ( -1.344 4.622 -11.074) 12.075 8.541 ( 15.367 -3.626 -3.572) 16.188 8.677 ( 8.484 -9.371 -5.703) 13.868 9.539 ( -2.167 4.149 8.230) 9.468 9.587 ( -4.204 2.939 2.868) 5.877 9.840 ( 2.504 1.220 1.519) 3.173 10.222 ( -2.757 -1.175 2.786) 4.092 10.516 ( 5.440 -3.544 -17.189) 18.374 10.902 ( 2.512 10.648 -8.536) 13.876 11.224 ( 6.486 -13.795 -10.055) 18.261 12.610 ( -8.944 3.810 -3.352) 10.283 12.756 ( -8.915 2.250 -0.156) 9.196 12.873 ( -4.464 -4.282 -3.608) 7.161 12.958 ( 4.786 3.571 -10.539) 12.113 13.283 ( 3.901 -6.894 -6.660) 10.349 13.316 ( 9.307 1.975 -1.250) 9.596 14.759 ( -8.883 1.341 9.863) 13.341 14.963 ( -5.161 2.695 7.197) 9.257 15.002 ( 4.061 1.098 9.398) 10.296 15.244 ( -6.399 -2.627 1.907) 7.176 15.513 ( 5.833 -1.008 3.354) 6.804 15.679 ( 6.385 -0.218 0.203) 6.392 15.705 ( 3.483 -1.091 4.234) 5.590 16.003 ( -0.008 1.457 1.186) 1.879 16.144 ( 5.047 -5.414 4.832) 8.839 17.498 ( -10.415 17.189 -1.075) 20.127 17.820 ( -13.403 -15.058 0.463) 20.164 18.230 ( 20.105 1.866 1.834) 20.275 ======================= Grid point 391 (121/131) ======================= q-point: (-0.11 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -2.293 6.674 4.972) 8.633 1.966 ( -6.516 8.503 -4.006) 11.437 2.043 ( -1.273 2.426 -5.222) 5.897 2.274 ( -11.387 20.356 13.143) 26.772 3.027 ( 0.656 -1.121 1.590) 2.053 4.059 ( 11.719 -17.903 -1.368) 21.441 4.084 ( 9.086 -17.693 1.073) 19.919 4.885 ( -1.644 0.415 -3.543) 3.927 5.013 ( -2.225 1.339 -0.069) 2.598 5.198 ( -2.830 9.430 1.742) 9.999 5.458 ( -0.830 1.849 -2.387) 3.131 6.278 ( 5.448 -6.779 -0.024) 8.697 6.613 ( -8.369 1.628 -0.201) 8.528 6.729 ( 5.923 0.355 -5.721) 8.243 6.878 ( -1.081 2.621 2.332) 3.671 7.795 ( 4.642 5.082 -1.908) 7.142 7.992 ( -16.065 -1.472 4.529) 16.756 8.014 ( 4.726 5.898 2.681) 8.019 8.769 ( -13.957 15.743 -9.594) 23.123 9.303 ( 0.639 0.044 -0.008) 0.641 9.349 ( 3.193 -5.376 -4.970) 7.987 9.537 ( 6.604 -3.451 0.157) 7.453 9.896 ( 3.536 -7.614 1.776) 8.580 10.670 ( 7.488 -7.878 3.175) 11.323 10.818 ( 0.836 -0.609 -1.992) 2.245 11.255 ( 11.391 -14.541 3.756) 18.849 11.374 ( -8.540 -4.730 -3.768) 10.464 11.652 ( 3.206 8.865 -5.065) 10.701 12.249 ( -7.383 7.307 -2.149) 10.608 12.333 ( -6.560 10.541 0.624) 12.431 13.508 ( 7.842 -9.082 3.637) 12.539 13.648 ( 9.772 -20.199 6.263) 23.296 13.811 ( 2.392 -4.025 -1.205) 4.834 14.486 ( -3.142 3.270 0.071) 4.535 14.580 ( -3.019 6.112 1.159) 6.915 14.960 ( -0.937 1.733 11.348) 11.518 15.235 ( 0.006 1.019 -8.881) 8.939 15.592 ( -5.593 8.756 -6.721) 12.374 15.774 ( 2.088 -2.531 1.042) 3.443 15.971 ( -1.364 1.667 -0.829) 2.308 16.238 ( 0.078 0.679 -0.102) 0.691 16.533 ( -3.924 8.059 -5.555) 10.546 16.855 ( -1.648 0.190 4.592) 4.883 17.053 ( -3.363 6.974 1.122) 7.824 19.420 ( 11.435 -19.832 3.812) 23.207 ======================= Grid point 395 (122/131) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.000 -0.000 15.289) 15.289 2.055 ( -3.142 -6.283 12.229) 14.103 2.055 ( 3.142 6.283 12.229) 14.103 2.776 ( -3.199 -6.398 5.361) 8.938 2.776 ( 3.199 6.398 5.361) 8.938 2.981 ( 0.000 -0.000 3.099) 3.099 4.520 ( 0.000 0.000 7.280) 7.280 4.577 ( -5.338 -10.675 2.820) 12.264 4.577 ( 5.338 10.675 2.820) 12.264 5.730 ( -1.234 -2.468 -1.686) 3.234 5.730 ( 1.234 2.468 -1.686) 3.234 5.764 ( 0.000 0.000 -2.469) 2.469 6.207 ( -0.000 -0.000 -4.464) 4.464 7.238 ( -2.340 -4.679 -0.776) 5.289 7.238 ( 2.340 4.679 -0.776) 5.289 8.212 ( -5.775 -11.550 -4.345) 13.624 8.212 ( 5.775 11.550 -4.345) 13.624 8.395 ( 0.000 -0.000 -9.054) 9.054 8.454 ( -3.694 -7.389 -7.982) 11.487 8.454 ( 3.694 7.389 -7.982) 11.487 9.590 ( -0.000 -0.000 11.396) 11.396 9.729 ( -3.454 -6.908 2.282) 8.053 9.729 ( 3.454 6.908 2.282) 8.053 10.259 ( -0.000 0.000 2.615) 2.615 10.440 ( -0.000 -0.000 -20.050) 20.050 11.009 ( -3.743 -7.485 -10.748) 13.622 11.009 ( 3.743 7.485 -10.748) 13.622 12.738 ( -0.000 -0.000 -1.921) 1.921 12.834 ( -0.369 -0.737 -6.665) 6.716 12.834 ( 0.369 0.737 -6.665) 6.716 12.991 ( -0.000 -0.000 -10.399) 10.399 13.215 ( -1.212 -2.423 -1.760) 3.231 13.215 ( 1.212 2.423 -1.760) 3.231 14.911 ( -2.715 -5.430 11.502) 13.006 14.911 ( 2.715 5.430 11.502) 13.006 15.037 ( -0.000 0.000 8.020) 8.020 15.366 ( -3.386 -6.772 3.177) 8.211 15.366 ( 3.386 6.772 3.177) 8.211 15.600 ( -0.000 -0.000 1.640) 1.640 15.684 ( -0.000 -0.000 2.402) 2.402 16.042 ( -1.496 -2.992 2.748) 4.330 16.042 ( 1.496 2.992 2.748) 4.330 17.775 ( 0.000 -0.000 3.475) 3.475 17.914 ( -4.799 -9.599 -0.824) 10.763 17.914 ( 4.799 9.599 -0.824) 10.763 ======================= Grid point 401 (123/131) ======================= q-point: (-0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.142 6.077 -0.194) 6.081 2.079 ( -3.071 1.143 -10.286) 10.795 2.200 ( -5.748 13.294 -3.040) 14.799 2.591 ( -7.717 -0.551 12.691) 14.863 3.168 ( -9.984 20.147 -6.765) 23.481 3.648 ( 14.568 -14.490 -1.734) 20.620 3.737 ( 10.835 -16.902 0.202) 20.077 4.803 ( 12.238 3.425 -4.010) 13.326 5.114 ( -10.696 -5.908 -2.905) 12.560 5.335 ( -2.612 7.694 3.795) 8.968 5.509 ( -2.387 2.523 1.464) 3.769 6.112 ( 4.077 -9.334 1.767) 10.337 6.600 ( 6.803 -2.144 -6.289) 9.509 6.786 ( -6.736 4.332 0.942) 8.064 6.917 ( -0.879 3.140 4.873) 5.863 7.836 ( -4.544 2.887 -5.650) 7.804 7.995 ( 4.278 7.352 7.714) 11.483 8.160 ( -5.724 -4.886 -3.102) 8.140 8.920 ( -3.434 -10.792 1.043) 11.373 9.073 ( 12.535 -10.134 -7.411) 17.741 9.462 ( -2.772 -1.081 2.186) 3.692 9.509 ( -5.644 12.942 -3.464) 14.537 9.799 ( 8.558 4.538 3.555) 10.318 10.453 ( 1.373 -15.299 1.859) 15.473 10.702 ( 6.583 -8.916 -3.740) 11.697 10.946 ( 15.220 2.942 4.712) 16.202 11.378 ( -7.986 -15.637 0.424) 17.563 11.948 ( -13.302 19.561 -4.719) 24.122 12.429 ( -3.039 11.710 -2.499) 12.353 12.583 ( -11.411 5.699 -2.153) 12.935 13.195 ( 13.290 -10.555 5.592) 17.869 13.416 ( -0.118 -12.569 3.915) 13.165 13.669 ( 7.370 -6.381 -0.753) 9.777 14.583 ( -3.286 4.691 -1.961) 6.054 14.730 ( -5.531 8.013 0.952) 9.783 14.994 ( -1.727 0.938 7.485) 7.739 15.235 ( 1.335 2.716 -7.184) 7.796 15.705 ( 2.938 -2.181 0.632) 3.713 15.741 ( -2.806 4.519 -6.021) 8.034 16.001 ( -0.429 0.276 -1.817) 1.888 16.146 ( 6.261 -5.480 -0.199) 8.323 16.559 ( -0.575 -7.567 -9.332) 12.029 16.959 ( 4.744 18.228 7.928) 20.435 17.292 ( -17.549 5.017 2.041) 18.366 18.977 ( 15.708 -18.735 5.148) 24.985 ======================= Grid point 402 (124/131) ======================= q-point: (-0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -1.588 7.577 -1.767) 7.941 2.030 ( -3.337 -1.122 -8.680) 9.366 2.182 ( -8.311 10.328 -1.698) 13.365 2.620 ( 5.267 8.814 11.467) 15.392 3.159 ( -12.947 17.912 -7.429) 23.316 3.658 ( 5.244 -20.162 -1.709) 20.903 3.725 ( 9.499 -17.913 -0.329) 20.278 4.802 ( -10.478 -8.309 -2.819) 13.667 5.087 ( 8.902 5.049 -1.279) 10.314 5.363 ( -3.237 7.056 3.026) 8.332 5.512 ( -0.111 3.311 -0.510) 3.351 6.146 ( 8.660 -6.626 2.113) 11.107 6.488 ( -6.067 -9.362 -5.170) 12.296 6.822 ( 0.451 5.325 -1.935) 5.683 6.972 ( -0.031 6.350 4.886) 8.012 7.887 ( 4.528 3.644 -7.735) 9.676 7.979 ( -11.065 1.863 1.926) 11.385 8.158 ( 3.866 6.321 9.836) 12.314 8.724 ( -1.501 -11.425 3.449) 12.028 9.156 ( 9.427 -12.202 -7.803) 17.281 9.443 ( 0.741 -2.064 1.372) 2.587 9.568 ( -2.441 12.077 -6.204) 13.795 9.803 ( -7.339 -2.063 -0.590) 7.646 10.495 ( 14.219 -8.099 4.791) 17.051 10.722 ( 4.890 -8.419 -4.787) 10.849 10.962 ( -10.543 -12.985 3.448) 17.078 11.322 ( 14.803 0.408 0.825) 14.832 11.980 ( -6.032 20.598 -5.028) 22.044 12.368 ( -11.511 5.616 -1.756) 12.928 12.585 ( -1.356 12.758 0.996) 12.869 13.262 ( 3.554 -16.364 2.220) 16.892 13.361 ( 10.870 -6.108 5.316) 13.555 13.687 ( 2.746 -7.986 -0.934) 8.497 14.557 ( -4.365 4.042 0.331) 5.958 14.733 ( -3.562 8.511 -0.437) 9.236 14.996 ( -0.064 2.418 7.096) 7.497 15.258 ( -1.678 1.798 -7.669) 8.054 15.673 ( -1.087 -3.124 -2.900) 4.399 15.765 ( -1.142 3.099 -2.434) 4.103 15.982 ( -1.004 -0.940 -0.278) 1.403 16.160 ( 2.399 -7.000 -1.583) 7.567 16.590 ( 9.342 -2.259 -9.951) 13.834 16.920 ( -19.521 4.290 7.123) 21.218 17.306 ( 3.416 17.932 3.347) 18.559 18.976 ( 8.337 -23.070 5.181) 25.071 ======================= Grid point 411 (125/131) ======================= q-point: (-0.33 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 3.078 5.529 -6.520) 9.086 2.142 ( -2.177 1.479 -10.871) 11.185 2.414 ( -0.997 11.344 -1.619) 11.502 2.658 ( -10.195 -4.588 -0.490) 11.191 3.305 ( 9.511 -9.071 -1.354) 13.213 3.368 ( 11.928 -14.004 -0.842) 18.414 3.674 ( -15.999 24.807 -4.057) 29.797 4.551 ( 19.448 1.567 -4.019) 19.920 5.225 ( -8.097 -5.956 -2.641) 10.393 5.431 ( -0.905 4.908 1.049) 5.100 5.598 ( -5.360 2.221 6.063) 8.392 5.955 ( 2.434 -10.167 3.104) 10.906 6.450 ( 8.534 -0.312 -7.500) 11.366 6.904 ( -4.148 -0.892 2.175) 4.768 7.008 ( -2.463 9.106 6.981) 11.736 7.956 ( -2.990 2.107 -9.884) 10.539 8.045 ( -3.383 5.616 8.986) 11.124 8.125 ( 1.252 -4.059 -2.320) 4.840 8.781 ( 4.591 -11.604 2.047) 12.646 8.841 ( 0.784 -12.417 1.036) 12.485 9.508 ( 5.077 4.712 0.238) 6.930 9.577 ( 2.314 2.069 -1.500) 3.448 9.756 ( 1.830 8.903 -0.175) 9.091 10.374 ( -5.074 -7.989 -2.542) 9.800 10.506 ( 3.024 -10.303 1.107) 10.794 10.747 ( 10.766 2.583 0.765) 11.098 11.373 ( -8.358 -14.625 3.120) 17.131 12.323 ( -7.884 12.731 0.417) 14.981 12.615 ( -5.874 9.970 -5.501) 12.813 12.807 ( -6.985 1.860 0.822) 7.275 12.921 ( 5.632 -7.085 2.187) 9.311 13.336 ( -2.294 -8.431 3.392) 9.373 13.453 ( 8.517 -6.582 -0.345) 10.769 14.712 ( -3.860 8.152 -3.158) 9.557 14.884 ( -2.041 6.585 1.743) 7.111 15.039 ( -1.165 2.138 3.358) 4.148 15.264 ( -1.378 4.119 -5.310) 6.860 15.639 ( 2.360 -0.853 -1.437) 2.891 15.767 ( 2.671 -0.380 -4.282) 5.061 15.919 ( 6.311 -6.272 -2.194) 9.165 16.027 ( 2.115 0.729 -2.654) 3.471 16.493 ( -4.613 -12.479 -8.044) 15.547 17.019 ( 9.995 19.962 6.994) 23.394 17.689 ( -20.173 5.617 3.449) 21.222 18.527 ( 15.482 -15.811 5.243) 22.741 ======================= Grid point 412 (126/131) ======================= q-point: (-0.22 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 1.385 4.684 -9.106) 10.333 2.109 ( -4.212 2.509 -12.513) 13.440 2.420 ( -9.694 5.317 -5.206) 12.221 2.579 ( 4.944 3.863 0.488) 6.293 3.334 ( 8.480 -16.348 -3.250) 18.701 3.397 ( 8.504 -14.944 -1.328) 17.246 3.663 ( -15.805 26.309 -5.447) 31.171 4.885 ( 4.906 0.794 -4.491) 6.698 4.959 ( -2.398 -6.501 -4.035) 8.019 5.481 ( -1.451 6.969 4.982) 8.689 5.550 ( -2.184 1.513 3.192) 4.153 5.939 ( 6.155 -7.929 4.683) 11.076 6.443 ( -0.146 -9.767 -8.057) 12.662 6.919 ( -3.095 7.213 1.737) 8.039 7.051 ( -1.284 8.148 8.219) 11.645 7.919 ( -2.707 5.010 -6.772) 8.849 8.101 ( -1.964 -0.023 -1.955) 2.772 8.145 ( 4.823 6.662 12.399) 14.879 8.644 ( -4.519 -14.813 3.186) 15.812 8.802 ( 11.641 -14.611 -1.567) 18.747 9.462 ( -4.283 0.545 1.199) 4.481 9.727 ( -0.300 7.059 -6.886) 9.866 9.871 ( 0.564 1.384 1.707) 2.269 10.256 ( 3.759 -3.366 3.647) 6.226 10.499 ( 7.594 -9.890 -4.024) 13.102 10.996 ( 4.080 -1.564 8.654) 9.694 11.062 ( 1.693 -11.601 -2.147) 11.919 12.319 ( -8.169 15.808 -0.766) 17.810 12.601 ( -8.329 4.370 -0.104) 9.407 12.735 ( -3.371 9.333 -1.547) 10.043 12.984 ( 9.743 -9.878 6.640) 15.381 13.225 ( 0.007 -5.838 1.742) 6.092 13.518 ( 6.565 -8.211 -0.958) 10.556 14.706 ( -6.138 7.810 -2.773) 10.313 14.905 ( -5.176 8.814 -0.673) 10.244 15.032 ( -0.899 2.614 3.514) 4.471 15.304 ( -0.133 4.265 -7.065) 8.253 15.629 ( 0.053 -5.180 -1.698) 5.452 15.803 ( 0.617 1.257 -5.804) 5.971 15.934 ( 3.773 -8.168 -0.656) 9.021 16.060 ( 1.166 -1.251 -3.902) 4.261 16.393 ( 5.813 -7.700 -8.979) 13.179 17.331 ( -14.024 11.071 7.179) 19.255 17.413 ( -0.599 13.180 3.125) 13.558 18.582 ( 11.309 -19.883 5.790) 23.595 ======================= Grid point 413 (127/131) ======================= q-point: (-0.11 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -7.166 -3.307 -8.170) 11.359 2.091 ( -0.869 5.771 -6.959) 9.083 2.367 ( -3.827 6.404 -4.889) 8.919 2.739 ( 4.473 7.856 1.933) 9.244 3.285 ( 5.646 -16.828 -3.303) 18.055 3.362 ( 4.162 -14.167 -1.048) 14.803 3.663 ( -12.753 25.490 -4.390) 28.839 4.561 ( -12.154 -15.586 -3.186) 20.020 5.189 ( 8.646 4.631 -1.381) 9.905 5.467 ( -4.438 2.500 3.671) 6.279 5.601 ( 2.726 5.951 1.657) 6.752 5.996 ( 9.280 -8.339 3.910) 13.075 6.334 ( -4.461 -4.521 -7.496) 9.825 6.904 ( -0.330 2.777 0.886) 2.934 7.100 ( -3.408 5.026 5.246) 8.024 7.922 ( -3.807 1.644 0.674) 4.201 8.086 ( -1.633 4.952 -2.450) 5.762 8.196 ( -1.506 -2.219 3.451) 4.370 8.588 ( 8.769 0.803 7.998) 11.895 8.889 ( 14.268 -13.550 -2.886) 19.887 9.358 ( -6.907 -3.326 -3.009) 8.235 9.719 ( -3.435 1.518 -2.810) 4.690 9.799 ( -7.184 0.912 -3.077) 7.869 10.391 ( 8.045 -1.784 8.230) 11.646 10.537 ( 6.651 -8.381 -7.128) 12.856 10.750 ( -5.499 -8.016 -0.634) 9.741 11.346 ( 16.669 1.260 3.581) 17.095 12.383 ( -3.347 17.182 2.006) 17.620 12.467 ( -9.349 3.675 -1.945) 10.232 12.820 ( 0.046 9.910 0.389) 9.918 12.998 ( 3.307 -9.553 -0.558) 10.124 13.268 ( 8.645 -3.436 3.891) 10.084 13.511 ( 2.679 -8.701 -1.339) 9.202 14.666 ( -6.217 6.796 0.770) 9.242 14.892 ( -4.452 6.460 -1.430) 7.975 15.051 ( -0.836 1.944 3.235) 3.865 15.322 ( -2.880 4.561 -7.454) 9.201 15.568 ( 0.212 -5.561 -0.830) 5.626 15.803 ( -1.526 0.561 -4.287) 4.585 15.892 ( 1.273 -8.737 1.026) 8.888 16.039 ( -0.520 -2.964 -4.231) 5.192 16.525 ( 14.097 -3.144 -8.377) 16.697 16.987 ( -22.485 2.483 6.070) 23.422 17.702 ( 4.256 20.102 4.242) 20.981 18.523 ( 6.023 -21.522 5.278) 22.964 ======================= Grid point 419 (128/131) ======================= q-point: (-0.44 0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 2.652 7.439 -8.849) 11.860 2.163 ( 1.298 0.054 -10.103) 10.186 2.437 ( 3.234 2.274 -4.939) 6.327 2.898 ( -11.281 -1.302 -2.867) 11.712 3.035 ( 5.745 -6.604 -0.927) 8.802 3.194 ( -2.593 -2.355 -1.271) 3.727 4.159 ( 23.100 1.474 -4.409) 23.563 4.177 ( -10.303 20.542 -3.208) 23.204 5.254 ( -2.535 -7.011 -1.398) 7.585 5.474 ( 0.519 3.252 1.519) 3.626 5.696 ( -0.971 -1.269 5.364) 5.597 5.862 ( -5.849 -7.639 3.740) 10.322 6.327 ( 5.341 2.009 -8.105) 9.912 6.933 ( -0.770 -1.457 2.334) 2.858 7.123 ( 0.931 7.865 6.379) 10.169 7.969 ( 3.075 1.034 0.368) 3.265 8.057 ( -0.191 3.467 -2.268) 4.148 8.205 ( -2.518 0.529 1.170) 2.826 8.666 ( -5.469 -12.810 1.537) 14.013 8.715 ( -3.340 -11.103 5.506) 12.836 9.371 ( 10.693 8.383 -4.129) 14.200 9.669 ( -4.416 2.732 1.139) 5.316 9.802 ( 2.836 7.022 -2.750) 8.057 10.404 ( -1.257 -6.426 4.396) 7.887 10.420 ( -5.768 -3.811 -4.119) 8.047 10.658 ( 1.157 2.382 -2.242) 3.469 11.365 ( -7.597 -14.534 4.148) 16.916 12.473 ( 1.189 7.612 1.538) 7.857 12.667 ( 8.776 -6.093 2.831) 11.053 12.812 ( -6.704 3.373 -2.042) 7.777 12.966 ( -2.055 -2.512 -1.066) 3.416 13.249 ( 1.453 -5.136 1.673) 5.594 13.379 ( -5.235 -2.272 -0.143) 5.708 14.786 ( 6.029 4.971 1.067) 7.886 14.953 ( 0.467 4.614 -0.949) 4.734 15.052 ( 1.784 3.295 -1.351) 3.982 15.351 ( -2.352 3.037 -4.085) 5.607 15.569 ( 5.413 -3.111 -2.231) 6.630 15.723 ( -4.501 1.109 0.584) 4.672 15.819 ( 1.664 -0.627 -5.734) 6.003 16.015 ( 0.767 1.605 -3.343) 3.787 16.481 ( -8.329 -12.477 -7.587) 16.811 17.022 ( 12.129 19.243 6.368) 23.621 18.057 ( -3.993 -2.808 4.340) 6.531 18.152 ( -1.117 -5.543 4.942) 7.510 ======================= Grid point 421 (129/131) ======================= q-point: (-0.33 0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.414 3.640 -14.842) 15.347 2.191 ( -0.311 4.748 -13.872) 14.665 2.475 ( 0.708 -6.022 -8.884) 10.756 2.701 ( -9.157 9.550 -5.038) 14.158 3.082 ( 6.891 -12.654 -3.637) 14.860 3.134 ( 3.341 -7.647 -1.756) 8.527 4.196 ( -13.927 25.528 -5.292) 29.557 4.616 ( 23.188 3.903 -5.195) 24.081 5.028 ( -10.685 -13.830 -5.388) 18.289 5.539 ( 1.479 5.744 2.254) 6.345 5.639 ( -5.413 1.761 8.777) 10.461 5.777 ( 3.625 -7.320 5.829) 10.035 6.332 ( 0.794 -8.498 -8.358) 11.946 7.015 ( 2.572 9.737 4.912) 11.205 7.175 ( -3.139 5.400 6.412) 8.951 8.027 ( -0.322 4.614 -4.809) 6.673 8.116 ( 0.339 4.532 1.485) 4.781 8.155 ( -2.111 4.321 9.973) 11.072 8.497 ( 4.074 -15.810 -0.346) 16.330 8.567 ( -1.609 -13.011 4.188) 13.763 9.586 ( -4.945 4.023 5.462) 8.394 9.665 ( 10.038 5.216 -3.204) 11.757 9.873 ( -0.313 0.557 -1.662) 1.780 10.253 ( -3.648 -7.586 6.302) 10.516 10.355 ( 0.026 0.441 -9.746) 9.756 10.790 ( 10.578 1.693 2.199) 10.936 11.060 ( -9.214 -14.864 5.163) 18.235 12.529 ( -2.977 7.590 2.826) 8.629 12.737 ( -2.214 0.646 1.585) 2.799 12.761 ( 4.609 -5.269 7.247) 10.076 12.878 ( -4.324 3.225 -2.047) 5.770 13.218 ( -2.777 -2.674 -0.021) 3.855 13.327 ( 5.046 -5.636 -1.668) 7.747 14.903 ( -3.368 9.685 -3.879) 10.963 15.010 ( 1.868 5.502 0.972) 5.891 15.095 ( -2.174 2.714 -1.117) 3.653 15.355 ( -0.774 5.202 -6.182) 8.117 15.591 ( -0.641 -4.266 -3.871) 5.796 15.699 ( 5.744 -6.182 -1.135) 8.515 15.825 ( 0.664 -2.114 -7.477) 7.798 16.056 ( 1.195 2.150 -4.106) 4.787 16.270 ( -2.076 -9.291 -7.434) 12.079 17.426 ( 10.927 20.005 5.842) 23.531 17.776 ( -21.331 3.134 4.817) 22.091 18.191 ( 11.873 -17.456 5.663) 21.857 ======================= Grid point 422 (130/131) ======================= q-point: (-0.22 0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -1.886 -0.687 -15.070) 15.203 2.188 ( -5.470 3.334 -12.490) 14.037 2.426 ( 1.265 0.045 -10.579) 10.654 2.778 ( 2.146 11.446 -3.390) 12.129 3.021 ( 3.950 -13.504 -4.729) 14.843 3.158 ( 6.310 -7.626 -1.811) 10.062 4.184 ( -15.973 24.308 -5.420) 29.587 4.635 ( -14.723 -18.323 -5.238) 24.082 5.012 ( 16.907 3.559 -4.836) 17.941 5.557 ( -5.055 -0.062 5.060) 7.153 5.628 ( 1.536 6.554 4.230) 7.950 5.786 ( 5.362 -7.160 7.318) 11.557 6.302 ( 3.647 -2.928 -8.181) 9.423 7.020 ( -9.098 2.322 4.335) 10.342 7.193 ( -1.022 4.222 6.129) 7.512 8.002 ( -4.202 3.059 -1.390) 5.380 8.178 ( -1.178 5.478 0.169) 5.605 8.202 ( -3.196 -3.245 9.042) 10.124 8.421 ( 9.945 -4.692 2.859) 11.362 8.544 ( 9.973 -7.578 1.447) 12.609 9.508 ( -8.363 4.711 0.500) 9.611 9.759 ( -2.982 -5.099 -0.358) 5.918 9.869 ( 1.658 0.465 -1.574) 2.333 10.244 ( 7.407 -0.559 7.231) 10.366 10.382 ( 2.156 -0.870 -9.706) 9.980 10.782 ( -7.107 -8.242 1.702) 11.015 11.054 ( 16.691 1.107 5.414) 17.582 12.567 ( -1.484 8.755 3.105) 9.407 12.621 ( -6.996 -1.249 3.891) 8.102 12.832 ( 5.856 -5.024 4.332) 8.848 12.896 ( 0.373 4.595 -1.005) 4.718 13.174 ( 0.262 1.090 -0.180) 1.136 13.359 ( 4.951 -6.833 -1.963) 8.664 14.876 ( -8.446 7.601 -1.888) 11.518 15.039 ( -5.685 2.098 -2.289) 6.478 15.085 ( -0.280 2.865 0.227) 2.888 15.401 ( -1.738 3.269 -8.234) 9.028 15.520 ( 0.284 -2.576 -1.465) 2.977 15.738 ( 5.430 -8.342 -1.254) 10.033 15.815 ( 0.135 -0.477 -7.299) 7.316 16.054 ( -2.426 0.099 -4.421) 5.044 16.278 ( 9.806 -3.357 -7.552) 12.824 17.412 ( -23.028 1.833 5.498) 23.747 17.793 ( 8.086 19.383 5.189) 21.633 18.185 ( 8.866 -19.402 5.619) 22.059 ======================= Grid point 431 (131/131) ======================= q-point: (-0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.000 0.000 -18.228) 18.228 2.330 ( -3.315 -6.629 -13.962) 15.807 2.330 ( 3.315 6.629 -13.962) 15.807 2.884 ( -3.125 -6.249 -4.875) 8.519 2.884 ( 3.125 6.249 -4.875) 8.520 3.036 ( -0.000 -0.000 -2.143) 2.143 4.666 ( -5.679 -11.358 -5.500) 13.839 4.666 ( 5.679 11.358 -5.500) 13.839 4.676 ( -0.000 0.000 -7.159) 7.159 5.643 ( 0.000 0.000 9.187) 9.187 5.661 ( -1.042 -2.083 4.962) 5.482 5.661 ( 1.042 2.083 4.962) 5.482 6.230 ( 0.000 0.000 -7.177) 7.177 7.181 ( -2.183 -4.366 4.916) 6.928 7.181 ( 2.183 4.366 4.916) 6.928 8.158 ( -3.869 -7.738 2.285) 8.948 8.158 ( 3.869 7.738 2.286) 8.948 8.193 ( -0.000 0.000 9.803) 9.803 8.345 ( -3.588 -7.175 0.310) 8.028 8.345 ( 3.588 7.175 0.311) 8.028 9.665 ( -0.000 -0.000 9.304) 9.304 9.771 ( -2.699 -5.398 -1.438) 6.205 9.771 ( 2.699 5.399 -1.438) 6.205 10.165 ( -0.000 -0.000 1.077) 1.077 10.405 ( 0.000 -0.000 -10.843) 10.843 10.843 ( -2.488 -4.976 5.123) 7.563 10.843 ( 2.488 4.976 5.123) 7.563 12.625 ( -0.000 0.000 5.876) 5.876 12.702 ( -1.340 -2.679 5.054) 5.875 12.702 ( 1.340 2.679 5.054) 5.875 12.928 ( 0.000 -0.000 -1.311) 1.311 13.231 ( -1.829 -3.657 -2.314) 4.698 13.231 ( 1.829 3.657 -2.314) 4.698 15.047 ( -1.739 -3.478 -2.234) 4.484 15.047 ( 1.739 3.478 -2.234) 4.484 15.125 ( -0.000 0.000 -0.772) 0.772 15.479 ( -2.422 -4.843 -6.814) 8.703 15.479 ( 2.422 4.843 -6.814) 8.704 15.609 ( -0.000 0.000 -0.144) 0.144 15.806 ( -0.000 -0.000 -8.244) 8.244 16.125 ( -2.296 -4.591 -5.572) 7.576 16.125 ( 2.296 4.591 -5.572) 7.576 17.778 ( -0.000 -0.000 3.212) 3.212 17.837 ( -5.390 -10.780 6.619) 13.750 17.837 ( 5.390 10.780 6.619) 13.750 =================== 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 3/32805 10.0 4323.872 4323.872 2554.573 -0.000 0.000 -0.000 3/32805 20.0 561.766 561.766 400.249 -0.000 -0.000 -0.000 3/32805 30.0 276.690 276.690 192.218 -0.000 -0.000 -0.000 3/32805 40.0 166.173 166.173 110.653 -0.000 -0.000 -0.000 3/32805 50.0 107.542 107.542 68.970 -0.000 -0.000 -0.000 3/32805 60.0 74.219 74.219 46.046 -0.000 -0.000 -0.000 3/32805 70.0 54.236 54.236 32.705 -0.000 -0.000 -0.000 3/32805 80.0 41.569 41.569 24.461 -0.000 -0.000 -0.000 3/32805 90.0 33.112 33.112 19.068 -0.000 -0.000 -0.000 3/32805 100.0 27.202 27.202 15.360 -0.000 -0.000 -0.000 3/32805 110.0 22.911 22.911 12.704 -0.000 -0.000 -0.000 3/32805 120.0 19.692 19.692 10.737 -0.000 -0.000 -0.000 3/32805 130.0 17.209 17.209 9.241 -0.000 -0.000 -0.000 3/32805 140.0 15.250 15.250 8.075 -0.000 -0.000 -0.000 3/32805 150.0 13.672 13.672 7.148 -0.000 -0.000 -0.000 3/32805 160.0 12.380 12.380 6.400 -0.000 -0.000 -0.000 3/32805 170.0 11.305 11.305 5.786 -0.000 -0.000 -0.000 3/32805 180.0 10.399 10.399 5.275 -0.000 -0.000 -0.000 3/32805 190.0 9.627 9.627 4.844 -0.000 -0.000 -0.000 3/32805 200.0 8.961 8.961 4.478 -0.000 -0.000 -0.000 3/32805 210.0 8.382 8.382 4.163 -0.000 -0.000 -0.000 3/32805 220.0 7.874 7.874 3.890 -0.000 -0.000 -0.000 3/32805 230.0 7.426 7.426 3.650 -0.000 -0.000 -0.000 3/32805 240.0 7.026 7.026 3.439 -0.000 -0.000 -0.000 3/32805 250.0 6.669 6.669 3.252 -0.000 -0.000 -0.000 3/32805 260.0 6.347 6.347 3.085 -0.000 -0.000 -0.000 3/32805 270.0 6.056 6.056 2.935 -0.000 -0.000 -0.000 3/32805 280.0 5.791 5.791 2.799 -0.000 -0.000 -0.000 3/32805 290.0 5.549 5.549 2.676 -0.000 -0.000 -0.000 3/32805 300.0 5.327 5.327 2.563 -0.000 -0.000 -0.000 3/32805 310.0 5.123 5.123 2.460 -0.000 -0.000 -0.000 3/32805 320.0 4.934 4.934 2.366 -0.000 -0.000 -0.000 3/32805 330.0 4.760 4.760 2.279 -0.000 -0.000 -0.000 3/32805 340.0 4.597 4.597 2.198 -0.000 -0.000 -0.000 3/32805 350.0 4.446 4.446 2.123 -0.000 -0.000 -0.000 3/32805 360.0 4.305 4.305 2.053 -0.000 -0.000 -0.000 3/32805 370.0 4.173 4.173 1.988 -0.000 -0.000 -0.000 3/32805 380.0 4.049 4.049 1.927 -0.000 -0.000 -0.000 3/32805 390.0 3.932 3.932 1.870 -0.000 -0.000 -0.000 3/32805 400.0 3.822 3.822 1.816 -0.000 -0.000 -0.000 3/32805 410.0 3.718 3.718 1.766 -0.000 -0.000 -0.000 3/32805 420.0 3.620 3.620 1.718 -0.000 -0.000 -0.000 3/32805 430.0 3.527 3.527 1.673 -0.000 -0.000 -0.000 3/32805 440.0 3.439 3.439 1.630 -0.000 -0.000 -0.000 3/32805 450.0 3.356 3.356 1.590 -0.000 -0.000 -0.000 3/32805 460.0 3.276 3.276 1.552 -0.000 -0.000 -0.000 3/32805 470.0 3.201 3.201 1.515 -0.000 -0.000 -0.000 3/32805 480.0 3.128 3.128 1.480 -0.000 -0.000 -0.000 3/32805 490.0 3.059 3.059 1.447 -0.000 -0.000 -0.000 3/32805 500.0 2.994 2.994 1.415 -0.000 -0.000 -0.000 3/32805 510.0 2.931 2.931 1.385 -0.000 -0.000 -0.000 3/32805 520.0 2.870 2.870 1.356 -0.000 -0.000 -0.000 3/32805 530.0 2.812 2.812 1.329 -0.000 -0.000 -0.000 3/32805 540.0 2.757 2.757 1.302 -0.000 -0.000 -0.000 3/32805 550.0 2.703 2.703 1.277 -0.000 -0.000 -0.000 3/32805 560.0 2.652 2.652 1.252 -0.000 -0.000 -0.000 3/32805 570.0 2.603 2.603 1.228 -0.000 -0.000 -0.000 3/32805 580.0 2.555 2.555 1.206 -0.000 -0.000 -0.000 3/32805 590.0 2.510 2.510 1.184 -0.000 -0.000 -0.000 3/32805 600.0 2.466 2.466 1.163 -0.000 -0.000 -0.000 3/32805 610.0 2.423 2.423 1.143 -0.000 -0.000 -0.000 3/32805 620.0 2.382 2.382 1.123 -0.000 -0.000 -0.000 3/32805 630.0 2.343 2.343 1.104 -0.000 -0.000 -0.000 3/32805 640.0 2.304 2.304 1.086 -0.000 -0.000 -0.000 3/32805 650.0 2.267 2.267 1.069 -0.000 -0.000 -0.000 3/32805 660.0 2.231 2.231 1.052 -0.000 -0.000 -0.000 3/32805 670.0 2.197 2.197 1.035 -0.000 -0.000 -0.000 3/32805 680.0 2.163 2.163 1.019 -0.000 -0.000 -0.000 3/32805 690.0 2.130 2.130 1.004 -0.000 -0.000 -0.000 3/32805 700.0 2.099 2.099 0.989 -0.000 -0.000 -0.000 3/32805 710.0 2.068 2.068 0.974 -0.000 -0.000 -0.000 3/32805 720.0 2.038 2.038 0.960 -0.000 -0.000 -0.000 3/32805 730.0 2.009 2.009 0.946 -0.000 -0.000 -0.000 3/32805 740.0 1.981 1.981 0.933 -0.000 -0.000 -0.000 3/32805 750.0 1.954 1.954 0.920 -0.000 -0.000 -0.000 3/32805 760.0 1.927 1.927 0.907 -0.000 -0.000 -0.000 3/32805 770.0 1.901 1.901 0.895 -0.000 -0.000 -0.000 3/32805 780.0 1.876 1.876 0.883 -0.000 -0.000 -0.000 3/32805 790.0 1.852 1.852 0.872 -0.000 -0.000 -0.000 3/32805 800.0 1.828 1.828 0.860 -0.000 -0.000 -0.000 3/32805 810.0 1.805 1.805 0.849 -0.000 -0.000 -0.000 3/32805 820.0 1.782 1.782 0.839 -0.000 -0.000 -0.000 3/32805 830.0 1.760 1.760 0.828 -0.000 -0.000 -0.000 3/32805 840.0 1.738 1.738 0.818 -0.000 -0.000 -0.000 3/32805 850.0 1.717 1.717 0.808 -0.000 -0.000 -0.000 3/32805 860.0 1.697 1.697 0.798 -0.000 -0.000 -0.000 3/32805 870.0 1.677 1.677 0.789 -0.000 -0.000 -0.000 3/32805 880.0 1.657 1.657 0.780 -0.000 -0.000 -0.000 3/32805 890.0 1.638 1.638 0.771 -0.000 -0.000 -0.000 3/32805 900.0 1.620 1.620 0.762 -0.000 -0.000 -0.000 3/32805 910.0 1.601 1.601 0.753 -0.000 -0.000 -0.000 3/32805 920.0 1.584 1.584 0.745 -0.000 -0.000 -0.000 3/32805 930.0 1.566 1.566 0.737 -0.000 -0.000 -0.000 3/32805 940.0 1.549 1.549 0.729 -0.000 -0.000 -0.000 3/32805 950.0 1.533 1.533 0.721 -0.000 -0.000 -0.000 3/32805 960.0 1.516 1.516 0.713 -0.000 -0.000 -0.000 3/32805 970.0 1.500 1.500 0.706 -0.000 -0.000 -0.000 3/32805 980.0 1.485 1.485 0.698 -0.000 -0.000 -0.000 3/32805 990.0 1.469 1.469 0.691 -0.000 -0.000 -0.000 3/32805 1000.0 1.454 1.454 0.684 -0.000 -0.000 -0.000 3/32805 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:25:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|